CFD-ACE V2009.0 Modules Manual Part1

ESI CFD Inc.
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Huntsville, AL 35806
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Software Support: support.cfd@esi-group-na.com
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CFD-ACE+ V2009.0
Modules Manual Part 1

Table Of Contents
About ESI GROUP .......................................................................................................................... 1
Copyright Information................................................................................................................... 1
About CFD-ACE+ ............................................................................................................................ 3
New Features and Improvements - V2009.0................................................................................... 6
CFD-ACE-SOVLER - V2009.0.1.................................................................................................. 6
Fast Time Stepping (FTS) Enhancements............................................................................... 6
Force and Moment Coefficients on Specified Surfaces........................................................... 6
Forces and Moments for Momentum Resistance .................................................................... 7
V2F Model Enhancement......................................................................................................... 7
Two-Phase Model Improvement .............................................................................................. 8
Two Phase Porous Media ........................................................................................................ 8
CFD-ACE-GUI - V2009.0.1.......................................................................................................... 9
ESI Mobile Support .................................................................................................................. 9
Using Help ..................................................................................................................................... 10
Getting Started............................................................................................................................... 11
How to execute the software: ................................................................................................. 11
How to add shortcuts to the Start Menu: ................................................................................ 11
How to Report Problems ............................................................................................................... 13
Flow Module .................................................................................................................................. 14
Flow Module Introduction to Flow Module ................................................................................. 14
Flow Module Applications of the Flow Module........................................................................... 14
Flow Visualization................................................................................................................... 14
Pressure Field Calculations.................................................................................................... 14
Mass Flow Calculations.......................................................................................................... 14
Multi-Physics Applications...................................................................................................... 14
Flow Module Features and Limitations of the Flow Module ...................................................... 15
Features ................................................................................................................................. 15
Non-Newtonian Viscosity Options ...................................................................................... 15
Swirl Model ......................................................................................................................... 15
Slip Wall Boundary Conditions ........................................................................................... 15
Hemolysis Model ................................................................................................................ 15
Simple Flow Models............................................................................................................ 16
Limitations .............................................................................................................................. 16
Theory........................................................................................................................................ 16
Flow Module Flow Module Theory ......................................................................................... 16
Mass Conservation
[1]
.......................................................................................................... 16
Momentum Conservation
[1]
................................................................................................. 17
Navier-Stokes Equations
[1]
.................................................................................................. 17
Flow Module Simple Flow Model Theory ............................................................................... 19
Second Order Wall Model................................................................................................... 19
One Cell Wall Model ........................................................................................................... 19
Flow Module Slip Wall Theory................................................................................................ 20
Model Setup............................................................................................................................... 21
Flow Module Implementation and Grid Generation................................................................ 21
Flow Module Problem Type.................................................................................................... 22
Model Options ........................................................................................................................ 22
Flow Module Model Options - Shared Tab......................................................................... 22
Flow Module Model Options - Flow Tab............................................................................. 22
Flow Module Model Options - Advanced Tab..................................................................... 23
Flow Module Volume Conditions............................................................................................ 24
Fluid Properties ...................................................................................................................... 25
Density................................................................................................................................ 25
Viscosity.............................................................................................................................. 27
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Table Of Contents
Boundary Conditions.............................................................................................................. 33
Flow Module Boundary Conditions..................................................................................... 33
Flow Module Boundary Conditions - Inlets......................................................................... 33
Flow Module Boundary Conditions - Outlets ...................................................................... 36
Flow Module Boundary Conditions - Walls and Rotating Walls ......................................... 38
Flow Module Boundary Conditions - Symmetry ................................................................. 39
Flow Module Boundary Conditions - Interfaces.................................................................. 39
Flow Module Boundary Conditions - Thin Walls................................................................. 39
Flow Module Boundary Conditions - Cyclic/Periodic.......................................................... 39
Flow Module Initial Conditions................................................................................................ 39
Flow Module Solver Control Settings ..................................................................................... 40
Spatial Differencing Tab ..................................................................................................... 40
Solver Selection.................................................................................................................. 40
Relaxation Parameters ....................................................................................................... 40
Variable Limits .................................................................................................................... 40
Advanced Settings.............................................................................................................. 41
Flow Module Output Options.................................................................................................. 41
Output ................................................................................................................................. 41
Printed Output..................................................................................................................... 42
Graphical Output................................................................................................................. 42
Flow Module Post Processing.................................................................................................... 42
Flow Module Frequently Asked Questions ................................................................................ 44
Flow Module Examples.............................................................................................................. 53
Flow Module References ........................................................................................................... 53
Heat Transfer Module.................................................................................................................... 55
Heat Transfer Module Introduction to the Heat Module............................................................. 55
Heat Transfer Module Applications............................................................................................ 55
Thermal Field Calculations..................................................................................................... 55
Heat Transfer Calculations..................................................................................................... 55
Pure Conduction Problems .................................................................................................... 55
Conjugate Heat Transfer Problems........................................................................................ 56
Natural Convection Problems................................................................................................. 56
Multi-Physics Applications...................................................................................................... 56
Heat Transfer Module Features and Limitations of the Heat Module........................................ 56
Features ................................................................................................................................. 56
Ice Melting........................................................................................................................... 56
Solidification........................................................................................................................ 56
Moving Solids ..................................................................................................................... 57
Wall Heat Sources.............................................................................................................. 57
Limitations .............................................................................................................................. 57
Heat Transfer Module Theory.................................................................................................... 57
Heat Module Model Setup ......................................................................................................... 58
Heat Transfer Module Implementation and Grid Generation................................................. 58
Heat Transfer Module Problem Type..................................................................................... 58
Heat Transfer Module Model Options-Shared Tab................................................................ 59
Heat Transfer Module Model Options-Heat Tab .................................................................... 59
Ice Melting........................................................................................................................... 59
Solidification........................................................................................................................ 59
Moving Solid ....................................................................................................................... 59
Heat Module Volume Conditions............................................................................................ 60
Heat Transfer Module Volume Conditions.......................................................................... 60
Heat Transfer Module Volume Conditions-Ice Melting Properties ..................................... 65
Heat Transfer Module Volume Conditions-Solidification Properties .................................. 65
Heat Transfer Module Volume Conditions-Moving Solid Properties .................................. 65
Boundary Conditions.............................................................................................................. 66
Heat Transfer Module Boundary Conditions-Introduction .................................................. 66
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CFD-ACE_V2009.0_Modules_Manual_Part1
Heat Transfer Module Boundary Conditions-Inlets/Outlets................................................ 66
Heat Transfer Module Boundary Conditions-Walls/Rotating Walls.................................... 66
Heat Transfer Module Boundary Conditions-Symmetry..................................................... 70
Heat Transfer Module Boundary Conditions-Interfaces ..................................................... 71
Heat Transfer Module Boundary Conditions-Thin Walls .................................................... 71
Heat Transfer Module Boundary Conditions-Cyclic ........................................................... 71
Heat Transfer Module Initial Conditions................................................................................. 71
Heat Transfer Module Solver Control Settings....................................................................... 71
Spatial Differencing Scheme .............................................................................................. 71
Solver Selection.................................................................................................................. 72
Relaxation Parameters ....................................................................................................... 72
Variable Limits .................................................................................................................... 72
Advanced Settings.............................................................................................................. 72
Heat Transfer Module Output Options ................................................................................... 73
Output ................................................................................................................................. 73
Printed Output..................................................................................................................... 73
Graphical Output................................................................................................................. 74
Heat Transfer Module Post Processing..................................................................................... 74
Heat Module Frequently Asked Questions ................................................................................ 75
Heat Transfer Module Examples ............................................................................................... 76
Heat Transfer Module References............................................................................................. 76
Turbulence Module........................................................................................................................ 77
Turbulence Module Introduction ................................................................................................ 77
Turbulence Module Applications................................................................................................ 77
Turbulence Module Features..................................................................................................... 77
Turbulence-Theory..................................................................................................................... 78
Turbulence Module Theory-Introduction ................................................................................ 78
Reynolds Averaged Navier-Stokes Simulations..................................................................... 79
Turbulence Module Theory-Standard k-c Model ................................................................ 79
Turbulence Module Theory-RNG k-c Model ....................................................................... 81
Turbulence Module Theory-Kato-Launder k-c Model ......................................................... 82
Turbulence Module Theory-Low Reynolds Number k-c Model (Chien) ............................. 82
Turbulence Module Theory-Two-Layer k-c Model .............................................................. 83
Turbulence Module Theory-k-e Model ............................................................................... 84
Turbulence Module Theory-k-e SST Model ....................................................................... 85
Turbulence Module Theory-Spalart-Allmaras Model .......................................................... 87
Turbulence Module Theory - V2F Model ............................................................................ 88
Turbulence Module Theory - Modified V2F Model ............................................................. 89
Large Eddy Simulations ......................................................................................................... 90
Turbulence Module Theory-Large Eddy Simulations Introduction ..................................... 90
Turbulence Module Theory-Large Eddy Simulations-SGS Models Introduction................ 90
Turbulence Module Theory-Large Eddy Simulations-SGS Models-Smagorinsky Model... 90
Turbulence Module Theory-Large Eddy Simulations-SGS Models-Germano's Dynamic
Subgrid-Scale Model .......................................................................................................... 91
Turbulence Module Theory-Large Eddy Simulations-SGS Models-Menon's Localized
Dynamic Subgrid-Scale Model (LDKM).............................................................................. 91
Transition Models................................................................................................................... 93
Turbulence Theory Transition Models Introduction............................................................ 93
Turbulence Theory Transport Equation for Intermittency................................................... 93
Turbulence Theory Transport Equation for Transition Momentum Thickness Reynolds
Number ............................................................................................................................... 95
Turbulence Theory Correction for Separation Induced Transition ..................................... 96
Turbulence Theory Coupling with Turbulence Model ......................................................... 97
Transition Models-Empirical Correlations........................................................................... 98
Turbulence Module Constant Turbulent Viscosity................................................................ 100
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Table Of Contents
Turbulence Module User Defined Turbulent Viscosity......................................................... 100
Turbulence Module Turbulence in Porous Media ................................................................ 100
Turbulence Module Wall Functions...................................................................................... 101
Non-Equilibrium Model (Pressure gradient sensitize velocity log-law)............................. 101
Two Layer Model .............................................................................................................. 103
Turbulence Module Limitations................................................................................................ 104
Turbulence-Implementation ..................................................................................................... 104
Turbulence Module Implementation Introduction................................................................. 104
Turbulence Module Implementation-Grid Generation.......................................................... 104
Grid Parameter R.............................................................................................................. 104
Model Setup and Solution .................................................................................................... 105
Turbulence Module Implementation-Model Setup and Solution-Introduction .................. 105
Turbulence Module Implementation-Model Setup and Solution-Problem Type............... 105
Model Options................................................................................................................... 105
Turbulence Module Implementation-Model Setup and Solution-Volume Conditions....... 107
Boundary Conditions ........................................................................................................ 107
Turbulence Module Implementation-Model Setup and Solution-Initial Conditions........... 113
Model Setup and Solution-Solver Control ........................................................................ 113
Model Setup and Solution-Output .................................................................................... 116
Turbulence Module Implementation-Post Processing ......................................................... 118
Turbulence Module Frequently Asked Questions.................................................................... 118
Turbulence Module Examples ................................................................................................. 119
Turbulence Module References............................................................................................... 119
Chemistry Module........................................................................................................................ 121
Chemistry Module Introduction ................................................................................................ 121
Chemistry-Applications ............................................................................................................ 121
Chemistry Module Applications-Introduction........................................................................ 121
Chemistry Module Applications-Mixing Only........................................................................ 122
Chemistry Module Applications-Mixing with Gas Phase Reactions..................................... 122
Chemistry Module Applications-Mixing with Surface Reactions .......................................... 122
Chemistry Module Applications-Multi-Physics Applications................................................. 122
Chemistry-Features ................................................................................................................. 122
Chemistry Module Features Introduction ............................................................................. 122
Chemistry Module Features-Solution Approach .................................................................. 123
Mixture Mass Fractions..................................................................................................... 123
Species Mass Fractions.................................................................................................... 123
Chemistry Module Features-Mass Diffusion Options........................................................... 123
Features-Gas Phase Reactions ........................................................................................... 123
Chemistry Module Features-Gas Phase Reactions-Introduction ..................................... 123
Chemistry Module Features-Gas Phase Reactions-Instantaneous Reaction Model ....... 124
Chemistry Module Features-Gas Phase Reactions-Equilibrium Reaction Model ............ 124
Chemistry Module Features-Gas Phase Reactions-Finite-Rate Model (for Mixture Solution)
.......................................................................................................................................... 124
Chemistry Module Features-Gas Phase Reactions-Finite-Rate Model (for Species
Solution)............................................................................................................................ 124
Chemistry Module Features-Gas Phase Reactions-Eddy Breakup Model ...................... 125
Chemistry Module Features-Gas Phase Reactions-Prescribed PDF Model.................... 125
Chemistry Module Features-Surface Reactions .................................................................. 125
Chemistry Module Features-Coupled Solver ....................................................................... 125
Chemistry Module Features-Unsteady Combustion ............................................................ 125
Chemistry-Theory .................................................................................................................... 126
Chemistry Module Theory Introduction ................................................................................ 126
Chemistry-Theory-Definitions And Relations ....................................................................... 126
Chemistry Module Theory-Definitions and Relations-Introduction................................... 126
Chemistry Module Theory-Definitions and Relations-Composition Variables.................. 126
Chemistry Module Theory-Definitions and Relations-Chemical Rate Expressions.......... 127
v
Chemistry Module Theory-Definitions and Relations-Mixture Fractions .......................... 131
Chemistry-Theory-Gas Phase Reaction Models.................................................................. 132
Chemistry Module Theory-Gas Phase Reaction Models-Introduction ............................. 132
Chemistry Module Theory-Gas Phase Reaction Models-Instantaneous Chemistry Model
.......................................................................................................................................... 132
Chemistry Module Theory-Gas Phase Reaction Models-Equilibrium Model ................... 133
Chemistry Module Theory-Gas Phase Reaction Models-Finite-Rate Model (for Mixture
Solution)............................................................................................................................ 135
Chemistry Module Theory-Gas Phase Reaction Models-Finite-Rate Model (for Species
Solution)............................................................................................................................ 136
Chemistry Module Theory-Surface Reaction Models .............................................................. 137
Chemistry-Turbulence-Combustion Interaction ....................................................................... 140
Chemistry Module Theory-Turbulence-Combustion Interaction-Introduction ...................... 140
Turbulence-Combustion Interaction-Determining PDF........................................................ 141
Chemistry Module Theory-Turbulence-Combustion Interaction-Determining PDF.......... 141
Chemistry Module Theory-Turbulence-Combustion Interaction-Reaction Progress PDF 142
Chemistry Module Theory-Turbulence-Combustion Interaction-Mixture Fraction PDF ... 143
Chemistry Module Turbulence-Combustion Interaction-Determining Averaged Variables.. 146
Chemistry Module Turbulence-Combustion Interaction-Operator Splitting ......................... 146
Chemistry Module Turbulence-Combustion Interaction-In Situ Adaptive Tabulation (ISAT)147
Chemistry Module Turbulence-Combustion Interaction-Subgrid Linear Eddy Model .......... 149
Chemistry Module Turbulence-Combustion Interaction-Application to Large Eddy Simulation
.............................................................................................................................................. 151
Chemistry Module Limitations.................................................................................................. 152
Chemistry-Implementation....................................................................................................... 152
Chemistry Module Implementation-Introduction................................................................... 153
Chemistry Module Implementation-Grid Generation............................................................ 153
Implementation-Model Setup and Solution .......................................................................... 153
Chemistry Module Model Setup and Solution-Introduction .............................................. 153
Chemistry Module Implementation-Model Setup and Solution-Problem Type................. 153
Model Setup and Solution-Model Options........................................................................ 153
Model Setup and Solution-Volume Conditions................................................................. 161
Model Setup and Solution-Boundary Conditions.............................................................. 164
Chemistry Module Implementation-Model Setup and Solution-Initial Conditions............. 166
Chemistry Module Implementation-Post Processing ........................................................... 170
Chemistry Module Frequently Asked Questions...................................................................... 171
Chemistry Module Examples ................................................................................................... 172
Chemistry Module References................................................................................................. 172
User Scalar Module..................................................................................................................... 173
User Scalar Module Introduction.............................................................................................. 173
User Scalar Module Applications............................................................................................. 173
User Scalar Module Features .................................................................................................. 173
Scalar Types......................................................................................................................... 173
Scalar Control....................................................................................................................... 174
User Scalar Module Theory ..................................................................................................... 174
User Scalar Module Limitations ............................................................................................... 175
User Scalar-Implementation .................................................................................................... 175
User Scalar Module Implementation-Introduction................................................................ 175
User Scalar Module Implementation-Grid Generation......................................................... 175
User Scalar Module Implementation-Model Setup and Solution-Introduction.................. 175
User Scalar Module Implementation-Model Setup and Solution-Problem Type.............. 176
User Scalar Module Implementation-Model Setup and Solution-Model Options ............. 176
User Scalar Module Implementation-Model Setup and Solution-Volume Conditions ...... 176
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Table Of Contents
User Scalar Module Implementation-Model Setup and Solution-Boundary Conditions... 177
User Scalar Module Implementation-Model Setup and Solution-Initial Conditions.......... 179
User Scalar Module Implementation-Model Setup and Solution-Output.......................... 181
User Scalar Module Implementation-Post Processing......................................................... 182
User Scalar Module Frequently Asked Questions................................................................... 183
User Scalar Module References.............................................................................................. 183
Radiation Module......................................................................................................................... 184
Radiation Module Introduction ................................................................................................. 184
Radiation Module Applications................................................................................................. 184
Radiation Module Features...................................................................................................... 185
Radiation-Theory ..................................................................................................................... 185
Radiation Module Theory-Blackbody Radiation................................................................... 185
Radiation Module Theory-Radiation Properties ................................................................... 187
Radiation Module Theory-Radiation Characteristics of Gases ............................................ 188
Radiation Module Theory-Radiative Transfer Equation (RTE) ............................................ 188
Theory-Solution Method....................................................................................................... 189
Radiation Module Theory-Solution Method Introduction .................................................. 189
Radiation Module Theory-Solution Method-Surface-to-Surface Method ......................... 190
Solution Method-Discrete Ordinate Method ..................................................................... 191
Solution Method-Monte Carlo Method.............................................................................. 194
Radiation Module Theory-Solution Method-P1 Method ................................................... 196
Radiation Module Limitations................................................................................................... 198
Radiation-Implementation........................................................................................................ 199
Radiation Module Implementation-Introduction.................................................................... 199
Radiation Module Implementation-Grid Generation............................................................. 199
Radiation Module Implementation-Model Setup and Solution-Introduction ..................... 199
Radiation Module Implementation-Model Setup and Solution-MC Model Requirements 199
Radiation Module Implementation-Model Setup and Solution-Problem Type.................. 200
Model Setup and Solution-Data........................................................................................ 201
Radiation Module Implementation-Model Setup and Solution-Volume Conditions-
Introduction....................................................................................................................... 211
Radiation Module Implementation-Model Setup and Solution-Initial Conditions.............. 213
Radiation Module Implementation-Model Setup and Solution-Solver Control ................. 214
Radiation Module Implementation-Model Setup and Solution-Output ............................. 214
Radiation Module Implementation-Post Processing ............................................................ 214
Radiation Module Frequently Asked Questions....................................................................... 215
Radiation Module References.................................................................................................. 219
Cavitation Module........................................................................................................................ 220
Cavitation Module Introduction ................................................................................................ 220
Cavitation-Applications ............................................................................................................ 220
Cavitation Module Applications-Introduction........................................................................ 220
Cavitation Module Applications-Automotive/Hydraulic Applications .................................... 221
Cavitation Module Applications-Turbomachinery Problems ................................................ 223
Cavitation Module Applications-Hydrofoil Problems ............................................................ 225
Cavitation Module Features..................................................................................................... 226
Cavitation-Theory..................................................................................................................... 227
Cavitation Module Theory-Introduction ................................................................................ 227
Cavitation Module Theory-Vapor Transport Equations........................................................ 228
Cavitation Module Theory-Effect of Turbulence................................................................... 228
Cavitation Module Theory-Effect of Non-Condensable Gases ............................................ 229
Cavitation Module Limitations.................................................................................................. 230
Fluid Properties .................................................................................................................... 230
vii
Activating Cavitation............................................................................................................. 230
Isothermal Assumption......................................................................................................... 230
Modules Not Supported........................................................................................................ 230
Cavitation-Implementation ....................................................................................................... 230
Cavitation Module Implementation-Introduction................................................................... 230
Cavitation Module Implementation-Grid Generation............................................................ 230
Cavitation Module Implementation-Model Setup and Solution-Introduction .................... 231
Cavitation Module Implementation-Model Setup and Solution-Problem Type................. 231
Cavitation Module Implementation-Model Setup and Solution-Volume Conditions......... 233
Cavitation Module Implementation-Model Setup and Solution-Boundary Conditions...... 234
Cavitation Module Implementation-Model Setup and Solution-Initial Conditions............. 234
Cavitation Module Implementation-Model Setup and Solution-Output ............................ 235
Cavitation Module Implementation-Post Processing............................................................ 236
Cavitation Module Frequently Asked Questions...................................................................... 236
Cavitation Module References................................................................................................. 236
Grid Deformation Module ............................................................................................................ 238
Grid Deformation Module Introduction..................................................................................... 238
Grid Deformation-Applications................................................................................................. 238
Grid Deformation Module Applications-Introduction............................................................. 238
Grid Deformation Module Applications-Fluid-Structures Interaction Problems.................... 238
Grid Deformation Module Applications-Simple Prescribed Motion ...................................... 238
Grid Deformation Module Applications-User Defined Motion .............................................. 238
Grid Deformation-Features ...................................................................................................... 239
Grid Deformation Module Features-Introduction.................................................................. 239
Grid Deformation Module Features-Automatic Remeshing ................................................. 239
Grid Deformation Module ..................................................................................................... 239
Features-Automatic Re-meshing.......................................................................................... 239
Transfinite Interpolation Scheme ......................................................................................... 239
Grid Deformation Module ..................................................................................................... 239
Features-Automatic Re-meshing.......................................................................................... 239
Solid-body Elasticity Analogy ............................................................................................... 239
Grid Deformation Module Features-User Defined Remeshing ............................................ 241
Grid Deformation Module Limitations ...................................................................................... 241
Grid Deformation-Implementation............................................................................................ 241
Grid Deformation Module Implementation-Introduction ....................................................... 242
Grid Deformation Module Implementation-Grid Generation ................................................ 242
Grid Deformation Module Implementation-Model Setup and Solution-Introduction......... 242
Grid Deformation Module Implementation-Model Setup and Solution-Problem Type ..... 242
Grid Deformation Module Implementation-Volume Conditions ........................................ 243
Grid Deformation Module Implementation-Specialized Point Constraint ............................. 246
Tips on Moving Grid Setup ............................................................................................... 246
Domain Division................................................................................................................ 246
Using the .spc File ............................................................................................................ 250
Grid Deformation Module Implementation-Post Processing................................................ 253
Grid Deformation Module Frequently Asked Questions .......................................................... 253
Stress Module.............................................................................................................................. 254
Stress Module Introduction ...................................................................................................... 254
Stress-Applications .................................................................................................................. 254
Stress Module Applications Introduction.............................................................................. 254
Modules-Stress Module Application-Pure Structural Analysis............................................. 254
viii
Table Of Contents
ix
Stress Module Applications-Coupled Solid/Fluid/Thermal Problems................................... 255
Stress Module Applications-Multi-disciplinary Electrostatic Problems-MEMS..................... 256
Stress Module Features........................................................................................................... 259
Stress-Theory........................................................................................................................... 260
Stress Module Theory-Introduction...................................................................................... 260
Stress Module Theory-Damping........................................................................................... 262
Stress-Limitations .................................................................................................................... 265
Stress Module Limitations-Limited Element Library............................................................. 265
Stress Module Limitations-Arbitrary Interfaces .................................................................... 265
Stress Module Limitations-Cyclic/Thin Wall Boundary Conditions....................................... 265
Stress-Implementation............................................................................................................. 265
Stress Module Implementation Introduction......................................................................... 265
Stress Module Implementation-Grid Generation.................................................................. 265
Element Types.................................................................................................................. 265
Choosing An Element Type.............................................................................................. 267
Structural Analysis............................................................................................................ 268
Stress Module Implementation-Model Setup and Solution-Introduction .......................... 269
Stress Module Implementation-Model Solution and Setup-Problem Type....................... 269
Model Setup and Solution-Volume Conditions................................................................. 273
Stress Module Implementation-Model Setup and Solution-Initial Conditions................... 287
Stress Module Implementation-Post-Processing................................................................. 298
Stress Module Frequently Asked Questions............................................................................ 299
Stress-Examples...................................................................................................................... 305
Stress Module Examples...................................................................................................... 305
Stress-Examples-Demo Problems ....................................................................................... 305
Stress Module Examples-Stress Concentration............................................................... 305
Stress Module Examples-Hoop Stress............................................................................. 307
Stress Module Examples-Large Deflection ...................................................................... 308
Stress-Examples-Validation Cases...................................................................................... 309
Stress Module Examples-Stress Concentration in a Circular Cylinder ............................ 309
Stress Module Examples-Thermoelastic Deformation of a Cylinder ................................ 310
Stress Module References....................................................................................................... 312
Appendix A - Post Processing Variables..................................................................................... 314
Appendix A Post-Processing Variables .................................................................................. 314
Index............................................................................................................................................ 321

About ESI GROUP
ESI CFD is a technology leader in the field of advanced computational fluid dynamics simulation
software backed by more than 20 years of research based knowledge throughout a wide range of
industries. ESI CFDs broad range of products and services provide all of the necessary tools for
advanced multiphysics analysis in a virtual prototype environment, significantly reducing time and
expense through comprehensive up-front modeling and simulation. Key focus areas include
microfluidics, biomedical, plasma, MEMS, fuel cells, semiconductor, automotive and aerospace.
ESI CFDs product portfolio represents a unique collaborative, virtual engineering solution, known
as the Virtual Try-Out Space (VTOS), enabling a continuous improvement on the virtual
prototype. By drastically reducing costs and development lead times, VTOS solutions offer major
competitive advantages by progressively eliminating the need for physical prototypes.

Copyright Information
1997-2008 by ESI-Group
1
2
All rights reserved. Published 2008.
This information is the confidential and proprietary product of ESI-Group. Any unauthorized use,
reproduction, or transfer of this manual is strictly prohibited. Subject to limited distribution and
restricted disclosure only.
CFD-ACE, CFD-ACE+, CFD-CADalyzer, CFD-VIEW, CFD-GEOM, SimManager,
CFD-VisCART, CFD-TOPO
TM
and CFD-FASTRAN are registered trademarks of ESI-Group.
Portions of this software are owned by Spatial Corp.
Copyright 1989-2008 All rights reserved.

About CFD-ACE+
CFD-ACE+ is a set of computer applications for multi-physics computational analysis. The
programs provide an integrated geometry and grid generation software, a graphical user interface
for preparing the model, a computational solver for performing the simulation, and an interactive
visualization software for examining and analyzing the simulation results.
The standard CFD-ACE+ package includes the following applications:
- CFD-GEOM - geometry and grid generation
- CFD-VisCART -
- CFD-ACE-GUI - graphical user interface to the CFD-ACE-SOLVER
- CFD-ACE-SOLVER - advanced, multiphysics solver
- CFD-VIEW - interactive post processor
The information contained within specifically addresses the CFD-ACE-SOLVER and its
interaction with CFD-ACE-GUI. A schematic representation of the applications is shown below.
3

Schematic Representation of CFD-ACE+
CFD-ACE+ provides an interactive tool kit for building the input required for the CFD-ACE-Solver.
You can use it in conjunction with other ESI CFD products to form a complete solution analysis
package. Other ESI CFD products include:
- CFD-VisCART - provides Cartesian and viscous Cartesian grid generation capabilities.
- CADalyzer - works with native CAD geometries and provides automatic grid generation
for CFD calculations
4
Intro-About CFD-ACE+
5
- CFD-TOPO - predicts the transport, chemistry, etch and deposition of semiconductor
materials on the microscopic scales
- SimManager - uses the CFD-ACE+ package to perform parametric and optimization
studies using various parameters (e.g. geometrical parameters, boundary values, etc.)

New Features and Improvements - V2009.0
CFD-ACE-SOVLER - V2009.0.1
CFD-ACE-SOLVER V2009.0.1 includes all the bug fixes and improvements made between June
2008 and October 2008. This is the first Release version of the 2009.0 software. The following
sections summarize significant new features and improvements developed since the 2008.2
release.
Fast Time Stepping (FTS) Enhancements
FTS, first released in V2008.2 and based on Fractional Step Method and PISO, offers speedup in
convergence within each time-step. The number of iterations needed to convergence is typically
reduced by factor of five by using FTS compared to STS. FTS is designed for strongly transient
simulations, i.e. those that require small physical time-step compared to the integral time scale.
Examples of such simulations are eddy resolving turbulent simulations (LES and DES), free-
surface simulations based on volume of fluid (VOF), and time-accurate flows involving
Lagrangian particle tracking.
A practical way to determine whether it is more efficient to use FTS or STS to simulate a certain
physics problem is to compare the time-step required for numerical stability and the required
physical time-step, i.e. the time scale to capture certain physical phenomena. Users ought to use
FTS only if the physical time scale is smaller than the stability time-step, otherwise STS should be
used due to its enhanced numerical stability.
In V2008.2, FTS was available only for flow, turbulence and heat transfer. In the current release,
V2009.0, the scope of FTS has been extended to include VOF, porous media, chemistry, spray,
stress, and grid motion. Other physics may be activated relatively easily within the FTS transient
framework based upon user's requests.
In addition to the inclusion of more physics, a new feature has been added in the FTS scheme,
namely CFL-Based Auto-Timestepping. Using this feature, users do not have to determine a
proper time-step size for the simulation, which usually is not a trivial task. The time-step is
determined dynamically as function of local flow conditions based on CFL stability criterion. The
recommended range of CFL number is 1 &endash; 3. A lower CFL value gives more stable time-
stepping, whereas a higher value gives larger time step size, therefore shorter time to a
(statistical) convergence. This guide line is also useful to determine whether to retain FTS or
switch to STS. If the physical time scale that needs to be resolved is at least an order of
magnitude larger than the stability time-step given by the CFL criterion, then it is probably more
efficient to use STS.
Force and Moment Coefficients on Specified Surfaces
This feature controls the output of the forces and moments calculated on walls. It provides users
more control over the information to be output by outputting for selected walls or groups of walls.
As an example of the use of this feature in the automotive application, for instance, users have
the freedom to select only car walls and exclude the floor wall from the total force and
momentum. More specific, users can group wall surfaces that form doors, underhood, or side
mirrors into different groups to assess forces exerted locally on each of these components. This
feature, hence, provides greater flexibility and granularity in accessing the desired information.
The feature outputs the actual dimensional values of forces, moments, as well as their
corresponding coefficients. All reference values can be specified by the user or calculated by the
code if the user does not specify them, with the exception of the reference length and the
reference area which have to be specified by the user. The reference values for velocity, area,
and density are required to compute the coefficients for forces, whereas the reference length is
6
Intro-New Features
needed for the coefficients for moments. The reference values for density and velocity are taken
as the average at the inlet boundaries if they are not specified by the user, and assumed to be
the free-stream values. The output is written to a separate force-moment summary file having the
extension FMSUM.
This enhanced output functionality has the following features
- outputs forces and moments exerted on walls
- outputs force and moment coefficients for walls
- allows user to specify position where moments are taken about
- allows users to output a summary for every wall, specific walls, or a group of walls
- applicable for serial and parallel simulations
Forces and Moments for Momentum Resistance
This feature is provided for the evaluation of aerodynamic forces and moments acting on
Momentum Resistance surfaces. The Momentum Resistance model is typically used for specific
parts within an application such as car radiators and components made of porous media. Using
this tool, user can estimate up to grid resolution precision the drag and torque caused by the
presence of these parts in the flow way. This functionality can be activated by checking the
r;Include Momentum Resistance box along with the r;Force and Moment Summary box in the
Out section of the GUI.
The transfinite interpolation technique (TFI) is employed by the Solver to create surface meshes
on the momentum resistance. This provides the area and the coordinates of each face of the
surface mesh. The pressure at each face of the surface mesh is determined by the background
flow field pressure value based on the proximity of the surface face centers to the background cell
centers. Having collected the required data, the pressure forces and moments for each
momentum resistance are then computed in a straightforward manner.
This tool contains the following features:
- multi-components (multiple momentum-resistances)
- normal cross section of momentum resistance can have arbitrary polygon shape
- serial and parallel simulations
For an optimum result, the size of background cells should not be too large compared to the size
of the momentum resistance. Typically, the normal cross section of the momentum resistance
should be big enough to cover at least 100 background cell faces.
V2F Model Enhancement
The k-eps-v2-f model robustness has been enhanced by improving the convergence of the f-
equation. This helps the overall convergence character of the model, especially when applied to
complex turbulent flows. Users have to be aware, however, that k-eps-v2-f model, although
offering more accurate and realistic solutions for flows more challenging to other turbulent
models, is known to be less r;code-friendly than other RANS models based on transport
equations. This means that users should expect slower convergence using this model compared
to other Boussinesq type models, with the trade off of capturing specific feature the other models
fail to capture. A well known example for this is turbulent separating flow in an asymmetric plane
diffuser (ref. 1 and 2).
1. Obi, S., Aoki, K., and Masuda, S., 1993, r;Experimental and Computational Study of Turbulent
Separating Flow in an Asymmetric Plane Diffuser, Proc. 9th Symposium on Turbulent Shear
Flows, pp. 305-312.
2. Buise, C. U., and Eaton, J. K., 1997,Experimental Investigation of Flow Through an
Asymmetric Plane Diffuser, Report No. TSD-107. Thermo-sciences Division, Department of
Mechanical Engineering, Stanford University, Stanford, CA, USA.
7
Two-Phase Model Improvement
A number of algorithms can be used for the solution of the phase-fraction equation. In the One
Equation Model, the continuity equation for the dispersed phase is solved to obtain alpha and the
constraint equation, i.e. the sum of the phase fractions must be unity, is used to obtain the
solution for the primary phase. This method does not guarantee boundedness for both phase
fractions. In the Two Equation Model, the continuity equations of both phases are solved
separately. The solution is then renormalized to ensure a unity sum. The principle disadvantages
of the Two Equation model are that this approach does not guarantee continuity of the individual
phases until overall convergence, due to the renormalization, and the increased computational
effort required for solution of an additional scalar equation.
In the new release, the approach of composite solution of and was followed. This
approach derives an equation for the phase fraction by taking the difference of the density-
weighted continuity equations. The continuity equation for each phase is solved with the
constraint .

Ballard Power Systems channel geometry utilized for algorithm evaluation, shaded by a
typical pressure distribution
The selected channel (figure above), is a Ballard Power Systems design. The convergence of
steady state two-phase flow simulations was evaluated for the old and new formulations. The
convergence histories, shown in the figures below, clearly demonstrate the advantage of the new
algorithm for this particular application.

Improved Convergence with new formulation
Two Phase Porous Media
The two-fluid model has been extended to porous media. The model presents an attractive
alternative to VOF for simulations where accurate interface information is not critical. The fluid-
solid momentum transfer is given by a generalized form of Darcys Law. The effect of surface-
tension will be included in subsequent releases.
8
Intro-New Features
9

Two-phase Pressure drop in non-porous (left) and porous (right) channels
CFD-ACE-GUI - V2009.0.1
CFD-ACE-GUI V2009.0.1 includes all the bug fixes and improvements made between June 2008
and October 2008. This is the first Release version of the 2009.0 software. The following are the
new features in this release.
ESI Mobile Support
ESI Mobile is an exiting new application for giving client-server access to engineering simulations.
By extending your control over your simulations, you will find increased insight into your models
whether youre at your desk, in the conference room down the hall, in an airport, or at a
customers site on the other side of the
planet!
This version extends the remarkable
capabilities of ESI Groups flagship
Computational Fluid Dynamics (CFD)
applications into the iPhone & iPod Touch
world. This iPhone App is a free extension
of CFD-VIEW and CFD-GUI, the ESI
applications for viewing CFD simulation
results and CFD model setup.
ESI Mobile uses the latest features and th
iPhone interface to provide a very intuit
way of monitoring and controlling your
simulation remotely.
e
ive
iew
r
le makes use of the latest
ing

With ESI Mobile you can start and stop the
solver, change simulation parameters, v
solver output, watch residual and monito
point plots in real time on your iPhone.
ESI Mobi
industry-standard protocols for secur
your information, and for making setup as
simple as launching the App. Visualization
and Simulations servers are automatically
located on your LAN, or can be found at
remote locations with ease.

Using Help
This help system is arranged in two volumes:
Volume I - User Manual describes the CFD-
ACE+ operations and features of the CFD-
ACE-Solver which are module independent:
Volume II - Modules contains a section for
each of the CFD-ACE+ modules that appear
in the Problem Type (PT) Panel:
- User Manual Overview
- Database Manager
- Arbitrary Interface Boundary
Conditions
- Thin Wall Boundary Conditions
- Cyclic Boundary Conditions
- Periodic Boundary Conditions
- Fan Model
- Momentum Resistance
- Porous Media
- Rotating Systems
- Parallel Processing
- User Subroutines
- Numerical Methods
- Mixing Plane
- Filament Model
- Electrokinetics
- Ionization
- Electroplating
- Dielectrophoresis (DEP)
- Solidification
- Fuel Cell Modeling
- Biochemistry
- Appendix A - CFD-ACE+ Files
- Appendix B - DTF Utility
- Appendix C - GUI Scripting

- Flow
- Heat Transfer
- Turbulence
- Chemistry
- User Scalar
- Radiation
- Cavitation
- Grid Deformation
- Stress
- Electric
- Magnetic
- Spray
- Macro Particle
- Free Surface (VOF)
- Plasma
- Two-Fluid
- Kinetic
- Semi Device

We recommend that you first read the User Manual Overview to learn the basics of how the CFD-
ACE+ application works. Then review the remaining information in the User Manual and Modules
that apply to your application of interest for details on using each module or feature.
It is also worthwhile to review the Introduction, Applications, and Features sections of each
module to determine if they can help you to model your systems.
10

Getting Started
How to execute the software:
To execute the graphical software (once the environment and path has been set according to the
installation instructions that can be found on the CFD Portal) from the command line, enter one of
the following commands in a DOS window on Windows Systems or in a shell on Linux/UNIX
systems:
- CFD-GEOM
- CFD-CADA
- CFD-VisCART
- CFD-ACE-GUI
- CFD-FASTRAN-GUI
- CFD-TOPO-GUI
- CFD-VIEW
- SimManager
The appropriate solver can be executed from CFD-ACE-GUI, CFD-FASTRAN-GUI, CFD-TOPO-
GUI, or SimManger. They can also be submitted from the command line using:
- CFD-ACE-SOLVER dtf model.DTF
- CFD-FASTRAN-SOLVER dtf model.DTF
- CFD-TOPO-SOLVER dtf model.DTF
If multiple versions of the software have been correctly installed, then the old version can be
executed using: CFD-GEOM runver 2006 (which will run version 2006 of GEOM).
Note your license file will dictate which applications you can execute.
How to add shortcuts to the Start Menu:
Windows users that installed via CD will have short cuts under Start -> Programs -> ESI-
Software. If your software was received via ftp or the CFD portal, then you can create your own
short cuts. To do so:
1. Create an ESI_Software folder typically under C:\Documents and Settings\All Users\Start
Menu\Programs
2. Copy the desired icons from the latest UTILS_20xx.x\icons directory in the ESI_Software
folder
3. In Windows Explorer, right click on the icon and select: Create Shortcut
4. Right click on the just created shortcut and select: Properties
5. Change the target to the desired application in the UTILS_20xx.x\bin directory (for
instance: CFD-VIEW.exe)
6. Change the Start in directory to your desired starting location
7. Select the Change Icon button and browse back to the originally icon in the
UTILS_20xx.x\icons directory and select the appropriate icon.
8. Delete the icon that is setting Start Menu\Programs directory
11
12
9. Repeat as needed
Note the target string can contain at the end the runver option (ie. runver 2006) so that a
specific version of the software can be executed. If this option is not specified, by default the
latest version found will be executed.
Where to request a license file:
The following table gives the email address where to request a license key:
Country/Region Contact
North America amy.teets@esi-group-na.com
South America support.cfd@esi-group-na.com
France
Rest of Europe support.cfd@esi-group-na.com
Japan hf@esi.co.jp
Korea ljs@esi.co.kr
China catherine@atechina.com
India shivakumargt@esi-india.com
Rest of Asia david.tan@esi-group.com
Australia/New Zealand david.tan@esi-group.com
Africa support.cfd@esi-group-na.com
Or contact your local ESI Sales Representative.

How to Report Problems
If you experience problems while using CFD-ACE-GUI/SOLVER, you can report your problem by:
- E-mail: support.cfd@esi-group-na.com
- Telephone: 256-713-4750 (United States country code is 01)
When reporting a problem it is important to have the following information:
- CFD-ACE-GUI version number
- CFD-ACE-Solver version number
- Modules you were using
- Type of problem you were trying to solve
- Any error messages you may have received in the modelname.out file or screen
To find the CFD-ACE-GUI version number or the DTF version number:
1. Open the CFD-ACE+ application.
2. Click on the Help menu.
3. Select the About CFD-ACE-GUI option.
4. Make a note of the version number.
-OR-
1. Open a command prompt.
2. On the command line, enter CFD-ACE-GUI -v and press Enter. (Note that the command
is CFD-ACE-GUI(space)-v and the command is case sensitive in most environments) A
file is created (CFD-ACE-GUI.version) which contains the build date and version
information. The file will be created in the current working directory.
To find the CFD-ACE-Solver version number:
1. Note the version number at the top of the CFD-ACE-GUI modelname.out file.
-OR-
1. Open a command prompt.
2. On the command line, enter CFD-ACE-SOLVER -v and press Enter. (Note that the
command is CFD-ACE-SOLVER(space)-v and the command is case sensitive in most
environments) A file is created (CFD-ACE-SOLVER.version) which contains the build
date and version information. The file will be created in the current working directory.
13

Flow Module
Flow Module
Introduction to Flow Module
The Flow module is the heart of CFD-ACE+ and is used in most simulations. Activating the Flow
Module implies the solution of the velocity field by solving for the x, y, and z momentum
equations, and the pressure field by solving the pressure correction equation. You can use the
Flow module with one or more of the CFD-ACE+ modules to provide a multi-physics based
solution to an engineering problem (such as couple flow with heat transfer, mixing, finite-element
stress solution, etc.). The Flow module includes the following sections:
- Applications
- Features and Limitations
- Theory
- Implementation
- Frequently Asked Questions
- Examples
- References
Flow Module
Applications of the Flow Module
The Flow Module allows CFD-ACE+ to simulate almost any fluid (gas or liquid) flow problem.
Both internal and external flows can be simulated to obtain velocity and pressure fields. Below
are some examples of applications that use the Flow Module exclusively as well as a list of other
modules that can be used together with this module to produce a multi-physics simulation. It is
assumed that the flow is laminar unless the Turbulence Module is activated.
Flow Visualization
CFD-ACE+ flow solutions can be used to provide detailed information about the flow field. For
example, vector plots can be used to depict the magnitude and direction of the flow velocity.
Streamline traces can also be produced to show how the flow progresses through the solution
domain.
Pressure Field Calculations
The Flow Module is often used to determine the pressure field within a given geometry. Using
CFD-ACE+ to predict the pressure drop through a device can help determine the amount of
power needed to drive the flow. For external flow applications, the pressure field can be used to
obtain pressure forces acting upon the body.
Mass Flow Calculations
The Flow Module solves the velocity and pressure equations, and hence can be used to
determine the mass flow characteristics of an internal flow system. CFD-ACE+ can determine the
mass flow rate through a system for a given differential pressure. Mass flow calculations are also
useful for determining flow splits when the flow is bifurcated.
Multi-Physics Applications
14
Flow Module
You can use the Flow Module with many of the other CFD-ACE+ modules to perform multi-
physics analyses. The more commonly added modules are listed below. Examples of these types
of applications are given in each modules section.
- Turbulence (Flow is required)
- Heat Transfer (with or without radiation)
- Chemistry (Flow is required)
- With or without gas-phase and surface reactions
- Biochemistry
- User Scalar
- Spray (Flow is required)
- Free Surfaces (Flow is required)
- Two Fluid (Flow is required)
- Cavitation (Flow is required)
- Grid Deformation
- Finite Element Stress
- Plasma (Flow is required)
- Kinetic
- Electric and Magnetic Module (Electrophysics)
Flow Module
Features and Limitations of the Flow Module
Features
The Flow Module has many inherent features that may or may not be activated for any given
simulation.
Non-Newtonian Viscosity Options
The Flow Module can model non-Newtonian flows through the use of power law and Carreau law
viscosity property options. (See Volume Conditions for details on activating non-Newtonian
viscosity properties).
Swirl Model
A swirl model provides a solution for tangential velocity (W) in 2D-axisymmetric geometries. This
feature can be used to yield 3D results from a 2D axisymmetric computational grid system, thus
saving computational resources.
Slip Wall Boundary Conditions
The default treatment for wall boundary conditions is the no-slip condition for momentum and
heat transfer (i.e., all velocity components are set to the wall velocity, usually zero, and the gas
temperature is set to the wall temperature). However, at low pressures (on the order of 1 mTorr)
the no-slip boundary condition is no longer appropriate. For this reason a slip wall feature is
included that allows for velocity slip and temperature jump at the walls. (See Theory-Slip Walls for
details on how to activate this feature).
Hemolysis Model
15
Shear stress exerted on the blood may damage or destroy the red blood cells. The phenomena of
destruction of red blood cells and subsequent release of hemoglobin is called hemolysis. This
occurs commonly when vascular access is made using a vascular device, for example using a
needle or a catheter. Hence, it is essential to operate these devices a safe operating mode so
that the maximum shear stress is well below the threshold stress for hemolysis. The geometry
and orientation of the vascular devices may cause the maximum stresses to occur at the device
wall rather than the venous wall. Hence, the classical Poiseuille theory for predicting maximum
shear stress cannot be applied to assess the device performance. Secondly, the sub-threshold
damage to the cells may accumulate over the time and account for delayed hemolysis. An explicit
Lagrangian type particle tracking scheme is developed in CFD-ACE+ as a post processing tool,
to compute mass-averaged hemolysis index. See the Hemolysis Model for details on how to
activate this feature.
Simple Flow Models
Reduced flow models are provided to take advantage of theoretical assumptions to include more
physics in the solution process. Their use is only applicable to a small set of problem types.
However, when used they can produce highly accurate results with less computational resources.
See Simple Flow Models for the theory behind these models and for details on how to implement
this feature.
Limitations
Although the Flow Module can handle compressible flows, the pressure-based method that CFD-
ACE+ uses is not ideally suited to higher supersonic flows. CFD-ACE+ has been validated for
supersonic flows with Mach numbers on the order of two. For higher Mach number flows, use a
density-based solver like CFD-FASTRAN.
Theory
Flow Module
Flow Module Theory
The governing equations for the Flow Module represent mathematical statements of the
conservation laws of physics for flow.
- The mass of a fluid is conserved, i.e. there is no loss or gain of mass in the system.
- The time rate of change of momentum equals the sum of the forces on the fluid
(Newtons second law).
You can use these two laws to develop a set of equations (known as the Navier-Stokes
equations), which CFD-ACE+ to solves numerically using an iterative method.
Mass Conservation
Mass Conservation
[1]

Conservation of mass requires that the time rate of change of mass in a control volume be
balanced by the net mass flow into the same control volume (outflow - inflow). This can be
expressed as:

(1-1)
16
Flow Module
The first term on the left hand side is the time rate of change of the density (mass per unit
volume). The second term describes the net mass flow across the control volumes boundaries
and is called the convective term.
[1]

This section describes the mathematical equations used by the Flow Module. See Numerical
Methods for details on the methods used to solve these equations.
Newtons second law states that the time rate of change of the momentum of a fluid element is
equal to the sum of the forces on the element. We distinguish two types of forces on the fluid
element:
Surface forces
- Pressure forces
- Viscous forces
Body forces
- Gravity force
- Centrifugal force
- Electromagnetic force
- Surface tension force
- Momentum resistance
- Porous media forces
This section describes the surface forces. The body forces are included as source terms and are
discussed in the chapters for gravitational and rotational body forces (see Rotating Systems ).
Also see Magnetic Module for information on the body forces produced by that module.
The x-component of the momentum equation is found by setting the rate of change of x-
momentum of the fluid particle equal to the total force in the x-direction on the element due to
surface stresses plus the rate of increase of x-momentum due to sources:

(1-2)
Similar equations can be written for the y- and z-components of the momentum equation:

(1-3)

(1-4)
In these equations, p is the static pressure and t
ij
is the viscous stress tensor.
[1]

The momentum equations, given above, contain as unknowns the viscous stress components t
ij
,
therefore a model must be provided to define the viscous stresses.
17
In Newtonian flows, the viscous stresses are proportional to the deformation rates of the fluid
element. The nine viscous stress components (of which six are independent for isotropic fluids)
can be related to velocity gradients to produce the following shear stress terms:

(1-5)

(1-6)

(1-7)

(1-8)

(1-9)

(1-10)
Substitution of the above shear stress terms into the momentum equations yields the Navier-
Stokes equations:

(1-11)

(1-12)

(1-13)
By rearranging these equations and moving the smaller contributions of the viscous stress terms
to the momentum source term, we can rewrite the Navier-Stokes equations in a more useful form:

(1-14)

(1-15)

(1-16)
18
Flow Module
For more details on the discretization of these equations and the method used to obtain velocity-
pressure coupling please see the Numerical Methods.

Flow Module Implementation
Flow Module
Simple Flow Model Theory
There are two simple flow models available for use by the Flow Module:
- Second Order Wall Model - used to calculate the shear stress at the wall more
accurately. This model can be used on multi-cell thick grid systems.
- One Cell Wall Model - intended for fully developed channel flows to be simulated with a
single cell thick grid (multiple cells in the stream-wise direction).
Second Order Wall Model
The Second Order Wall model differs from the One Cell Wall model in the way that the
coefficients in equation 1-17 are determined. Instead of applying equation 1-17 between two
opposite walls, the Second Order Wall model applies the equation only in the cell adjacent to the
wall. The relevant boundary conditions to determine the three coefficients in equation 1-17 are:

at the wall

at the cell center

at the cell center
With these boundary conditions the coefficients for equation 1-17 can be calculated. The rest of
this model is the same as the One Cell Model.
One Cell Wall Model
Channel flows have specific characteristics. For low values of the Reynolds number, the flow
creates a laminar boundary layer near the wall. If the channel aspect ratio is large enough, i.e. the
length divided by the height is very large, the flow inside the channel will often be fully developed.
The One Cell Wall simple flow model takes advantage of the assumption of fully developed flow
to impose analytical models on the flow solution.
The One Cell Wall model uses the assumption that the flow velocity distribution between two
walls facing each other (parallel or not) achieves a parabolic profile. This assumption is derived
from fully developed channel flows and is true for laminar flow between straight parallel walls. It is
approximately true for flows between non-parallel walls. However, if the walls change their
shapes smoothly, the assumption may still be valid.
Assuming laminar flow passing between two walls, the boundary conditions are U = U
1
at wall 1
and U = U
2
at wall 2. Since the velocity distribution is parabolic, we prescribe a parabolic profile
for velocity as:

(1-17)
where a, b, and c are constants and y is the local distance normal to the wall. The shear stress
therefore can be calculated as:
19

(1-18)
From the boundary conditions, we can determine two of the constants in equation 1-17. The third
constant can be determined if we know the value of U at the center which can be obtained by
solving the Navier-Stokes equations. CFD-ACE+ solves the Navier-Stokes equations to get the
cell volume average value of the velocity. If we use this average velocity to compute the shear
stress, we will get a stress that is lower than the actual value. Therefore, we add one more
condition to determine the third constant:

(1-19)
where is the average value and obtained from the standard numerical solution process and o is
the difference between the real value and the numerical solution. The value U can then be
determined from the following equation:

(1-20)
where V is the cell volume. Once U is determined, we can compute the shear stress and use the
new shear stress as a boundary condition for the Navier-Stokes solution.
Note: For the One Cell Model, the velocity in CFD-VIEW will appear to be zero. This is due to
the fact that all the nodes lie on a wall boundary, and the velocity at the wall is zero for no-slip
conditions.
Flow Module
Slip Wall Theory
Assuming that the U
s
is the slip velocity, U
w
is the wall velocity (for a stationary wall, U
w
= 0), the
slip boundary condition formulation as adopted in CFD-ACE+ is:

(1-21)
where:
20
Flow Module

and

= accommodation coefficient (user input)

=
the mean free path (calculated in the code, as
a function of molecular diameters, local
pressure, temperature )
n, n
0
= constants

= constants

= normal velocity gradient at the wall

For temperature slip, we have:

(1-22)
Model Setup
Flow Module
Implementation and Grid Generation
The Implementation section gives details about how to setup a model for simulation using the
Flow Module. The Flow Module Implementation section includes:
- Model Setup and Solution - Describes the Flow Module related inputs to the CFD-ACE-
SOLVER
- Post Processing - Provides tips on what to look for in the solution output
21
The following geometric systems are supported by the Flow Module: 3D, 2D Planar, 2D
Axisymmetric. All grid cell types are supported (quad, tri, hex, tet, prism, poly).
The general grid generation concerns apply, i.e., ensure that the grid density is sufficient to
resolve solution gradients, minimize skewness in the grid system, and locate computational
boundaries in areas where boundary values are well known.
For pure flow problems, most gradients will be located near walls and free shear layers. Also, be
aware of streamwise flow gradients, which can be encountered in developing flows and
compressible flows with shocks. It is important to pack the grid in any location where solution
gradients are expected (e.g. the bend of a pipe).
Flow Module
Problem Type
Click the Problem Type [PT] tab to see the Problem Type Panel. See Control Panel-Problem
Type for details.
Select Flow to activate the Flow Module. The Flow Module is required for most simulations and
can also be coupled with virtually all other modules.
Model Options
Flow Module
Model Options - Shared Tab
Under the Shared Tab, a title can be given to the simulation, the gravity vector can be specified,
and the frame of reference in which to perform the calculations can be specified.
When gravity is selected, the vector along with the reference density must be specified. For more
information on how to set the reference density, please refer to the FAQ section of the Flow
Module.
When Rotation Reference is chosen, two options are available: VC Based and Global (Absolute).
The VC Based option allows for multiple reference frames to be used, i.e. each volume in the
model could have it's own reference frame. The Global (Absolute) option perform all calculations
in the rotating frame of reference. For more information on setting the Rotation Reference,
please refer to the Rotating Systems chapter.
Also, for 2D cases there is an option for running the case axi-symmetric (about the X-axis). The
grid must be in the positive y direction.
If you want to run a simulation using Chimera, simply activate the Chimera option then make the
appropriate Chimera settings in the VC and BC tabs. For more information on the Chimera Grid
option, please check the Chimera Grid Methodology chapter.
Flow Module
Model Options - Flow Tab
Reference Pressure
The Flow Module in CFD-ACE+ enables you to specify a reference pressure (P
ref
). The value
specified for P
ref
will be added to any pressure inputs (i.e., boundary conditions and initial
conditions). The reference pressure is also subtracted from the pressure field for graphical output
purposes. This feature enables you to perform your simulation with either gage or absolute
pressures.
The default reference pressure is 100000 N/m
2
(~1 atmosphere). To work with absolute
pressures set the reference pressure to 0 N/m
2

22
Flow Module
.
Model Options in Flow Module Settings Mode
Hemolysis
For blood flow simulations, activate the Hemolysis model. The hemoglobin released by the flow
induced shear forces is a function of the magnitude of shear stress and the exposure time of red
cells to the shear field. In CFD-ACE+, an empirical model proposed by Giersiepen et. al has been
used as the default model. In this model, the hemoglobin released by red cells is expressed as

(1-23)

where:

= shear stress in N/m
2

t = exposure time in seconds
A = 3.62x10-5
B = 2.416
C = 0.785
The model is valid even for exposure times below 7 ms. You also have the option of using other
empirical models by changing the constant and the exponents in equation 1-23 by way of CFD-
ACE+.
Swirl
A swirl model provides a solution for tangential velocity (W) in 2D-axisymmetric geometries. This
feature can be used to yield 3D results from a 2D axisymmetric computational grid system, thus
saving computational resources.
Flow Module
Model Options - Advanced Tab
The Advanced tab allows for the specification of models which are useful for specific types of
simulations.
Simple Flow Models
Selecting the Simple Flow Model checkbox allows activation of these models (see Simple Flow
Models). There are three options available:
23
1. High Order Wall Local - enables you to assign a unique simple model to each of the walls
in the simulation (see Boundary Conditions-Walls for more details).
2. One Cell Wall Global - applies the one cell wall reduced model to all walls in the
simulation. The one cell wall model should only be used for low Reynolds number flows
and only on single cell thick grid systems.
3. 2nd Order Wall Global - applies the second order wall simple model to all walls in the
simulation.
Slip Walls
For low pressure flow simulations (on the order of 1 mTorr) the no-slip boundary condition for
velocity and temperature is no longer appropriate. For slip flow regime, the gas viscosity usually
needs to be modified based on Knudsen number as follows [6]:

(1-24)

where:

= gas viscosity
a and b = constants
Kn = Knudsen number
Flow Module
Volume Conditions
Click the Volume Conditions [VC] tab to see the Volume Conditions Panel. See Control Panel-
Volume Conditions for details. Before any volume condition information can be assigned, one or
more volume condition entities must be made active by picking valid entities from either the
Viewer Window or the VC Explorer.
General flow sources can be specified by changing the volume condition setting mode to Flow.
Mass sources and momentum sources can be added to the system. There are several types of
sources that can be applied: Fixed Source (Volumetric), Fixed Source (Total), Fixed Value,
General Source (Volumetric), General Source (Total), and through a user subroutine
(USOURCE). See Source Term Linearization for more details on setting general sources and
see Momentum Resistance or Source and Fan Model for details on other types of flow sources.
For more information on the different types of sources available, please refer to Direct
Specification of Source Terms in the Numerical Methods chapter.
With the volume condition setting mode set to Properties select any volume conditions and
ensure that the volume condition type is set to Fluid. Only volume conditions that are of type Fluid
need to have flow properties specified (since there is no flow in solid or blocked regions there are
no fluid properties for those regions.)
There are two volume condition properties required by the Flow Module; density and viscosity.
Both density and viscosity can be evaluated using several methods. The methods used to
evaluate these properties and the required inputs are given below. To jump to a particular
property evaluation method, please select one from the list.
Density: Viscosity:
Constant Constant (Kinematic) Mix Polynomial in T
Ideal Gas Law Constant (Dynamic) Mix Polynomial in T (Liq)
Polynomial in T Sutherland's Law Power Law
Piecewise Linear in T Polynomial in T Carreau Law
24
Flow Module
Mix Piecewise Linear in
T
Piecewise Linear in T Power Law (Blood)
Mix Polynomial in T Mix Kinetic Theory Casson Model (Blood)
Cavitation Model Mix Sutherland's Law Walburn and Schneck (Blood)
User Subroutine
(UDENS)
Mix Piecewise Linear in T
Fluid Properties
Density
Constant
The constant options allows for the specification of the density. This option can be used when
density variations in the fluid are minimal. For liquids, the density can be specified as constant
since they are nearly incompressible.
Required Module (s): Flow
Required Input (s): Density in kg/m
3

Ideal Gas Law
When compressible effects are not negligible, the Ideal Gas Law should be used. The Ideal Gas
Law is given by:

where p
ref
is the reference pressure, p is the calculated static pressure, MW is the species or
mixture molecular weight, R is the universal gas constant, and T is the temperature.
Required Input (s): Molecular Weight in kg/kmol
Polynomial in T
This option will calculate the density as a function of temperature using a polynomial.

Required Input (s): Polynomial Coefficients
Piecewise Linear In T
This option is available when the Heat Transfer Module is activated. The temperature and the
corresponding density at that temperature must be input, which the CFD-ACE-SOLVER will take
and use to interpolate between values to set the density. The interpolation is done as follows:

25
Required Input (s): Data pairs of Temperature and Density
Mix Polynomial in T
The density of the mixture is evaluated as

where

is the density of the species i as a function of temperature.
Required Module (s): Flow, Chemistry
Required Input (s): Polynomial Coefficients for each
species used in the model. The values need to be entered
in the Database Manager under the Species Physical Tab.
The Mix Piecewise Linear in T option calculate the density of each species in the same manner
as the Piecewise Linear in T option. The mixture density is then calculated as:

Required Input (s): Data pairs of Temperature and Density
for each species used in the model. The values need to be
entered in the Database Manager under the Species
Physical Tab.
Cavitation Model
Using the Cavitation model, the density calculated is a mixture density, i.e. a mixture of vapor and
liquid. The mixture density (r) is a function of the vapor mass fraction (f), which is computed by
solving a transport equation simultaneously with the mass and momentum conservation
equations. The mixture density is calculated using the following relationship:

where
v
is the vapor density and
l
is the liquid density. Note that, if the Cavitation module is
activated all fluid volumes must use the Cavitation model for evaluation of the density. For more
information on this model, please refer to the Cavitation Module chapter.
Required Module (s): Flow, Cavitation
Required Input (s): Absolute Saturation Pressure, Liquid
Phase Density, Vapor Phase Density.
26
Flow Module
User Subroutine (UDENS)
This option is available for implementing a user defined evaluation for density if the option is not
available through CFD-ACE-GUI. The user subroutines required for setting the density are
UDENS and UDRHODP. UDRHODP is required to include compressibility of the flui d. For an
incompressible fluid, set DRHO_DP to a very small number (~ 1E-20). For more information on
user defined volume condition (property) routines, please refer to the volume condition routine
section of the User Subroutines chapter.
Viscosity
Constant (Kinematic)
The kinematic viscosity is given as follows:

where is the dynamic viscosity and is the density of the fluid.
Required Input (s): Kinematic Viscosity in m
2
/s
Constant (Dynamic)
The dynamic viscosity is given as follows:

where is the density of the fluid and v is the kinematic viscosity.
Required Input (s): Dynamic Viscosity in kg/m-s
Sutherland's Law
Sutherland's Law is given as follows:

where A and B are constants. The default value of A is 1.4605E-06 kg/m-s-K
1/2 and
B is 112K.
These values are for air at moderate temperature and pressures.
Required Input (s): Coefficients A and B
Polynomial in T
The Polynomial in T option is given as follows:

27
where C
0
, C
1
, C
2
, C
3
, C
4
, and C
5
are coefficients.
Required Input (s): Coefficients C
0
, C
1
, C
2
, C
3
, C
4
, and C
5

Piecewise Linear in T
The Piecewise Linear in T option will linearly interpolate between the specified viscosity and
temperature data.
Required Input (s): Number of data pairs, Temperature,
Dynamic Viscosity (kg/m-s)
Mix Kinetic Theory
[1]

The Mix Kinetic Theory option will use the kinetic theory of gases to calculate the viscosity of the
gas or mixture of gases. For a pure monatomic gas, the viscosity is defined as

where
i

= dynamic viscosity of species i
MW
i
= molecular weight of species i
T = temperature in Kelvin
o
i

=
characteristic diameter of the molecule in
Angstroms

= collision integral

The collision integral, O
, is given by

where T
*
is the dimensionless temperature and is given by

where c is the characteristic energy, k is Boltzmann's constant, and T is the temperature. To
calculate the mixture viscosity using kinetic theory, the following equation is used:

where:
x
i
,x
j
= mass fraction of species i and species j
i

= viscosity of species i
28
Flow Module

= dimensionless quantity

and u
i,j
is given by:

Required Input (s): Molecular Weight of each species,
Characteristic Energy, and Collision Diameter. These
quantities must be input in the Database Manager for each
species.
Mix Sutherland's Law
The Mix Sutherland's Law option is applicable when multiple species are present in a system.
The viscosity for each species is calculated using Sutherland's Law, which is shown above. The
mixture viscosity is then calculated using mix kinetic theory of gases.
Characteristic Energy, Collision Diameter, and the A and B
coefficients for Sutherland's Law. These quantities must
be input in the Database Manager for each species.
This method will use the temperature and viscosity data pairs to linearly interpolate the viscosity
for each species. Once all the species viscosities have been determined, the mixture viscosity is
calculated using mix kinetic theory.
Required Input (s): Temperature and Viscosity data pairs.
These quantities must be input in the Database Manager
for each species.
Mix Polynomial in T
This method will use a polynomial, just like in the Polynomial in T method above, to calculate the
viscosity of each species. Once all the species viscosities have been determined, the mixture
viscosity is calculated using mix kinetic theory.
0
, C
1
, C
2
, C
3
, C
4
, and C
5
for
each species
Mix Polynomial in T (Liq)
29
This option will use a polynomial to calculate the viscosity of each species. Once all the species
viscosities have been determined, the mixture viscosity is then calculated using the following
formula:

where
x
i
i

=
viscosity of species i calculated using a
Polynomial in T

Required Module (s): Flow, Chemistry (Liquid)
0
, C
1
, C
2
, C
3
, C
4
, and C
5
for
each species
Power Law
[1]

This option will use a non-newtonian Power Law model to calculate the viscosity of the fluid. The
Power Law model is :

where

0

= the zero shear rate viscosity
K, a
1
, a
2
,
a
3
, a
4
, B
= constants characterizing the fluid
n = the power law index
T
= temperature

= the cutoff shear rate

= the local calculated shear rate
For a temperature dependent viscosity, a
1
or a
2
need to be non zero values. If a
1
, a
2
, a
3
, a
4
,
0,

and are set to zero, then the simplest for of the Power Law model is recovered, which is the
two-parameter power law given by
[7]
The power law index will determine the classification that the fluid falls in:
n = 1 (the fluid is Newtonian)
n > 1 (a shear thickening fluid (dilatant fluid))
n < 1 (a shear thinning fluid (pseudo-plastic))

Required Module (s): Flow, Chemistry (Liquid)
30
Flow Module
Required Input (s): Mu_0, N, D0, K, A
1
, A
2
, A
3
, A
4

Carreau Law
[1]

This option will use the Carreau Law model to calculate the viscosity of the fluid. The Carreau
Law model is:
[8]
where
0

= the zero shear rate viscosity

= the infinite shear rate viscosity
n = the power law index
T
= temperature
a = constant


= the second invariant of the strain rate tensor

If a is two, then the Bird-Carreau model is recovered.
Required Module (s): Flow (Fluid Subtype is Liquid)
Required Input (s): Mu_0, Mu_inf, N, K, A
Power Law (Blood)
[3]

This model is available when solving for Flow and the subtype of the fluid is liquid. The model is:

where

and


= the consistency constant

= 0.035 (default) {the limiting (Newtonian) viscosity}
A
= 0.25 (Default)
a = 50 (Default)
b = 3 (Default)
c = 50 (Default)
31
d = 4 (Default)
An
0.45 (Default)

= 1.0 (Default)

This model expects all the inputs in CGS units, since parameters in literature are available in
these units). This model has been established for shear rates varying from 0.1 s-1 to 1000 s-1.
Required Input (s): Mu_inf, Delta Mu, Ninf, Delta N, A, B, C,
D
Casson Model
[2]

This model is available when solving for Flow and the fluid subtype is liquid. The model is:

where

and

t
y

=
the yield stress in shear given by t
y
= (0.0625Hct)
3

Hct =
the blood hematocrit and should be specified as a
fraction between 0 and 1
q
= a constant
q
0

= the viscosity of the plasma

The Casson model is normally used for low shear rates (< 10 s-1) and Hct < 40%. The input
values for this model should be in CGS units.
Required Input (s): Muinf, Ninf
Walburn and Schneck
[4]

This model is available when solving for Flow and the fluid subtype is liquid. The model is:

where

t
y

=
the yield stress in shear given by t
y
= (0.0625Hct)
3

Hct = the blood hematocrit and should be specified as a
32
Flow Module
percentage
a
1
= 0.00797 (Default)
a
2
= 0.0608 (Default)
a
3
= 364.625 (Default)
a
4
= 0.00499

The constant a
3
represents the effect of TPMA (Total Protein Minus Albumin) in the blood and
corresponds to a TPMA of 2.6g/100mL. The Walburn-Schneck model has been developed for a
TPMA range of 1.5-3.8 g/100mL. If necessary, the constant a
3
can be linearly scaled to model
blood with a TPMA different from 2.6g/100mL. The Walburn-Schneck model has been validated
for a Hct range of 35-50% (common physiological range) and a shear rate ranging from 30-240s-
1.
Required Input (s): A1, A2, A3, A4, and Hematocrit
Boundary Conditions
Flow Module
Boundary Conditions
Click the Boundary Conditions [BC] tab to see the Boundary Conditions Panel. See Control
Panel-Boundary Conditions for details. To assign boundary conditions and activate additional
panel options, select an entity from the viewer window or the BC Explorer.
The Flow Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary
conditions. (See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions, or Arbitrary
Interface Boundary Conditions for details on these types of boundary conditions and instructions
for how to implement them.)
All of the general boundary conditions for the Flow Module are located under the Flow tab and
can be reached when the boundary condition setting mode is set to General. Each boundary
condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). See Control Panel-Boundary Condition
Type for details on setting boundary condition types. This section describes the implementation of
each type with respect to the Flow Module. The Boundary Conditions section includes:
- Inlets
- Outlets
- Walls
- Rotating Walls
- Symmetry
- Interfaces
- Thin Walls
- Cyclic
Flow Module
Boundary Conditions - Inlets
For any inlet boundary condition the Flow Module ultimately needs to know how to set the
velocity, density and temperature for each cell face on the boundary condition patch. There are
various ways to specify this information and there are four methods (known as subtypes)
available in CFD-ACE+:
33
- Fixed Velocity
- Fixed Mass Flow Rate
- Fixed Total Pressure
- Fixed Pressure
Inlet Sub Type
Fixed Velocity
This inlet subtype allows you to set the velocity, pressure (used only to calculate inlet density),
and temperature for each boundary face on the inlet to a fixed value (this effectively fixes the
mass flow rate). The velocity vector is specified directly and the code calculates the density using
the specified values of pressure (P) and temperature (T) and the selected density method
(specified in the volume condition settings). For constant density flows, the pressure value is not
used.
Fixed Mass Flow Rate
This inlet subtype allows you to specify the velocity direction, pressure (used only to calculate
inlet density), temperature, and the total mass flow rate to be applied over the entire boundary
patch.

The velocity direction is specified directly and the code calculates the density using the specified
values of pressure (P) and temperature (T) and the selected density method (specified in the
volume condition settings). For constant density flows pressure is not used.

The velocity magnitude of each boundary face is determined by scaling the specified magnitude
(determined from the specified direction vector) to ensure that the desired mass flow rate is
obtained. The same scale factor is applied for all boundary faces on the inlet and is calculated as:

(1-25)

where:

= the specified total mass flow rate

= the vector direction (Nx, Ny, Nz)

The local velocity magnitude can then be determined by applying the same scale factor to all
boundary faces:

(1-
26)
Fixed Total Pressure
[1]

This inlet subtype allows you to fix the total pressure (Po) and total temperature (To) at the
boundary patch. For ideal gases, the total temperature and pressure are computed using:

34
Flow Module

(1-27)

(1-28)

where M is the Mach number. For incompressible flows the total pressure is computed using:

(1-
29)
Fixed Pressure
For fixed pressure inlets, the velocity is calculated at the cell center and then extrapolated to the
boundary face of the inlet. This velocity is used as the inlet velocity, since flow is assumed to be
coming into the domain.
Velocity Direction for Inlets
All of the inlet boundary condition subtypes allow for velocity directions to be specified in various
ways. There are several ways to specify the velocity directions at inlets:
- Cartesian
- Normal
- Cylindrical
- Swirler
The differences in these velocity direction specification modes is given below.
1. Cartesian - Allows you to specify the velocity magnitude in xyz components (U, V, W) for
fixed velocity inlets, or the velocity direction components (Nx, Ny, Nz) for fixed mass flow
or fixed total pressure inlets.
2. Normal - The code calculates the velocity direction based on the boundary face normal
direction. (The face normal always points into the computational domain).
3. Cylindrical - Allows you to specify the velocity direction in axial, radial, and tangential
components (Va, Vr, Vt). The axis of the cylindrical coordinate system is always the x-
axis.
4. Swirler - Used to simulate swirling flow at an inlet for three-dimensional models. A swirler
inlet is a circular or annular inflow region with axial, radial, and tangential velocity
components (Va, Vr, Vt). The axis of the swirler is defined by a specified vector (X1, Y1,
Z1) - (X2, Y2, Z2). Any boundary faces that lie within a specified radius from the axis (Ri
< r < Ro) will have the swirler condition applied.
The table summarizes the above information by listing the available inlet boundary condition
subtypes (with different velocity direction specification options). The table also shows the
variables required for each subtype.
Sub Type Required Variables
35
Fixed Velocity (Cartesian)
P, T, U, V, [W]
3D,2Ds
,
[Omega]
2Ds

Fixed Velocity (Normal) P, T, Vn
Fixed Velocity (Cylindrical) P, T, Va, Vr, [Vt]
3D,2Ds

Fixed Velocity (Swirler)
3D

P, T, Va, Vr, Vt, Ri, Ro, X1,
Y1, Z1, X2, Y2, Z2
(Cartesian)
P, T, Nx, Ny, [Nz]
3D,2Ds
,
[Omega]
2Ds
, Mdot
(Normal)
P, T, Mdot
(Cylindrical)
P, T, Va, Vr, [Vt]
3D,2Ds
, Mdot
(Swirler)
3D

P, T, Va, Vr, Vt, Ri, Ro, X1,
Y1, Z1, X2, Y2, Z2
Fixed Total Pressure (No
Direction)
Po, To
(Normal)
Po, To
(Cartesian)
Po, To, Nx, Ny, [Nz]
3D,2Ds

(Cylindrical)
Po, To, Va, Vr, [Vt]
3D,2Ds

Fixed Pressure P, T
3D
Available for 3D simulations.
2Ds
Available for axisymmetric 2D swirl simulations.
Flow Module
Boundary Conditions - Outlets
For any outlet boundary condition the Flow Module needs to know how to set either the static
pressure or the mass flow rate for each cell face on the boundary condition patch. There are
various ways to specify this information and for outlet boundary conditions there are four methods
(know as subtypes) available:
- Fixed Pressure
36
Flow Module
- Farfield
- Fixed Velocity
- Extrapolated
Note that inflow through an outlet can occur anytime during the solution convergence process
(even if the final solution indicates all outflow) so it is recommended that you supply a reasonable
temperature value. If the final solution shows inflow through an outlet boundary condition, then
this indicates that the boundary condition may not have been located in an appropriate place.
When this happens an unphysical solution as well as convergence problems may be the result
and we recommend that you relocate the outlet boundary condition to an area where there is total
outflow if possible.
Also note that for Farfield boundaries, used as intended, inflow through the outlet is perfectly fine.
However, for outlet boundaries where only outflow is expected, inflow becomes problematic
which indicates that the outlet boundary may not have been located in the appropriate place..
Fixed Pressure
This outlet subtype allows you to specify the static pressure at the outlet location. All other
variables (U, V, W, T) will be calculated by the code if the flow at the outlet boundary condition is
out of the computational domain.
If the flow happens to be coming into the computational domain at the outlet then the solver treats
the boundary condition as an inlet. Hence, you may optionally specify a temperature (T) to be
used only in the case that there is inflow through the outlet boundary condition.
Farfield
This outlet subtype can be used if there is a possibility that there is inflow and outflow along the
same boundary patch, as might be found at a Farfield boundary of an external flow problem (i.e. a
free-stream condition). This subtype is the same as the fixed pressure subtype except that it
allows you to specify a velocity, which will be used to calculated the convective momentum flux
across the boundary (mdot*backflow_velocity). As such, it has only a small effect
on the flow rate, mdot, across the boundary. This velocity will not be used as in
the inflow velocity if inflow does occur through an outlet.
Fixed Velocity
This outlet subtype is actually the same as the fixed velocity (Cartesian) inlet subtype, the only
difference being that the velocity vector is usually set to be pointing out of the computational
domain.
This subtype has been provided as a convenience to specify the mass flow rate at an outlet
boundary condition. It is recommended to use this boundary condition only if the mass flow rate at
the outlet boundary is known and a fixed total pressure subtype is being used at the inlets. Note
that this approach can sometimes produce convergence problems. These problems can
sometimes be overcome by running the simulation as transient to a steady state solution.
Extrapolated
This outlet subtype will extrapolate all boundary information from the cell center to the boundary
face if the Mach number at the cell center is greater than 1.0. If the Mach number is less than 1.0
then the boundary condition reverts to a fixed pressure subtype and sets the boundary static
pressure (P) to that specified. All other comments about the fixed pressure outlet apply to this
subtype if the Mach number is less than 1.0.
37
The Extrapolated subtype should only be used when the flow at the outlet is expected to be
supersonic.
The table below summarizes the above information by listing the available outlet boundary
condition subtypes. The table also shows the required variables and optional variables for each
subtype.
Outlet Boundary Condition Subtypes and Variables
Available
Subtypes
Required Variables
Optional
Variables
Fixed Pressure P T
Farfield P, T, U, V, [W]
3D,2Ds
, [Omega]
2Ds

Fixed Velocity P, T, U, V, [W]
3D,2Ds
, [Omega]
2Ds

Extrapolated P, T
3D
Available for 3D simulations.
2Ds
Available for axisymmetric 2D swirl simulations.
Flow Module
Boundary Conditions - Walls and Rotating Walls
Walls
The Flow Module requires the specification of velocity for any wall boundary condition, which in
most cases is zero. The required flow variables are U, V, and W or Omega (W being present
only in 3D and 2D swirl simulations, and Omega present only in 2D swirl simulations.) No-slip
boundary conditions are the default settings (i.e, U=V=W=0 at the wall). If the wall is moving then
velocity values should be specified.
If you activate the High Order Wall Local simple flow model (see Model Options-Simple Flow
Models) then you will have the opportunity to select which reduced flow model to apply to the
selected wall boundary condition. The choices are Not Wall Model, One Cell Wall, and Second
Order Wall.
Rotating Walls
A rotating wall boundary condition can be used to set a rotational velocity profile on a wall. The
required variables for the Flow Module are Cx, Cy, Cz (the xyz location of any point on the axis of
rotation), and Wx, Wy, Wz (an omega vector that defines the rotation direction).
If the High Order Wall Local reduced flow model has been activated (see Model Options-Simple
Flow Models) then you will have the opportunity to select which reduced flow model to apply to
38
Flow Module
the wall boundary condition. The choices are Not Wall Model, One Cell Wall, and Second Order
Wall.
Flow Module
Boundary Conditions - Symmetry
The symmetry boundary condition is a zero-gradient condition. Flow is not allowed to cross the
symmetry boundary condition. There are no Flow Module related values for symmetry boundary
conditions.
Flow Module
Boundary Conditions - Interfaces
The interface boundary condition is used to allow two computational regions to communicate
information. There are no Flow Module related values for interface boundary conditions.
Interface boundary conditions can be converted to Thin Walls (see Thin-Wall Boundary
Conditions). Also see Arbitrary Interface Boundary Conditions for information on other ways for
computational domains to communicate.
Flow Module
Boundary Conditions - Thin Walls
The Flow Module fully supports the Thin Wall boundary condition. See Thin-Wall Boundary
Conditions for instructions on how to setup a Thin Wall boundary condition.
The Flow Module treats a thin wall boundary condition the same as a wall boundary condition
(see Walls). Therefore, under the Flow tab, inputs are available for wall velocity specification. This
wall velocity will be applied to both sides of the Thin Wall boundary condition.
Flow Module
Boundary Conditions - Cyclic/Periodic
Cyclic BC
The Flow Module fully supports the Cyclic boundary condition. See Cyclic Boundary Conditions
for instructions on how to setup a Cyclic boundary condition. There are no Flow Module related
settings for the Cyclic boundary condition.
Periodic BC
The Flow module fully supports periodic boundary conditions. When periodic boundaries are
used, either the pressure drop or mass flow rate must be specified.

Flow Module
Initial Conditions
Click the Initial Conditions [IC] tab to see the Initial Conditions Panel. See Control Panel-Initial
Conditions for details.
The Initial Conditions can either be specified as constant values or read from a previously run
solution file. If constant values are specified then you must provide initial values required by the
Flow Module. The values can be found under the Flow tab and the following variables must be
set; P, T, U, V, and W or Omega (W being present only in 3D and 2D swirl simulations, and
Omega present only in 2D swirl simulations.)
39
If the Heat Transfer Module has been activated, then the Initial Condition for temperature will be
located under the Heat tab.
Although the Initial Condition values do not affect the final solution, reasonable values should be
specified so that the solution does not have convergence problems at start-up.
For problems with fixed pressure outlet conditions, it is often best to set the initial pressure to the
outlet pressure and the initial velocities to some reasonable value. For problems with total
pressure inlet conditions, it is often best to set the initial pressure equal to the inlet pressure and
the initial velocities to zero.
Flow Module
Solver Control Settings
Spatial Differencing Tab
Under the Spatial Differencing tab, you may select the differencing method to be used for the
convective terms in the equations. Activating the Flow Module enables you to set parameters for
velocity and density calculations. The default method is first order Upwind. See Spatial
Differencing Scheme for more information on the different differencing schemes available and
Discretization for numerical details of the differencing schemes.
Solver Selection
Under the Solvers tab you may select the linear equation solver to be used for each set of
equations. Activation of the Flow Module allows settings for the velocity and pressure correction
equations. The default linear equation solver is the conjugate gradient squared + preconditioning
(CGS+Pre) solver with 50 sweeps for the velocity equations and 500 sweeps for the pressure
correction equation. The default convergence criteria is 0.0001. See Solver Selection for more
information on the different linear equation solvers available. See Linear Equation Solvers for
numerical details of the linear equation solvers.
Relaxation Parameters
Under the Relaxation tab you may select the amount of under-relaxation to be applied for each of
the dependent (solved) and auxiliary variables used for the flow equations. Activating the Flow
Module enables you to set the velocity and pressure correction dependent variables, as well as
the auxiliary variables; pressure, density, and viscosity. See Under Relaxation Parameters for
more information on the mechanics of setting the under relaxation values and Under Relaxation
for numerical details of how under-relaxation is applied.
The velocity and pressure correction equations use an inertial under relaxation scheme and the
default values are 0.2. Increasing this value applies more under-relaxation and therefore adds
stability to the solution at the cost of slower convergence.
The calculations for pressure, density, and viscosity use a linear under-relaxation scheme and the
default values are 1.0. Decreasing this value applies more under-relaxation and therefore adds
The default values for all of the under relaxation settings will often be sufficient. In some cases,
these settings will have to be changed, usually by increasing the amount of under relaxation that
is applied. There are no general rules for these settings and only past experience can be a guide.
Variable Limits
Settings for minimum and maximum allowed variable values can be found under the Limits tab.
CFD-ACE+ will ensure that the value of any given variable will always remain within these limits
by clamping the value. Activating the Flow Module enables you to set limits for the following
variables; U, V, W (for 3D or 2D swirl cases), Pressure, Density, and Viscosity. See Variable
Limits for more information on how limits are applied.
40
Flow Module
Advanced Settings
Shared
Buffered Output

Higher Accuracy
Flow
There are two settings under the advanced options tab: Cut Diffusion at Inlets and CFL
Relaxation.
The Inlet Diffusion option allows you to disable the diffusive link to an inlet boundary. For low
pressure transport problems this may be important because it allows you to prevent the diffusive
loss of species through an inlet and gives you better control over the amount of each species in
the domain since you only have to account for inlet convection.
When using CFL based relaxation, an effective time step is calculated for each computational cell
(local time stepping). The size of the cells effective time step is calculated by determining the
minimum time scale required for convection, diffusion, or chemistry to occur in that cell. This
minimum time scale is then multiplied by a user input factor to determine the final effective time
step which will be used for that cell.
The default inertial relaxation method can be switched to the CFL based relaxation method by
going to SC-->Adv and checking the appropriate check boxes for each module. The relaxation
factor defined in SC-->Relax is used as the CFL multiplier.
Rule of Thumb: Inverse value of the usual inertial relaxation factor.
Effect of Value:
- 5 = Default Value
- 1 = More stability, Slower convergence
- 100 = Less stability, Faster convergence
The CFL based relaxation method is not available for all modules.
Flow Module
Output Options
The desired output can be specified under the Out (Output) tab. There are two types of output
available, Printed and Graphical. Printed output will be written to a text file, whether it be the
modelname.out file or another file. Graphical output will be written and stored in the DTF file and
available for further post-processing in CFD-VIEW.
Output
For steady state simulations, there are two options for when results will be written to the DTF file.
The first is End of Simulation. This option will only write results to the DTF file once the
maximum number of iterations has been reached or when the specified convergence criteria is
achieved. The Specified Interval option allows for results to be written at certain intervals during
the solution process. The file will be uniquely named in the following way:
modelname_steady.000025.DTF. A unique file can be created or the results can be written to
the same DTF file, modelname.DTF.
For transient simulations, the results will be written out at the specified time step frequency.
41
Printed Output
Under the Print tab, select the printed information to be written to the text based output file
(modelname.out). Activating the Flow Module allows output of a Mass Flow summary and a Force
summary in addition to the general printed output options. The Diagnostics option will print more
information to the modelname.out file, which may be useful if problems are encountered. For
more information on the BC Integral Output option, please refer to Appendix A: CFD-ACE+ Files.
The mass flow summary will provide a tabulated list of the integrated mass flow (kg/s) through
each flow boundary (inlets, outlets, interfaces (if include interfaces is selected)). The force
summary will provide a tabulated list of the pressure and viscous forces (in Newtons) integrated
over each solid boundary (walls, fluid/solid interfaces, etc.) as well as the integrated torque (in N-
m) over the same boundary conditions about the x, y and z axes.
Graphical Output
Under the Graphics tab, you can select which variables to output to the graphics file
(modelname.DTF). These variables will then be available for viewing and analyzing in CFD-
VIEW. Activating the Flow Module enables output of the variables listed in the table:
Post Processing Variables
Variable Description Units
U, V, W Velocity Vector m/s
U_absolute,
V_absolute,
W_absolute
Absolute Velocity Vector m/s
VelocityMagnitude Velocity Magnitude m/s
P Static Pressure N/m
2

P_tot Total Pressure N/m
2

Vislam Laminar Viscosity kg/m/s
Vorticity Vorticity -
STRAIN_RATE Strain Rate 1/s
RESIDUAL_U X-Direction Velocity Residual kg-m/s
2

RESIDUAL_V Y-Direction Velocity Residual kg-m/s
2

RESIDUAL_W Z-Direction Velocity Residual kg-m/s
2

RESIDUAL_P Pressure Residual kg/s
Flow Module
Post Processing
CFD-VIEW can post-process the solutions. When the Flow Module is invoked, the velocity and
pressure fields are usually of interest. A complete list of post processing variables available as a
result of using the Flow Module is shown in the table. Use CFD-VIEWs vector plot and stream
trace features to view the velocity field. The pressure field can be viewed with surface contours
and analyzed through using point and line probes.
42
Flow Module
U, V, W Velocity Vector m/s
U_absolute,
V_absolute,
W_absolute
Absolute Velocity Vector m/s
VelocityMagnitude Velocity Magnitude m/s
2

2

Vislam Laminar Viscosity kg/m/s
Vorticity Vorticity -
STRAIN_RATE Strain Rate 1/s
RESIDUAL_U X-Direction Velocity Residual kg-m/s
2

RESIDUAL_V Y-Direction Velocity Residual kg-m/s
2

RESIDUAL_W Z-Direction Velocity Residual kg-m/s
2

RESIDUAL_P Pressure Residual kg/s
The mass flow summary and force summary written to the output file (modelname.out) are often
used to determine quantitative results. The mass flow summary can also be used to judge the
convergence of the simulation. Due to the law of conservation of mass, the summation of all
mass flow into and out of the computational domain should be zero (unless mass sources or
sinks are present). In the simulation a summation of exactly zero is almost impossible, but you
should see a summation that is several orders of magnitude below the total mass inflow.

Vorticity is calculated as follows:

The Strain Rate components are shown below. The Strain Rate reported in CFD-ACE+ is the
magnitude of all the components.

The following are forces which are written out when the Force Summary is activated under the
Printed output option for the flow module.
43
Pressure forces are calculated in the following manner:

where A is the face area, FC is the face normal x-component, y-component, or z-component, and
P is the pressure. The shear forces are calculated in the following manner:

where
l
is the laminar viscosity, A is the face area, V
rel
is the relative velocity at the boundary in
the x-direction, y-direction, or z-direction, and x
N
is the distance from the cell center to the face
center. The pressure moments are calculated in the following manner:

where FC is the face center location for a given x, y,or z component and P is the pressure force
for a given x, y, or z component. The viscous moments are calculated in the following manner:

where FC is the face center location for a given x, y,or z component and F
sh_i
is the shear force
for a given x, y, or z component.
Flow Module
Frequently Asked Questions
Why do I have to specify the pressure at a fixed velocity or fixed mass flow inlet boundary
condition?
The Flow Module ultimately needs to set the value of density at the inlet boundary condition. The
pressure specified for a fixed velocity or fixed mass flow inlet will only be used to calculate the
density at that inlet. Since the inlet pressure is only used to calculate the inlet density, it is not
required when the fluid density is constant. Note that the solution results will show the calculated
inlet pressure, not the specified inlet pressure. See Fixed Velocity or Fixed Mass Flow Rate for
more information.
Why is the velocity zero in CFD-VIEW when I use the one-cell model?
For the One Cell Model, the velocity in CFD-VIEW will appear to be zero. This is due to the fact
that all the nodes lie on a wall boundary, and the velocity at the wall is zero for no-slip conditions.
44
Flow Module
What is the reference density? What value should I enter?
Buoyancy-driven flows are those in which density variations cause the fluid motion. Examples
include low-pressure mixing of gases and natural convection heat transfer. In CFD-ACE+, you
must activate Gravity on the MO/Shared tab if you want to capture buoyancy effects. Gravity is
Off by default because hydrostatic pressure variations do not contribute to fluid motion in steady
flows, and because the effect of hydrostatic pressure variation on fluid density is usually small
(non-existent for incompressible fluids).
Once youve activated it, an additional input option appears, asking you to choose how the
Reference Density is to be calculated. The reference density is explained below and what you
need to know to select the write option for your case.
The acceleration due to gravity of a fluid in any given control volume is g. In CFD-ACE+, =
0
+ ', where
0
is the reference density, and the gravitational body force is implemented as -'g.
Omitting the
0
g term in the momentum equation produces a pressure field p*, as follows:

In other words, the hydrostatic pressure variation is omitted. This formulation is useful because it
simplifies the specification of pressure boundary conditions.
Consider buoyant flow along a heated wall, as shown below in the figure below. The pressure
along the open boundary should vary linearly with height, but in order to specify this variation we
would have to use a profile boundary condition or a user subroutine. By omitting the
0
g term, we
are able to specify a constant pressure on all 3 open boundaries and set up this type of problem
with ease.

The only drawback to this formulation is that you can no longer see hydrostatic pressure
variations in CFD-VIEW, only those pressure differences due to the velocity field.
There are two ways to specify the reference density, Automatic and User-Specify. The
Automatic option behaves one of two ways, depending on whether the system is open or closed.
For open systems such as the example above, reference density is calculated from the initial
solution as the average density over all inlet/outlet boundaries. For closed systems, such as a
box heated on one side only,
0
is the average density over the entire domain.
The Automatic reference density option is not appropriate for every problem involving gravity,
only for buoyant flows where the driving forces for fluid motion are density differences. For
unstable transient cases where the weight of the fluid causes fluid motion, the User Specify
45
option should be chosen and the reference density set to zero. In addition, the initial pressure
field must include the hydrostatic pressure variation, i.e. must be physically realizable. Most likely
you would need a UINIT user subroutine for such cases.
In general, there is no harm in using the Automatic reference density option. However, if there is
any doubt, choose the User-Specify option and set the reference density to zero, while paying
special attention to any pressure boundary conditions, i.e. dont forget to include hydrostatic
variations. Also, be aware that an initial guess of p = 0 everywhere may be very harsh for steady-
state cases and can cause convergence problems. Increased velocity relaxation and/or a better
initialization of the pressure field can get around such problems.
What settings should I use for natural convection problems with ambient boundaries?
For natural convection problems, it is imperative that the boundary conditions are specified
properly. Often, the mistake is in the specification of pressure on an ambient "free" (or outlet)
boundary. The common practice is to use a reference pressure that is equal to the ambient
pressure and to set the pressure at the free boundaries to zero. This is a correct specification
only if the ambient boundaries all have exactly the same elevation. If there is an difference in
elevation between the free boundaries then there is a pressure difference between the
boundaries which we usually taken to be equal to gh, where h is the difference in elevation.
Incorrect Boundary Conditions
This problem can be seen clearly by simulating a "null" problem - that is, one where the we know
the trivial solution to have no temperature difference and no motion. Such a problem is illustrated
in Figure 1, where the flow along a vertical flat plate is modeled, but the plate temperature is set
to be equal to the ambient temperature.

Figure 1. Test problem conditions
46
Flow Module
If this problem is modeled using the ideal gas law for the fluid density and assign zero pressure to
all the free boundaries, the result is clearly incorrect and is shown in Figure 2. Although the
temperature field is not shown, it was checked and verified to be a constant of 292K. The
resultant velocity field shown in Figure 2 has a maximum down ward velocity of almost 3m/s.
This error occurs because the external pressure gradient was neglected when the pressure was
specified at the "free" boundaries.

Figure 2. Solution using ideal gas law and zero pressure at boundaries
Correct Boundary Conditions
There are at least three ways to correct the problem definition so that we actually describe the
problem we want to solve and obtain the correct solution. They are the follow:
1. Change nothing except the specification of the boundary pressures. This requires a
pressure specification that varies with y for the vertical boundary.
2. Assign a reference density to be used in the calculation of the buoyancy source term.
3. Use the Boussinesq approximation.
Boussinesq Approximation
With the Boussinesq approximation, a constant fluid density is used, which is evaluated at the
specified reference temperature) and the buoyancy source is calculated as:
S = o-(T - T
ref
)*-g*Vol
If T
ref
is set equal to the ambient temperature and o equal to 1/T
ref
, then there will be no externally
imposed pressure gradient because there will be no source for cell where T = T
ref
. What we are
doing with this option is subtracting off the hydrostatic pressure variation which does not
contribute to fluid motion. If this option is used, the solution will be like Figure 3. We see a
47
downward velocity field predicted, but the velocity magnitude is effectively zero. This would be an
acceptable solution to this problem.

Figure 3. Solution with Boussinesq approximation
Use of Reference Density
A second, alternative problem specification is to retain the ideal gas law density option, but use a
reference density. This changes the source term calculation to:
S = ( -
ref
)g*Vol
If the reference density is evaluated at ambient temperature and pressure, then the zero pressure
boundary condition is correct for this problem as well because there will be no source term for
cells (or boundaries) at the reference conditions. Figure 4 shows the results for these conditions.
Again, there is a downward velocity field with a small velocity magnitude. For this problem, the
reference density was set equal to 1.21037999941. Using only six digits of precision gave
velocity magnitudes of the order of 0.01m/s.
48
Flow Module

Figure 4. Solution using reference density
Proper Specification of Boundary Pressures
The final option is to retain all settings as in our original problem definition, but correctly specify
the boundary pressures. Initially, a pressure of zero at the upper boundary, a pressure of gh at
the lower boundary and an exponentially varying pressure along the vertical boundary. The
pressure along the vertical boundary is exponential since the density varies with pressure rather
than being constant.
What relaxation settings should I use? What is the difference between an Interial and
Linear relaxation factor?
Under relaxation is a constraint on the change of a dependent or auxiliary variable from one
solution iteration to the next. It is required to maintain the stability of the coupled, non-linear
system of equations. The relax tab in the solver control panel (see Figure 1) allows the user to
set under-relaxation factors for each of the solved variables and the auxiliary variables.
49

Figure 1. Solver Control - Under Relaxation
The panel contains four columns: the first defines the variable, the second contains a slider bar
which can be used to adjust the value, the third contains up/down buttons to adjust the order of
magnitude of the value, and the fourth is a field for the under relaxation value itself.
We have different methods for applying under relaxation for the solved and auxiliary variables
that are listed below:
Inertial Relaxation (I):
Inertial under relaxation (I) is applied to variables, which are directly solved for (dependent
variables as determined by active modules) during the iterative procedure, for example,
velocities, pressure correction, enthalpy, etc.
- I usually varies from 0.0 to 2.0 with default value of 0.2.
- Increasing the value of I adds constraint. It means increasing I increases stability.
- Increasing the value of I slows convergence. It means an increase in I will take more
time to get the same order of convergence.
- Values of I greater than 1.5 are allowed but not recommended.
Linear Relaxation (L):
Linear under relaxation (L) is applied to all variables that are computed during the solution
procedure. These variables are called auxiliary variables, which are computed from the
solved (dependent) variables, for example, density, pressure, temperature etc.
- L usually varies from 0.0 to 1.0 with default value of 1.0.
- Decreasing the value of L adds constraint. It means decreasing L increases stability.
- Decreasing the value of L slows convergence. It means a decrease in L will take
more time to get same order of convergence.
It all can be summarized in Figure-2 and Figure-3 below.
50
Flow Module

Figure 2. Under Relaxation for Faster Convergence

Figure-3. Under Relaxation for More Stability
Note: Please note that relaxation values can help in getting faster convergence or it may help
prevent divergence. For a given problem (identical BC/VC/IC), change in relaxation values may
take more or less number of iterations to reach convergence. But as long as problem is fully
converged, you will get the same result irrespective of relaxation values.
Tips on troubleshooting your problems:
The following tips are just guidelines that can help in getting a converged solution or faster
convergence. The values on relaxation can be problem specific, so there are no hard and fast
rules as to which value one should use.
1. Problem Diverges:
If you see that your problem is diverging, you can try the following:
- Make sure that you have applied correct scaling and all input values (BC/VC) are
correct or at least in reasonable range.
- Check the residual and see what variable diverges or starts diverging first.
- Decrease the linear under relaxation (from 1.0 to say 0.7) for that variable.
- In order to make it more stable, you can also increase inertial under relaxation for the
corresponding solved (dependent) variable.
- For compressible flows, decreasing linear under relaxation for density helps.
51
- For problem involving heat transfer, if you see enthalpy is diverging, decreasing the
linear relaxation of temperature from default value of 1.0 to smaller value like 0.7 can
help in getting converged solution.
- For Fluid Structure Interaction problems, decreasing the linear relaxation on pressure
helps to moderate the pressure fluctuations seen by the stress solver, reducing the
displacement fluctuations and aiding in convergence.
- If it is a Fluid Structure Interaction problem and you encounter negative volumes, first
try to decrease the linear relaxation for pressure to a value of 0.3 or 0.2. If the
problems still exists, then you can try to decrease the linear relaxation for Grid
Deformation anywhere from 0.5 to 0.1. This basically restricts the grid deformation in
the solid volumes to 50% (if a value of 0.5 is used) of the actual value due to
sustained pressures every time you solve for stress during the time step. Upon
convergence, you still get the correct grid deformation.
- For complex physics, when small changes in relaxation do not work, change the
inertial relaxation values to 0.5. Also, reduce the linear factors to 0.3 and rerun. If
this does not work, change the inertial factors to 0.9 and the linear ones to 0.1. These
factors can be changed up to 1.5 for inertial and 0.01 for linear. Anything higher may
result in a solution that has been frozen to the initial field.
Another item that may help is a change to the AMG solver for pressure correction or enthalpy. If
convergence problems still persist, look at the residual information especially noting the location
of the maximum residual. Next examine the grid closely at this spot in CFD-VIEW and look for
skewness. Sometimes problem areas can be isolated by plotting the results every few iterations.
The problem area is generally the location where the flow field first becomes unstable.
2. Slower Convergence:
If you see that convergence is very slow, you can try following:
- Check the residuals and see what variable has slow convergence (might also remain
flat)
- Decrease the inertial under relaxation (from 0.2 to say 0.02) for that variable.
- For conjugate heat transfer problems, decreasing the inertial relaxation of enthalpy
from default value of 0.05 to smaller number like 1E-05 can help in faster
convergence.
- When solving for the electric module, decreasing the inertial relaxation of electric
potential from 0.0001 to smaller number like 1E-07 can help in faster convergence.
How is the stream function calculated?
The stream function technique is useful for solving two dimensional flow problems. As an
example, take two dimensional, incompressible flow in the x-y plane. For this situation, the
stream function can be derived as follows:

This equation can be satisfied by introducing a stream function +(x,y)such that:

therefore

52
Flow Module
Integrating this equation will yield the stream function. Lines of constant + are streamlines of the
flow, where d = 0.
In the case of steady simulation for a closed system which has no inlet/outlet, the
pressure/density does not follow the surrounding wall temperature change, and the mass
in the system is not conserved. How is this dealt with?
Basically, we make a correction to pressure to ensure continuity, not the density. For this case,
there is no correction to pressure (grad(rho*V) = 0).
Details for a closed system in steady state with isothermal walls.
For a closed system in steady state with isothermal walls, if the temperature is doubled then one
would expect the pressure to double. However, the density is reduced by a factor of two, which
represents a mass loss. This is due to the fact that grad(rho*V) = 0, and thus the pressure does
not change.
Flow Module
Examples
The following tutorials use the Flow Module exclusively:
- Laminar Flow Past a Backward Facing Step
- Supersonic Flow over a Bump or Ramp
The following tutorials use the Flow Module in conjunction with one or more other modules:
- Turbulent Flow Past a Backward Facing Step
- Natural Convection between Concentric Thick-walled Cylinders
- Oil Flow through a Compliant Orifice
- Turbulent Mixing of Propane and Air (with and without reactions)
- Transonic Flow Over NACA 0012 Airfoil
- Multi-step Reaction in a Gas Turbine Combustor
- Surface Reaction in a 2-D Reactor
- Generic Semiconductor Reactor
Flow Module
References
1. Bird, R. Byron, Warren E. Stewart, and Edwin N. Lightfoot. Transport Phenomena.
2
nd
ed. New York: John Wiley & Sons, Inc, 2002. pp. 23-27, 84, 240-243, 848, 866.
2. Fung, Y.C., Biomechanics: mechanical properties of living tissues. 2
nd
ed., Springer,
1993.
3. P.D. Ballyk, D.A. Steinman and C.R. Ethier. Simulation of NonNewtonian Blood
Flow in an EndtoSide Anastomosis, Biorheology, Vol. 31: pp. 565586, 1994.
4. Walburn, F.J. and D.J. Schneck, A Constitutive Equation for Whole Human Blood
Biorheology, Vol. 13, pp. 201-210, 1976.
5. Giersiepen M., Wurzinger, L.J., Opitz, R., and Reul, H., Estimation of Shear Stress-
Related Blood Damage in Heart Valve Prostheses - in vitro Comparison of 24 Aortic
Valves. The International Journal of Artificial Organs 13.5(1990): 300-306.
53
54
6. Veijola, T., Kuisma, H., and Lahdenpera, J., Equivalent Circuit Model of the Squeeze
Gas Film in a Silicon Accelerometer. Sensors and Actuators A 48(1995): 239-248.
7. W. Ostwald, Kolloid-Zeitschrift, 26, 99,-117 (1925); A. de Waele, Oil Color Chem.
Assoc. J., 6, 33-38 (1923).
8. P. J. Carreau, Ph.D thesis, University of Wisconsin, Madison (1968).

Heat Transfer Module
Introduction to the Heat Module
The Heat Transfer Module performs heat transfer analysis and is an integral part of the CFD-
ACE-SOLVER. Use the Heat Transfer Module for all situations where heat transfer processes
may have a significant impact on the final solution. Activating the Heat Transfer Module implies
the solution of the total enthalpy form of the energy equation.
Many types of heat transfer analysis can be performed with the Heat Transfer Module, from basic
conduction/convection to complex radiation modeling (with the use of the companion Radiation
Module discussed in Radiation Module). Heat transfer analysis can be performed in stand-alone
mode (pure heat transfer analysis) or coupled with other modules (such as the Flow, Mixing,
Stress Modules, etc.) for a multi-physics simulation. The Heat Transfer Module includes:
- Applications
- Features
- Theory
- Limitations
- Implementation
- Examples
- References
Applications
CFD-ACE+ can simulate many types of heat transfer problems. The simplest are pure heat
conduction problems (i.e., heat conduction through solids). More advanced applications will add
the simulation of flow or mixing phenomena, and the most advanced will add higher physical
models such as radiation and finite element stress solution. The Heat Transfer Module solves for
the energy in the system and can be used to produce the temperature field and energy transfer
characteristics of the model.
Thermal Field Calculations
The Heat Transfer Module is often used to determine the thermal field within a given geometry.
Use CFD-ACE+ to predict the temperature field for comfort analysis or to determine if the
materials can survive the temperature environment.
Heat Transfer Calculations
The Heat Transfer Module solves the energy (total enthalpy) equation, and can be used to
determine the heat transfer characteristics of the system. CFD-ACE+ can determine the heat
transfer rate through any boundary (internal or external) of the model. Heat transfer rate
calculations help determine heating or cooling requirements.
Pure Conduction Problems
The simplest heat transfer analysis problems are pure conduction problems. In these cases there
is no fluid flow and all of the volume conditions are solids. CFD-ACE+ can handle these problems
with ease and can simulate cases with multiple solids with different properties.
55
Conjugate Heat Transfer Problems
In many engineering problems, the flow domain consists of internal solids such as baffles, tubes,
fins, or vanes. Thermal energy transport can occur across solid-fluid interfaces. In such cases,
the fluxes on the solid and the fluid sides must match at the interface. This is the correct
conservative way to solve the energy equation, and is called Conjugate Heat Transfer (CHT)
analysis. Examples include cooling jacket flows, heat exchanger analysis, and ice-melting
(defrosting) on windshields.
Natural Convection Problems
The Heat Transfer Module (in conjunction with the Flow Module) can be used to solve natural
convection problems. These flows are seen in many applications, such as free convective cooling
problems, and cooling towers.
Multi-Physics Applications
The Heat Transfer Module can be used with (and is required by) many of the other modules in
CFD-ACE+ to perform multi-physics analyses. Some of the more commonly added modules are
given in the list below. Examples of these types of applications are described in each modules
section.
- Flow (with or without Turbulence)
- Radiation
- Mixing (with or without gas-phase and surface reactions)
- Spray (with or without evaporation)
- Stress
- Plasma
- Electrophysics
- Biochemistry
Features and Limitations of the Heat Module
Features
The Heat Transfer Module has the following built in features:
- The ability to model ice melting problems
- The ability to model moving (translating or rotating) solids (without grid motion)
- The ability to model solidification problems
- A special boundary condition to simulate a heat source adjacent to a wall
Ice Melting
The Ice Melting feature simulates the heat transfer requirements for the phase change of a
material from a solid state to a liquid state. The solver, however, will not allow the material to flow
after it has melted. This feature has been used extensively to simulate the transient defrosting
process of automobile windshields.
Solidification
The Solidification feature simulates the heat transfer in phase change during the solidification
process. Coupled with the flow module, this feature also allows you to simulate the mush flow in
56
the mushy zone. Two options are provided to describe the solidification process: isothermal and
mushy.
Moving Solids
The Moving Solids feature simulates the heat transfer convection in a rotating or translating solid
without the need for implicit grid motion. A volume condition can be selected to be moving so that
the heat flow due to the motion of the solid can be captured. This feature has been used, for
instance, to simulate the heating of translating parts in an oven, and the cooling of automotive
disk brake rotors.
Wall Heat Sources
The Wall Heat Source feature is an additional heat source/sink that can be applied to the cells
adjacent to wall boundary conditions. This allows the wall to be held to a fixed temperature, or
heat flux, for instance while the adjacent cells are supplied with heat by other means (such as a
thin (sub grid scale) strip heater or laser power deposition).
The wall, apart from being held at fixed temperature or heat flux, can also be held as adiabatic,
external heat (convect), external heat (radiate), or external heat (both). Therefore, all the options
under the Heat boundary conditions are applicable whenever you turn on the Wall Heat Source.
See Boundary Conditions-Walls for details.
Limitations
The following limitations apply when using the Heat Transfer module:
- When performing Ice Melting simulations, the solid known as ice is allowed to melt but is
not allowed to flow after it has been melted.
- Thin wall and parallel are not supported.
- Total heat source feature cannot be used in parallel runs, use volumetric heat sources
instead.
- Arbitrary Interface on a conjugate wall is not recommended.
Theory
The Theory section describes the mathematical equations used by the Heat Transfer Module.
See Numerical Methods for details on the methods used to solve these equations.
Heat transfer processes are computed by solving the equation for the conservation of energy.
This equation can take several forms and CFD-ACE+ numerically solves the energy equation in
the form known as the total enthalpy equation. This form is fully conservative and is given in
equation 2-1.[1]

(2-1)
where:
57
h
o
= the total enthalpy and is defined as:

(2-2)
where:
i

=
The internal energy and is a function of the state
variables and T
k
eff
=
The effective thermal conductivity of the material.
In laminar flow, this will be the thermal conductivity
of the fluid, k. In turbulent flows:

where o
t
is the turbulent Prandtl number.
p = The static pressure
t
ij
=
The viscous stress tensor which is described in
detail in the Flow Module-Theory section
S
h
contains terms for additional sources due to reactions, radiation, spray, body forces, etc. The
actual source term for each of these features is described in the section that explains that feature.
Heat Module Model Setup
Implementation and Grid Generation
The Heat Transfer section describes how to set up a model for simulation using the Heat Transfer
Module of the CFD-ACE-Solver. The Heat Transfer Implementation section includes:
- Model Setup and Solution - Describes the Heat Module related inputs to the CFD-ACE-
Solver
You can apply the Heat Transfer Module to any geometric system (3D, 2D planar, or 2D
axisymmetric). All grid cell types are supported (quad, tri, hex, tet, prism, poly).
The general grid generation concerns apply, for example, ensure that the grid density is sufficient
to resolve thermal gradients, minimize skewness in the grid system, and locate computational
If you have regions in the geometry that have heat sources applied, or are moving solids or ice
melting regions, then the regions where they exist must be separate volume conditions. Using
CFD-GEOM terminology, in a structured grid, these will be separate structured blocks in 3D or
faces in 2D. In an unstructured grid, the regions must be defined as separate unstructured
domains in 3D or loops in 2D. This will help assign these regions as heat sources, ice melting, or
moving solids.
Problem Type
58
Type for details.
Select Heat Transfer to activate the Heat Transfer Module. The Heat Transfer Module is required
for many simulations and can work in conjunction with most of the other Modules in CFD-ACE+.
The only exceptions are the Cavitation and Free Surface Modules which must be run as
isothermal problems.
Model Options-Shared Tab
There are no settings under the Shared tab that directly affect the Heat Transfer Module.
However, if free convection (buoyancy) flows are to be simulated then activation of the gravity
source term under the Shared tab will be necessary. See Control Panel-Model Options for details
about this option.
If you want to run a simulation using Chimera, simply activate the Chimera option then make the
appropriate Chimera settings in the VC and BC tabs. For more information on the Chimera Grid
option, please check the Chimera Grid Methodology chapter.
Model Options-Heat Tab
The model options for the Heat Transfer Module are located under the Heat tab.

Model Options Panel in Heat Transfer Settings Mode
Ice Melting
Select Ice Melting to activate the ice-melting module. It is designed to compute the defrosting
process for ice-build up on automobile windshields. The ice melting properties need to be
provided as volume conditions and are described in Volume Conditions-Ice Melting Properties.
Solidification
Select Solidification to activate the solidification module that is designed to compute the
solidification process and the phase change process. The solidification properties need to be
provided as volume conditions and are described in Volume Conditions-Solidification Properties.
Moving Solid
59
Select Moving Solid to compute the convective terms in solids in the energy equation.
Characteristics about the moving solids need to be provided as volume conditions and are
described in Volume Conditions-Moving Solid Properties).
Heat Module Volume Conditions
Volume Conditions
Click the Volume Conditions [VC] tab to see the Volume Condition Panel. See Control Panel-
Volume Conditions for details. Before any property values can be assigned, a volume condition
entity must be made active by picking a valid entity from either the Viewer Window or the VC
Explorer.
General heat sources can be specified by changing the volume condition setting mode to Heat.
For additional information, see Numerical Methods-Discretization-Direct Specification of Source
Terms, User Subroutines-User Defined Source Terms, and Solidification-Definition of Source
Terms. With the volume condition setting mode set to Properties, select any volume conditions
and ensure that the volume condition type is set to either Fluid or Solid.
There are two volume condition properties required by the Heat Transfer Module; specific heat
and thermal conductivity.
If the Ice Melting feature has been activated, then inputs for the properties of the ice are required
for solid volume conditions.
The methods used to evaluate the specific heat and conductivity properties and the required
inputs are given in the table, Specific Heat Evaluation Methods and Required Inputs, and the
following table, Conductivity Evaluation Methods and Required Inputs.
Specific Heat: Thermal Conductivity

Constant Constant User Subroutine (UCOND)
Polynomial in T Prandtl Number
Piecewise Linear in T Polynomial in T
Mix JANNAF Method Piecewise Linear in T
Mix Polynomial in T Mix Kinetic Theory
Mix Piecewise Linear in T Mix Piecewise Linear in T
User Subroutine
(UCPH_FROM_T)
Mix Polynomial in T
Specific Heat
Constant
The constant options allows for the specification of the specific heat. This option is appropriate
when the specific heat of the material does not depend on any other quantity, such as
temperature.
Required Module (s): Heat
Required Input (s): Specific Heat in J/kg-K
Polynomial in T
This option will calculate the specific heat as a function of temperature using a polynomial of the
form:

60
The temperature and the corresponding specific heat at that temperature must be input, which
the CFD-ACE-SOLVER will take and use to interpolate between values to set the specific heat.
The interpolation is done as follows:

where n is the index for the table of inputs and runs from 1 to number of data pairs.
Required Input (s): Data pairs of Temperature and Specific
Heat
Mix JANNAF Method
The mix JANNAF method is curve fits for calculating the specific heat and enthalpy of the
following form

The coefficients are obtained from curve fits of experimental data.
Required Module (s): Heat, Chemistry
Required Input (s): JANNAF coefficients, Lower
temperature limit, Break point temperature, and Upper
temperature limit
Mix Polynomial in T
The specific heat of the mixture is evaluated as

where

Required Input (s): Polynomial coefficients
61
The temperature and the corresponding specific heat at that temperature must be input for each
species, which the CFD-ACE-SOLVER will take and use to interpolate between values to set the
specific heat. The interpolation is done as follows:

where n is the index for the table of inputs and runs from 1 to number of data pairs. The specific
heat for each species is calculated and the mixture specific heat is then evaluated as:

Heat
User Subroutine (UCPH_FROM_T)
This option is available for implementing a user defined evaluation for specific heat if the option is
not available through CFD-ACE-GUI. The user subroutine required for setting the specific heat is
UCPH_FROM_T. For more information on user defined volume condition (property) routines,
please refer to the volume condition routine section of the User Subroutines chapter.
Thermal Conductivity
Constant
The constant options allows for the specification of the thermal conductivity. This option is
appropriate when the thermal conductivity of the material does not depend on any other quantity,
such as temperature.
Required Input (s): Thermal Conductivity in W/m-K
Prandtl Number
This option allows for the specification of the Prandtl number, which CFD-ACE-SOLVER will then
use to calculate the thermal conductivity. The thermal conductivity is then calculated as:

Required Input (s): Prandtl number
Polynomial in T
This option will calculate the thermal conductivity as a function of temperature using a polynomial
of the form:

62
The temperature and the corresponding thermal conductivity at that temperature must be input,
which the CFD-ACE-SOLVER will take and use to interpolate between values to set the thermal
conductivity. The interpolation is done as follows:

where n is the index for the table of inputs and runs from 1 to number of data pairs.
Required Input (s): Data pairs of Temperature and Thermal
Conductivity
Mix Kinetic Theory
[1]

The Mix Kinetic Theory option will use the kinetic theory of gases to calculate the thermal
conductivity of the gas or mixture of gases. For a pure monatomic gas, the thermal conductivity
is defined as

where
k
i
= thermal conductivity of species i
MW
i
= molecular weight of species i
T = temperature in Kelvin
o
i

=
characteristic diameter of the molecule in
Angstroms
O
k

= collision integral

The collision integral, O
k
, is given by

where T
*
is the dimensionless temperature and is given by

where c is the characteristic energy, k is Boltzmann's constant, and T is the temperature. To
calculate the mixture thermal conductivity using kinetic theory, the following equation is used:

where:
63
x
i
,x
j
i

= viscosity of species i

= dimensionless quantity

and u
i,j
is given by:

Characteristic Energy, and Collision Diameter. These
quantities must be input in the Database Manager for each
species.
The temperature and the corresponding thermal conductivity at that temperature must be input for
each species, which the CFD-ACE-SOLVER will take and use to interpolate between values to
set the thermal conductivity. The interpolation is done as follows:

where n is the index for the table of inputs and runs from 1 to number of data pairs. The specific
heat for each species is calculated and the mixture specific heat is then evaluated as:

Heat
Mix Polynomial in T
The thermal conductivity of the mixture is evaluated as

where

Required Input (s): Polynomial coefficients
64
User Subroutine (UCOND)
This option is available for implementing a user defined evaluation for thermal conductivity if the
option is not available through CFD-ACE-GUI. The user subroutine required for setting the
specific heat is UCOND. For more information on user defined volume condition (property)
routines, please refer to the volume condition routine section of the User Subroutines chapter.
Volume Conditions-Ice Melting Properties
If you have activated the Ice Melting feature, (see Heat Tab-Ice Melting for information on how to
activate this feature), you will be able to set phase change properties for any solid type of volume
condition. The default method is No Melting which means that the selected volume condition will
not undergo a phase change calculation. If you change the evaluation method to Constant, you
will be required to input the latent heat of fusion, melting temperature, and initial temperature. The
solver will account for the energy required for the phase change process.
See Also
Volume Conditions-Solidification Properties
Volume Conditions-Moving Solid Properties
If you have activated the Solidification feature (see Heat Tab-Solidification for information on how
to activate this feature), you will be able to set phase change properties for any fluid type of
volume condition. The default setting is No Solidification which means that the selected volume
condition will not undergo a phase change calculation. If the Isothermal option is selected, you
will be required to input the latent heat and solidification temperature.
If you choose the Mushy option, you must enter latent heat, melting temperature (TLow) and
solidification temperature (THigh). The solver will account for the energy required for the phase
change process. See Solidification Module-Solidification Process for details on the phase change
process.
See Also
If you have activated the Moving Solid feature, (see Heat Tab-Moving Solid for information on
how to activate this feature) you can set the moving solid parameters for each solid type of
volume condition.
To set moving solid parameters:
1. Set the volume condition setting mode to Heat.
2. Pick the volume conditions in the model that are of solid type.
3. Activate Moving Solid for the selected volume conditions.
4. Select a solid motion evaluation method (translation or rotation).
5. Specify the velocity (for translating solids) or rotation vector and center of rotation (for
rotating solids).

See Also
65
Boundary Conditions
Boundary Conditions-Introduction
The Heat Transfer Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface
boundary conditions. (See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions, or
Arbitrary Interface Boundary Conditions for details).
The boundary conditions for the Heat Transfer Module are located under the Heat tab and can be
reached when the boundary condition setting mode is set to General. Each boundary condition is
assigned a type (e.g., Inlet, Outlet, Wall, etc.). This section describes the implementation of each
type with respect to the Flow Module. The Boundary Conditions section includes:
- Inlets/Outlets
- Walls/Rotating Walls
- Symmetry
- Interfaces
- Thin Walls
- Cyclic
Boundary Conditions-Inlets/Outlets
Inlets
There are no Heat Transfer Module related settings available for inlet boundary conditions,
temperature at the inlet is specified under the Flow tab. See Inlets in Flow Module for more
information.
Outlets
There are no Heat Transfer Module related settings available for outlet boundary conditions,
temperature at the outlet is specified under the Flow tab. See Outlets in the Flow Module for more
information. The specified outlet temperature will only be used in the case where there is inflow
through the outlet boundary.
Boundary Conditions-Walls/Rotating Walls
There are two types of wall boundary conditions available for the Heat Transfer Module:
- The boundary condition itself (i.e., the computational boundary)
- The ability to add a heat source to the cells adjacent to the wall boundary condition
For the wall boundary condition, the Heat Transfer Module needs to know how to set the heat flux
for each cell face on the boundary condition patch. There are various ways to specify the
66
information and the following six methods (known as Heat Subtypes) are available when you click
the Heat tab, and select one of the following from the Heat Subtype pull-down menu.
Adiabatic Option
The wall Adiabatic subtype sets the heat flux to zero. The wall temperature is allowed to float and
will be calculated by the solver.
Isothermal Option
The wall Isothermal subtype enables you to set the wall temperature (T
w
) to a specified value.
The heat flux, qw, needed to maintain that value will be calculated by the solver as:

(2-3)
where:
k = fluid or solid conductivity
T
c
= cell center temperature
dx =
distance from the wall to the cell
center
Heat Flux Option
The wall Heat Flux subtype enables you to fix the wall heat flux to a specified value. The wall
temperature is allowed to float and will be calculated by CFD-ACE-SOLVER. When you select the
Heat Flux subtype, the following panel appears and prompts you to select additional features:

- Constant: a constant heat flux (W/m2) can be specified at this boundary
- Profile X: you can input heat flux (W/m2) as a profile of X (m)
67
- Profile Y: you can input heat flux (W/m2) as a profile of Y (m)
- Profile Z: you can input heat flux (W/m2) as a profile of Z (m)
- Profile 2D: you can input heat flux (W/m2) as a profile in a 2D plane
- Profile in time: you can input heat flux (W/m2) as a profile in time (s)
- Profile from file: you can input heat flux (W/m2) from an outside file (file name is required
and the default path is current directory). The format of profile BC file can be found in
Appendix A CFD-ACE+ Files.
- Parametric: you can input heat flux (W/m2) as function of X, Y, Z, and T(time, s).
- User Sub(ubound): heat flux (W/m2) will be specified by user subroutine. See User
Subroutines (UBOUND).
External Heat Transfer (by convection) Option
The wall External Heat Transfer (Convect) subtype simulates heat transfer to/from the external
environment (i.e., the area outside of the computational grid system) by convection. This subtype
fixes neither the wall temperature or heat flux. Instead, the heat transfer at the wall is calculated
as:

(2-4)
where:
h
c
= external heat transfer coefficient
T
ext
= external temperature
The wall temperature (T
w
) is determined by balancing the external and internal heat flux and
solving for the wall temperature.
External Heat Transfer (by radiation) Option
The wall External Heat Transfer (Radiate) subtype simulates heat transfer to/from the external
environment (i.e., the area outside of the computational grid system) by radiation. This subtype
fixes neither the wall temperature or heat flux. Instead, the heat transfer at the wall is calculated
as:

(2-5)
where:
o = Stefan-Boltzmann constant (5.6696E-8 W/m
2
-K
4
)
c
e
= external emissivity coefficient

= temperature of the radiation source or sink
w
68
External Heat Transfer (by convection and radiation) Option
The wall External Heat Transfer (Both) subtype combines the convection and radiation subtypes
so that the heat transfer at the wall is calculated as:

(2-6)
w
Solid Cell at Wall
The Solide Cell at Wall option provides a simple treatment on the heat transfer in the external
solid wall (no mesh is required in the wall). In the figures below, ic1 and ic2 are two cells
neighboring an external wall boundary and solid cells are added in Figure 2. The key idea is
described as:
The heat transfer between the wall and fluid cell:

(2-7)

T
w
= wall temperature
T
c
= temperature at the cell center
h
f
= fluid-side local heat transfer coefficient
Heat transfer from the solid cell to the fluid cell (no heat transfer from neighboring solid cells):

(2-8)

T
s
= temperature of the solid cell
k
s
= thermal conductivity of solid
d
n
= thickness of the solid border

Wall Boundary - No Solid Cell Wall Boundary - With Solid Cell
For fixed flux and adiabatic wall boundary conditions:
69

(2-9)
With isothermal wall, T
s
is fixed, then:

(2-9A)
High thermal conductivity in the solid will promote the heat conduction between the local
boundary cell and its neighboring cells. The promotion effect can be included in the calculation of
face conductivity.
Without solid cell, the face conductivity (between ic1 and ic2):

(2-10)
with solid cell:

(2-11)

A
s
= face area between two neighboring solid cells
A
f
= face area between neighboring fluid cells
k = conductivity
F = weight function
We recommend that this model be applied on smooth surfaces.
Wall Heat Source
When checked, this option enables you to have a heat source imposed on the cells adjacent to
any wall boundary condition. Wall sources specify additional sources of heat in cells adjacent to
wall boundary conditions while still maintaining the wall boundary condition as specified above
(e.g., isothermal, adiabatic, etc.). Upon activating the Wall Heat Source option, you will be
prompted to enter the per unit area heat source (W/m
2
) to be applied to all of the cells adjacent to
the active wall boundary condition. This effectively adds a volumetric heat source to those cells.
The total amount of heat added to each cell (W) will be the per unit area heat source value
specified (W/m
2
) multiplied by the area of the cells boundary face (m
2
). Wall heat sources are not
boundary conditions. They are additional conditions that are imposed at the wall and their value
must be known prior to the calculation.
Boundary Conditions-Symmetry
The symmetry boundary condition is a zero-gradient condition. Heat Transfer is not allowed to
cross the symmetry boundary condition so it effectively behaves as an adiabatic wall. No values
need to be specified for symmetry boundary conditions.
70
Boundary Conditions-Interfaces
The interface boundary condition is used to allow two computational regions to communicate
information. If the interface boundary condition is used to separate two solid regions, or to
separate a solid and fluid region then a Wall Heat Source may be added. Interfaces that exist
between two fluid regions cannot be used for Wall Source specification.
Interface boundary conditions can be converted to Thin Walls (see Thin-Wall Boundary
Conditions). See Arbitrary Interface Boundary Conditions for information on other ways for
Boundary Conditions-Thin Walls
The Thin Wall boundary condition is fully supported by the Heat Transfer Module. You may
optionally choose to activate the Thermal Gap Model feature which reduces the heat transfer
across the thin wall. (See Thin-Wall Boundary Conditions for instructions on how to setup a Thin
Wall boundary condition.
There are two Heat Transfer Module related settings available for a thin wall boundary condition;
thickness, and conductivity. Both of these settings can be found under the Heat Transfer (Heat)
tab when the thin wall has been selected.
The thickness and conductivity settings enable you to impose a heat transfer resistance which
causes a temperature jump to be calculated across the thin wall. See Thin-Wall Boundary
Conditions for details on how to set these values.
You may choose to activate the Wall Source feature which adds a heat source to the cells
adjacent to each side of the thin wall boundary condition. The wall source feature is described in
detail in Walls and its application to thin walls is described in Thin-Wall Boundary Conditions.
Boundary Conditions-Cyclic
The Cyclic boundary condition is fully supported by the Heat Transfer Module. See Cyclic
Boundary Conditions for instructions on how to setup a Cyclic boundary condition. There are no
Heat Transfer Module related settings for the Cyclic boundary condition.
Initial Conditions
Click the Initial Conditions [IC] tab to see the Initial Condition Panel. See Control Panel-Initial
solution file. If constant values are specified then you must provide initial values for the Heat
Transfer Module. The only value that needs to be specified is temperature (T).
Although the Initial Condition values do not affect the final solution, you should specify reasonable
values so that the solution does not have convergence problems at start-up.
Solver Control Settings
Spatial Differencing Scheme
Under the Spatial Differencing tab you can select the differencing method to be used for the
convective terms in the equations. Activating the Heat Transfer Module enables you to set
parameters for enthalpy calculations. The default method is first order Upwind. See Control
71
Panel-Spatial Differencing Scheme for details on the different differencing schemes. See
Numerical Methods for numerical details of the differencing schemes.
Solver Selection
Under the Solvers tab, select the linear equation solver to be used for each set of equations.
Activating the Heat Transfer Module enables you to set parameters for enthalpy calculations. The
default linear equation solver is the conjugate gradient squared + preconditioning (CGS+Pre)
solver with 50 sweeps. The default convergence criteria is 0.0001. See Control Panel-Solver
Controls for more information on the different linear equation solvers available. Also see Linear
Equation Solvers for numerical details of the linear equation solvers.
Relaxation Parameters
Under the Relaxation tab, select the amount of under relaxation to be applied for each of the
dependent (solved) and auxiliary variables used for the energy equation. Activating the Heat
Transfer Module enables you to set parameters for the dependent variable enthalpy, as well as
the auxiliary variable, temperature. See Control Panel-Under Relaxation Parameters for details
on setting the under relaxation values. See Numerical Methods-Under Relaxation for numerical
details of how under-relaxation is applied.
The enthalpy equation uses an inertial under relaxation scheme and the default value is 0.2.
Increasing this value applies more under relaxation and therefore adds stability to the solution at
the cost of slower convergence.
The calculations for temperature use a linear under relaxation scheme and the default values are
1.0. Decreasing this value applies more under relaxation and therefore adds stability to the
solution at the cost of slower convergence.
these settings will have to be changed, usually by increasing the amount of under-relaxation that
is applied. If the heat transfer problem is fairly simple, then the inertial factor for enthalpy can
often be reduced to allow faster convergence. There are no general rules for these settings and
only past experience can be a guide.
Variable Limits
The Limits Tab enables you to set minimum and maximum variable values. CFD-ACE+ will
ensure that the value of the variable will always remain within these limits by clamping the value.
Activating the Heat Transfer Module enables you to set limits for enthalpy and temperature
variables. See Control Panel-Variable Limits for details on how limits are applied.
Advanced Settings
In CFD-ACE+, by default, inertial under-relaxation of dependent variables is used to constrain the
change in the variable from one iteration to the next in order to prevent divergence of the solution
procedure.
You can switch the default inertial relaxation method to the CFL based relaxation method by
going to the Solver Control panel's Advanced tab and checking the appropriate check boxes for
each module.
The relaxation factor defined in SC-->Relax is used as the CFL multiplier. A general rule would be
the inverse value of usual inertial relaxation factor.
Effect of Value:
- 5 = Default Value
72
Viscous Dissipation - heating due to viscous work by the fluid, i.e. friction heating.
Output Options
The desired output can be specified under the Out (Output) tab. There are two types of output
available, Printed and Graphical. Printed output will be written to a text file, whether it be the
modelname.out file or another file. Graphical output will be written and stored in the DTF file and
available for further post-processing in CFD-VIEW.
Output
For steady state simulations, there are two options for when results will be written to the DTF file.
The first is End of Simulation. This option will only write results to the DTF file once the
maximum number of iterations has been reached or when the specified convergence criteria is
achieved. The Specified Interval option allows for results to be written at certain intervals during
the solution process. The file will be uniquely named in the following way:
modelname_steady.000025.DTF. A unique file can be created or the results can be written to
the same DTF file, modelname.DTF.
For transient simulations, the results will be written out at the specified time step frequency.
Printed Output
Under the Print tab, select the printed information to be output to the text based output file
(modelname.out). Activating the Heat Transfer Module enables the output of a heat transfer
summary in addition to the general printed output options. See Control Panel-Printed Output for
details on printed output options including boundary condition integral output, diagnostics, and
monitor point output.
Selecting the Heat Flux Summary option provides a Boundary-by-Boundary Heat Transfer
Summary printout of the integrated heat transfer (W (3D), W/m (2D), or W/rad (axisymmetric))
through each of the thermal boundaries (walls, inlets, outlets, interfaces, etc.). The fields include:
- Name - Lists the name of the boundary.
- Key - The key number associated with each boundary.
- Type - Lists the boundary type: walls, inlets, outlets, interfaces, etc.
- COND. +CONV. - Includes any heat source/sink due to conduction and convection.
- W_SRC. +CVD - W_SRC refers to any heat source/sink that is applied on the BC - Heat
tab for a wall boundary condition. The source is applied to the cells directly adjacent to
the wall. CVD refers to any source/sink of heat due to a surface reaction.
- RAD to SYS* - Any heat source/sink due to radiation.
- Sum - Summation of all the heat sources/sinks over all boundaries.
- Total pressure work - This is the rate of work done on the fluid per unit volume by
pressure forces
- Total volume source - This reports the data pertaining to a volume heat source in the
system, if present. Such a heat source can be introduced in the system during problem
set up in CFD-ACE-GUI under VC > VC Setting Mode:Heat.
- Transient term - This term only appears for transient cases. The transient term is the
amount of heat that is entered the system at the current time step, but has not yet left the
system.
For radiation cases, a radiative heat summary is printed in the output file when the Heat Transfer
summary is activated on the Printed Output tab. This summary reports the radiative heat into for
73
all boundaries in the model. If Monte Carlo radiation is used, then the patch type, patch
temperature, and the number of rays absorbed is also reported. The format is:
- Name - Lists the name of the boundary
- Key - The key number associated with each boundary
- Type - Lists the boundary type: walls, inlets, outlets, interfaces, etc.
- EMIT - Amount of heat being emitted from the boundary
- ABSORB - Amount of heat being absorbed by the boundary
- RAD Net - Net radiative heat on the boundary (RAD Net = ABSORB -EMIT)
- RAD to SYS* - Amount of heat contributed to the system
Graphical Output
Under the Graphics tab, you can select which variables to output to the graphics file
(modelname.DTF). These variables will then be available for viewing and analyzing in CFD-
VIEW. Activating the Heat Module enables output of the variables listed in the table:
Heat Transfer Module Graphical Output
Variable Units
Static Temperature K
Total Temperature K
Static Enthalpy J/kg
Specific Heat J/kg-K
Conductivity W/m-K
Wall Heat Flux W/m
2

Heat Residual -
Post Processing
CFD-VIEW can post-process solutions. When the Heat Transfer Module is invoked, the
temperature field is usually of interest. A list of Heat Module post processing variables is shown in
the table below. You can view the temperature field with surface contours and analyze it using
point and line probes.
74
COND Conductivity W/m-K
CONDX
X-direction
Conductivity
W/m-K
CONDY
Y-direction
Conductivity
W/m-K
CONDZ
Z-direction
Conductivity
W/m-K
CP Specific Heat J/kg-K
H0 Total Enthalpy m
2
/s
2

T Temperature K
T_TOT Total Temperature K
Wall_Heat_Cond_Flux Wall Heat Flux W/m
2

Wall_Heat_Rad_Flux Wall Radiative flux W/m
2

The heat transfer summary written to the output file (modelname.out) is often used to determine
quantitative results and judge the convergence of the simulation. Due to the law of conservation
of energy, the summation of all heat transfer into and out of the computational domain should be
zero (unless heat sources or sinks are present). In the simulation a summation of exactly zero is
almost impossible, but you should see a summation that is several orders of magnitude below the
total heat transfer into the system.
Heat Module
What is the Viscous Dissipation option?
Due to shear stresses in a flowing fluid, one layer of a fluid rubs against an adjacent layer of
fluid. This friction between adjacent layers of the fluid produces heat; that is, the mechanical
energy of the fluid is degraded into thermal energy. The resulting volumetric heat source is called
viscous dissipation.
In most flow problems viscous dissipation heating is not important. However, this heating can
produce considerable temperature rises in systems with large viscosity and large velocity
gradients. Examples of situations where viscous heating must be accounted for include: (i) flow of
a lubricant between rapidly moving parts, (ii) flow of highly viscous fluids in high-speed
viscometers, and (iii) flow of air in the boundary layer during rocket reentry problems.
A non-dimensional number called the Brinkman number is a measure of the importance of the
viscous dissipation term. The Brinkman number, Br, is given by the ratio of the viscous heating to
the conductive heating.

where
75
76
v = fluid velocity
= fluid viscosity
k = fluid thermal conductivity
T = fluid temperature
T
0
= reference temperature
Typically, the viscous dissipation must be taken into account if the calculated Brinkman number
has a value greater than 0.1.
In the CFD-ACE-GUI, viscous dissipation is on by default under the SC/Adv/Heat Transfer
section when the Heat module is activated. It can be deactivated if the Brinkman number shows
that viscous heating is negligible for the model of interest.
Examples
The following tutorials use the Heat Transfer Module exclusively:
- Conduction between Concentric Thick-walled Cylinders
The following tutorials use the Heat Transfer Module in conjunction with one or more other
modules:
- Natural Convection between Concentric Thick-walled Cylinders
- Oil Flow through a Compliant Orifice
- Surface Reaction in a 2D Reactor
- Generic Semiconductor Reactor
References
Versteeg HK and Malasekera, W., "An Introduction to Computational Fluid Dynamics." John
Wiley & Sons, Inc. New York, 1995. pp20.

Turbulence Module
Turbulence Module
Introduction
The Turbulence Module enables you to simulate the effects of turbulence. Turbulence may have
strong influence on momentum, heat, and mass transfer. For problems with high values of
Reynolds numbers, you must activate the Turbulence Module and select an appropriate
turbulence model to simulate the effect of turbulence on the mean flow.
There are two main methods for studying turbulent flows: Reynolds Averaged Navier-Stokes
simulations (RANS) and Large Eddy Simulations (LES). CFD-ACE+ offers a wide choice of
RANS and LES turbulence models in the CFD-ACE-SOLVER. In all these models, the effect of
turbulence on transport is accounted for via turbulent or eddy viscosity. The Turbulence Module
includes:
- Turbulence-Applications
- Turbulence-Features
- Turbulence-Theory
- Turbulence-Limitations
- Turbulence-Implementation
- Turbulence-Frequently Asked Questions
- Turbulence-Examples
- Turbulence-References
Turbulence Module
Applications
Turbulent flow is encountered in a large number of practical applications in various industries,
including, but not limited to, turbo machinery, aerodynamic engineering, automotive engineering,
and civil engineering. Any moderate to high Reynolds number flow problem will involve
turbulence.
Turbulence Module
Features
The CFD-ACE-Solver has several built-in turbulence models available. These models are
explained in detail in the Turbulence Theory section.
- Standard k-c Model
- RNG k-c Model
- Kato-Lauder k-c Model
- Low Reynolds Number k-c Model (Chien)
- Two-Layer k-c Model
- k-e Model
- k-e SST Model
77
- Spalart-Allmaras Model
- Large Eddy Simulations - SGS Models
o Smagorinsky Model
o Germano's Dynamic Subgrid Scale Model
o Menon's Localized Dynamic Subgrid Scale Model
- Constant Turbulent Viscosity
- User Defined Turbulent Viscosity
- Turbulence in Porous Media
The Turbulence Module can add surface roughness effects to the turbulence model through the
input of a roughness height. Details of this feature are in Turbulence-Boundary Condition.
Turbulence-Theory
Turbulence Module
Theory-Introduction
For more than a century the preferred approach in the treatment of turbulent flows is to predict
macroscopic statistics using the RANS formalism. Introduced by Reynolds in 1895, it involves a
simple decomposition of the instantaneous fields in mean values and fluctuations via an
averaging operation. The issue of turbulence modeling arises from the need to represent
turbulent or Reynolds stresses, which are additional unknowns introduced by averaging the
Navier-Stokes equations. A common approach adopted by CFD-ACE+ is the Eddy Viscosity
approximation in which the Reynolds stress tensor is assumed to be proportional to the rate of
mean strain, by analogy with the laminar stress-strain relationship. The proportionality parameter
is called the turbulent or eddy viscosity, and is expressed phenomenologically or obtained from
transport equations. Unlike its laminar counter-part, the turbulent viscosity is not a property of the
fluid but rather a characteristic of the flow.
Within the framework of RANS modeling, various models differ in the way the turbulent viscosity
is calculated. These models are typically categorized by the number of additional transport
equations to be solved. Almost all the models in CFD-ACE+ involve solutions of two extra
transport equations. One is for the turbulent kinetic energy, k, and the other is for the rate of
dissipation, c, or the specific rate of dissipation, e.
Based upon the way the near-wall viscous sublayer is handled, these models are further
classified into high-Reynolds-number and low-Reynolds-number models. Here the qualifier
Reynolds-number refers to the local turbulent Reynolds number:

(3-1)
It will be shown that Re
t
is proportional to the ratio of the eddy viscosity to molecular viscosity, v.
High Reynolds models are designed for regions where the eddy viscosity is much larger than the
molecular viscosity and, therefore, cannot be extended into the near-wall sublayers where
viscous effects are dominating. The standard wall-function model is used to bridge the gap
between the high-Re-number regions and the walls or to connect conditions at some distance
from the wall with those at the wall. Low-Reynolds-number models are designed to be used in the
turbulent core regions and the near-wall viscous sublayers.
78
Turbulence Module
CFD-ACE+ contains several different turbulence models. You can choose any one of them to
calculate the turbulent viscosity. Mathematical formulations of all models are described in the
Theory section:
- Theory-Reynolds Averaged Navier-Stokes Simulations
o Standard k-e Model
o RNG k-e Model
o Kato-Launder k-e Model
o Low Reynolds Number k-3 Model (Chien)
o Two-Layer k-e Model
o k-w Model
o k-w SST Model
o Spalart-Allmaras Model
- Theory-Large Eddy Simulations
- Theory-Constant Turbulent Viscosity
- Theory-User Defined Turbulent Viscosity
- Theory-Turbulence in Porous Media
Reynolds Averaged Navier-Stokes Simulations
Turbulence Module
Theory-Standard k-c Model
Several versions of the k-c model are in use in the literature. They all involve solutions of
transport equations for turbulent kinetic energy and its rate of dissipation. The one adopted in
CFD-ACE+ is based on Launder and Spalding (1974). In the model, the turbulent viscosity is
expressed as:

(3-2)
The transport equations for k and c are,

(3-3)

(3-4)
with the production term P defined as:

(3-5)
79
The five constants used in this model are:

The standard k-c model is a high Reynolds model and is not intended to be used in the near-wall
regions where viscous effects dominate the effects of turbulence. Instead, wall functions are used
in cells adjacent to walls.
Adjacent to a wall the non-dimensional wall parallel velocity is obtained from

(3-6)

(3-7)
where:

Here y
v
+
is the viscous sublayer thickness obtained from the intersection of equation 3-6 and
equation 3-7. The production and dissipation terms appearing in the turbulent kinetic energy
transport equation are computed for near wall cells using (Ciofalo and Collins, 1989):

(3-8)

(3-9)
Similarly for heat transfer if we define a non-dimensional temperature,
80
Turbulence Module

(3-10)
then the profiles of temperature near a wall are expressed as (Ciofalo and Collins, 1989):

(3-11)

(3-12)
where P
+
is a function of the laminar and turbulent Prandtl numbers (o and o
t
) given by Launder
and Spaulding (1974) as:

(3-13)
Here y
T
+
is the thermal sublayer thickness obtained from the intersection of equation 3-11 and
equation 3-12. Once T
+
has been obtained, its value can be used to compute the wall heat flux if
the wall temperature is known, or to compute the wall temperature if the wall heat flux is known.
Turbulence Module
Theory-RNG k-c Model
A variation of the k-c model was developed by Yakhot and Orszag (Yakhot and Orszag, 1986)
using a renormalization group (RNG) approach in which the smallest scales of motion are
systematically removed. This model was subsequently modified by Yakhot et. al.
(1992). The model is formulated such that the equations for k and c (equation 3-13 and equation
3-14) have the same form as the standard k-c models. The model coefficients, however, take
different values as:

The coefficient C
c1
becomes a function of q, the ratio of time scales for turbulence and mean
strain rate.

(3-14)

(3-15)
The constants in equation 3-14 have the values q
0
=4.38 and |=0.015. The rate of mean-strain
tensor, S
ij
, is defined as follows:
81

(3-16)
The RNG k-c turbulence model is a high Reynolds number model, so the k and c equations are
not integrated to the wall. Wall functions, described in Standard k-c Model, specify the values of k
and c at boundaries.
Turbulence Module
Theory-Kato-Launder k-c Model
Another extension to the standard k-c model was given by Kato and Launder (1993) in their study
of turbulent flow around bluff bodies. They found it necessary to modify the turbulence production
term to reduce the excessive level of turbulence, given by the standard model, in regions of flow
stagnation. To illustrate the modification, we first recast the standard production term as:

(3-17)
where S
ij
is the strain tensor as defined in equation 3-16 (see RNG k-c Model).
In the Kato-Launder model the production term is modified as:

(3-18)
where O
ij
is the vorticity tensor and is defined as:

(3-19)
The Kato-Launder k-c turbulence model is a high Reynolds number model, so the k and c
equations are not integrated to the wall. Wall functions, as described in the Standard k-c Model
section, are used to specify the values of k and c at boundaries.
Turbulence Module
Theory-Low Reynolds Number k-c Model (Chien)
High Reynolds number k-c models require the use of wall functions. However, the commonly
used wall functions may not be accurate in flows, which include phenomena such as large
separation, suction, blowing, heat transfer, or relaminarization. This difficulty associated with wall
functions can be circumvented by using low-Reynolds number k-c models that permit the
integration of momentum and k-c equations all the way to the wall. Several versions of low-
Reynolds number k-c models have been proposed. The k-c equations are modified to include the
effect of molecular viscosity in the near wall regions. The general form of low-Reynolds number k-
c models is given by the following equations:
82
Turbulence Module

(3-20)

(3-21)

(3-22)
The low Reynolds model of Chien (1982) has been implemented in CFD-ACE+. The model
parameters appearing in the preceding equations are:

(3-23)
Since the wall shear stress is computed from finite differences for this model, the first grid-point
should be placed in the laminar sublayer (y
+
~ 1). Therefore, the Chien model requires the use of
very fine grids near solid boundaries.
Turbulence Module
Theory-Two-Layer k-c Model
The difference between the high and low-Reynolds number models lies in the near-wall
treatment. With wall-function approaches, the high-Reynolds number models are,
computationally, more robust and cost-effective. However, such near-wall treatment only provides
fair predictions of skin friction when the flow runs primarily parallel to the wall and when the
adjacent-to-wall grid cell center lies above the viscous layer, say, y
+
> 11.5. In the presence of
complex geometry and flow conditions, wall-functions lose a considerable amount of accuracy.
On the other hand, low-Reynolds number models may yield more accurate results but require
extensive grid refinement near the wall and are thus more expensive to use.
As a comprise, the concept of two-layer modeling is introduced (Chen & Patel, 1988) in which the
near-wall sublayer is divided into two layers. We use the standard k-c model in the outer layer
where turbulent effect dominates. In the inner layer where viscous effect prevails, we use a one-
equation model where the c-equation is replaced by an algebraic relation. With the two-layer
model, turbulent viscosity is calculated as:
83

(3-24)
The damping function f
is defined as:

(3-25)
and the length scales are defined as:

(3-26)

(3-27)
where the local turbulent Reynolds number is defined as:

The model constants are a = 50.5, b = 5.3, C
l
= kC
-3/4
and the interface location is at f
= 1, below
which the rate of dissipation is calculated as:

(3-28)
Turbulence Module
Theory-k-e Model
The k-e turbulence model is a two-equation model that solves for the transport of e, the specific
dissipation rate of the turbulent kinetic energy, instead of c. The k-e model in CFD-ACE+ is based
on Wilcox (1991). The eddy viscosity in this model is:

(3-29)
where:

(3-30)
The transport equations for k and e are:
84
Turbulence Module

(3-31)

(3-32)
The model parameters in the above equations are all assigned constant values:

(3-33)
The boundary conditions for k and e at wall boundaries are:
k = 0 at y = 0,
(3-34)

(3-35)
where y
1
is the normal distance from the cell center to the wall for the cell adjacent to the wall.
The location of the cell center should be well within the laminar sublayer for best results (y
+
~ 1).
This model, therefore, requires very fine grids near solid boundaries.
Turbulence Module
Theory-k-e SST Model
Menter transformed the standard k-c model into the k-e form, and developed a blending function
that is equal to one in the inner region and goes gradually towards zero near the edge of the
boundary layer(Menter, 1994). In the inner region the original k-e model is solved, and in the
outer region a gradual switch to the standard k-c model is performed. The idea behind the SST
model is to introduce an upper limit for the principal turbulent shear-stress in the boundary layers
in order to avoid excessive shear-stress levels typically predicted with Boussinesq eddy-viscosity
models.
The SST model performs like k-e model, but less sensitive to the free-stream values, .

85

where is the rotation and curvature sensitization function.
The model constant are evaluated from:

k = 0.41, and can be calculated from:

the last term in e equation is the cross-diffusion term, which makes the model insensitive to the
free-stream e. The blending function, , is given by:

and

stands for the positive portion of the cross-diffusion

is obtained from the maximum value of cross-diffusion term multiplied by a factor of
.
86
Turbulence Module
is defined as
where = 0.31, is a scalar measure of the vorticity tensor which is defined by:

This is the SST limitation for . The purpose of function is to prevent the activation of the
SST limitation in the free shear flows. It is given by

The function is designed to prevent the SST limitation from being activated in the roughness
layer in rough-wall flows, and it is given by [Antti, 1997]

d is the distance to the nearest surface point.
Turbulence Module
Theory-Spalart-Allmaras Model
The Spalart-Allmaras model is a one-equation model that solves a transport equation for the
kinematic eddy viscosity (1992). This model has been specifically designed for aerospace
applications. CFD-ACE+ uses a wall function approach and solves the following transport
equation for the eddy viscosity:

(3-36)
where:
87

The transport equation is solved using the following model constants:

Turbulence Module
Theory - V2F Model
In the model, the standard equations are employed:

(1)

(2)
with the wall condition:

(3)
The rate of turbulence kinetic energy production is defined as:
88
Turbulence Module

(4)
The model is supplemented with two additional equations, the first for a velocity scale :

(5)
where the factor is obtained from:

(6)
A pseudo-time derivative is used for solving the equation in order for the transport equations to
have the same structure as the other model equations. The time scale and length scale are
given by:

(7)
In the model which yields the wall conditions

(8)
The eddy viscosity is computed from:

(9)
The model constants appearing above are:

(10)

Turbulence Module
Theory - Modified V2F Model
A modified version of the model was also applied to prediction of the flow over the ramp.
The modified form is that in which a simple modification is used to enhance the numerical
robustness of the overall approach. In codes with explicit and/or uncoupled advance (i.e. for
which the model equations are advanced following the momentum equations) a numerical
instability can occur due to the term in the denominator of the model equation where
. To alleviate this problem, a modification is made by setting and in this way it is
89
possible to apply the condition as the wall boundary condition. The other constants
which change are and with the remaining constants having the same values
outlined before. For all the models the derivatives of , , , and with respect to the
streamwise coordinate are set to zero at the outflow boundary. At each iteration the transport
equation for , , , and are solved using successive over-relaxation until the maximum
residuals reduce to machine zero.
Large Eddy Simulations
Turbulence Module
Theory-Large Eddy Simulations Introduction
Large Eddy Simulations (LES) are considered somewhere between the model-free Direct
Numerical Simulations (DNS) and RANS with respect to both physical resolution and
computational costs. LES partly inherits the robustness and universality of DNS, allowing
accurate prediction of the coherent structures in turbulent flows. The cost for LES is lower than for
DNS because the resolution requirements for LES are of the same order as those for RANS. In
most turbulent flows of practical interest the motion on the order of the dissipation scale cannot
be evaluated explicitly due to limitations on the available computational resources required to
resolve the physics of the flow. To overcome this limitation, the governing equations have to be
altered in such a way that the activity at the level of unresolved scales is mimicked by a proper
model, and only the large-scale fluctuations are explicitly taken into account.
In LES, a smoothing (low pass) filter of constant kernel width achieves separation of scales,
decomposing a given field into a resolved component and a residual component (also called sub-
grid fluctuations).
Operationally, the filtering is described by the convolution:
(3-37)
where represents the filtered value of the field variable f, G denotes the filter, which is a
symmetric function with compact support and Af is the filter width (assumed constant in the
standard LES formulation). In variable density flows, it is best to use Favr (density weighted)
filtering. Applying the filtering operation, the Navier-Stokes equations for the evolution of the
large-scale motions are obtained. The filtered equations contain unknown terms such as
(velocity-velocity correlation) arising from the filtering of nonlinear terms and are
known as subgrid scale (SGS) stresses.
Turbulence Module
Theory-Large Eddy Simulations-SGS Models Introduction
The most popular model for engineering applications is arguably the Smagorinsky model (1963),
where the eddy viscosity is proportional to the square of the grid spacing and the local strain rate.
The constant of the model follows from an isotropy-of-the-small-scales assumption. The standard
Smagorinsky model gives interesting results in free-shear flows, but fails in the presence of the
boundaries and is proverbial nowadays for its excessive dissipation. Attempts to determine the
model constant in a flow dependent fashion, have produced several generations of the dynamic
model since the paper of Germano, (1992). Using a double filtering technique, the constant
arising in the Smagorinsky model is computed as a function of space and time.
Turbulence Module
Theory-Large Eddy Simulations-SGS Models-Smagorinsky Model
90
Turbulence Module
Based on the original SGS model proposed by Smagorinsky (1963), the SGS eddy viscosity is
computed based on the grid spacing and local strain rate:

(3-38)
where A is the filter (grid) width. The constant (C
s
= 0.05-0.2) of the model follows from the
isotropy-of-the-small-scales assumption.
Turbulence Module
Theory-Large Eddy Simulations-SGS Models-Germano's Dynamic Subgrid-Scale
Model
The Smagorinsky model constant is dynamically determined local flow conditions (Lilly et al.
1992). The grid-filtered Navier-Stokes equations are filtered again using a test filter larger than
the grid size and eddy viscosity is computed as:

(3-39)
where A is the filter width and L
ij
and M
ij
are related to sub-grid and sub-test filter scale stresses
(Galperin & Orzag 1993). In addition to the strain invariant, the dynamic model requires the
computation of filtered velocities, Reynolds stresses, and strain components and consumes more
computational resources.
Turbulence Module
Theory-Large Eddy Simulations-SGS Models-Menon's Localized Dynamic Subgrid-
Scale Model (LDKM)
The LDKM model uses scale-similarity and the subgrid-scale kinetic energy:

(3-40)
to model the unresolved scales. Using k
sgs
the SGS stress tensor is modelled as:

(3-41)
with the resolved-scale strain tensor defined as:

(3-42)
In the modelling of the SGS stresses, implicitly the eddy viscosity is parameterized as:
91
.
(3-43)
The subgrid-scale kinetic energy is obtained by solving the transport equation:
.
(3-44)
which is closed by providing a model for the SGS dissipation rate term, c
sgs
based on simple
scaling arguments:

(3-45)
In these models, C
t
and C
c
are adjustable coefficients determined dynamically using the
information from a resolved test-scale field. The test-scale field is constructed from the large
scale field by applying a test filter which is characterized by , the test filter width. In this
project, with arbitrary grids, we are using a test filter consisting of a weighted average of the cells
sharing a node with the current cell. This average is biased towards the current cell, with a weight
equal to the number of vertices of the cell. The cells that share a face with a current cell have a
weight of two.
The application of the test filter on any variable is denoted by the top hat. By definition, the
Leonard stress tensor at test-scale level is:
.
(3-46)
The Leonard stress tensor and the SGS tensor are known to have high degrees of correlation,
which justifies the use of similarity in the derivation of the dynamic model coefficients. The
resolved kinetic energy at the test filter level is defined from the trace of the Leonard stress
tensor:
.
(3-47)
This test scale kinetic energy is dissipated at small scales by:
.
(3-48)
Based on a similarity assumption and using appropriately defined parameters, the Leonard stress
tensor has a representation analogous to the SGS stress tensor:
92
Turbulence Module
.
(3-49)
The least square method is applied to obtain the model constant:
.
(3-50)
where:
.
(3-51)
Finally, a corresponding approach is used to determine the dissipation rate constant. By invoking
similarity between the dissipation rates at the subgrid level and at the test scale level C
c
is
determined to be:
.
(3-52)
The coefficients of the LDKM model are Galilean invariable and realizable. This model is also
quite simple and efficient, does not rely on ad hoc procedures, and is applicable to various flow
fields without adjustment of the model.
Transition Models
Turbulence Theory
Transition Models Introduction
This model is based on two transport equations: an intermittency equation used to trigger the
transition process, and an equation for transition momentum thickness Reynolds number used as
the local onset parameter. The strength of this model is to mimic the quality of correlations based
model but put in the framework of local (single point) approach so that it is realizable within a
modern, multi-domain CFD framework.
A disputable drawback of this model is the added computational requirements, since it solves two
additional transport equations. The additional CPU requirement, however, can be reduced by
solving only the intermittency equation using a user specified value of the transition onset
Reynolds number ( is treated as a constant).
Turbulence Theory
Transport Equation for Intermittency
The intermittency equation is formulated as follows:

(1)
93
The source terms are defined as

(2)

(3)
where is the strain rate magnitude. , which serves to trigger the intermittency production,
is formulated as a function of the vorticity Reynolds number,

(4)

(5)

(6)

(7)

(8)

(9)
where the critical Reynolds number where the intermittency first starts to increase in the boundary
layer, in equation 5, is related to the transition momentum thickness Reynolds number
according to

(10)
with function in such a way that occurs upstream of . The function in equation 2 is
an empirical correlation that controls the length of the transition region.
The destruction terms are defined as
94
Turbulence Module

(11)

(12)
where is the vorticity magnitude. These terms ensure that the intermittency remains zero in
the laminar boundary layer (it is one in the freestream) and also enables the model to predict re-
laminarisation. The function is designed to disable the destruction terms outside of a laminar
boundary layer or viscous sublayer, and is defined as

(13)
The model constants for the intermittency equation are

(14)

(15)

(16)
The boundary condition for at a wall is zero normal flux while at inlet is equal to 1. For accurate
transition the grid must satisfy . If is too large (5), the transition onset location moves
upstream with increasing . The recommended advection scheme is second order upwind or
central scheme, and the wall normal grid expansion ratio is about 1.1. The correlation functions
and at present are proprietary to CFX. The following correlations have been
proposed to replace the proprietary versions,

(17)

(18)

Turbulence Theory
Transport Equation for Transition Momentum Thickness Reynolds Number
The The transport equation for the transition momentum thickness Reynolds number is
defined as follows:
95

(1)
The source term is designed to force the scalar to match the local value of
calculated from an empirical correlation outside the boundary layer

(2)

(3)
with being a time scale for dimensional reason. The blending function is used to turn off the
source term in the boundary layer. It is thus equal to zero in the freestream and one in the
boundary layer

(4)
with

(5)
The model constants for the onset Reynolds number equation are

(6)
The boundary condition for at a wall is zero flux, while at an inlet should be calculated from
the empirical correlation based on the inlet turbulence intensity.
Turbulence Theory
Correction for Separation Induced Transition
With the formulation up to this point, the reattachment downstream of laminar separation occurs
much later than should be. To correct this deficiency, the local intermittency is allowed to exceed
1 whenever laminar separation occurs. This results in a large production of which expedites
reattachment. The correction for the intermittency function is as follows
96
Turbulence Module

(1)

(2)

(3)

(4)

Turbulence Theory
Coupling with Turbulence Model
Although in principle the intermittency function obtained from the model can be applied
to any RANS models based on the Boussinesq approximation, the transition model has been
calibrated for use with the SST model of Menter. The coupling is as follows

(1)

(2)
where

(3)

(4)
with and the production and destruction terms from the original SST turbulence model and
obtained from above. The blending function , responsible for switching between the
and models is modified as follows
97

(5)

(6)

(7)
The modified blending function is used when the transition model is activated.

Transition Models-Empirical Correlations
Transition Models
Empirical Correlations Introduction
The quantity in equation 2 of the Transport Equation for Transition Momentum Thickness
Reynolds Number chapter has been determined from a correlation , where
is the local turbulence intensity and is the acceleration as a measure of the pressure
gradient. Two alternatives of such correlation are available: Abu-Ghannam and Shaw correlation
and Menter correlation.
Turbulence Theory
Abu-Ghannam and Shaw Correlation
The empirical correlation of Abu-Ghannam and Shaw is defined as follows::

(1)

(2)

(3)
where

(4)
98
Turbulence Module

Turbulence Theory
Menter Correlation
The empirical correlation of Menter is defined as follows:

(1)

(2)

(3)
where-

(4)

(5)

(6)

(7)

(8)

99

(9)

(10)
For numerical robustness the acceleration parameter and the empirical correlation should be
limited as follows:

(11)

(12)

(13)

Turbulence Module
Constant Turbulent Viscosity
You can specify a constant value for the turbulent viscosity. This method is made available in
CFD-ACE+ only for simplicity. It is not recommended for most practical applications.
Turbulence Module
User Defined Turbulent Viscosity
CFD-ACE+ enables you to define your own method of calculating turbulent viscosity. User-
calculated values of turbulent viscosity are integrated into the solver through the user-subroutine
UVISC. The user defined turbulent viscosity option is only implemented for the k-c mode and it
only sets the turbulent viscosity. When using this option, you do not have to choose the UVISC
option under the VC tab.
Turbulence Module
Turbulence in Porous Media
Turbulence modeling in porous media is relevant to the calculations of heat and mass transfer,
and to the calculation of flow in continuum regions bounding the porous media. Appropriate
modifications to the turbulence transport equations for the porous region are unlikely to be
available. For k-c turbulence models, CFD-ACE+ provides the following simple algebraic
functions to estimate the turbulent kinetic energy and turbulent dissipation rate:
(3-53)
and
100
Turbulence Module
(3-54)
Here is local superficial velocity magnitude; o is empirical constant of 0.1; I and L are user-
supplied average turbulence intensity and length scale in porous regions, respectively. The
typical value for I might be 0.01~0.04. L is usually set to be the hydraulic diameter of the porous
passage.
Turbulence Module
Wall Functions
There are three options for wall functions in turbulence module in V2007:
- standard wall function (default)
- two-layer model
- non-equilibrium model
Non-Equilibrium Model (Pressure gradient sensitize velocity log-law)
This is a two-layer wall function approach, where each wall cell is divided into two layers (see
Figure 1)
- viscosity dominated sublayer where the shear stress, t, is only due to laminar viscosity
- fully-turbulent core region where Reynolds stress solely contribute to total shear
These two layers are assumed to be sharply demarcated at y
v
, a dimensional thickness of the
viscous sublayer. It is also assumed that thin-layer assumptions are largely applicable (e.g.
, etc., where x, y, u, and v are local coordinates and mean velocity components in the
tangential and normal directions.) The key elements in the non-equilibrium wall functions are:
- the Launder and Spaldings log-law for mean velocity is sensitized to pressure gradient
effects
- the two-layer-based concept is adopted to compute the budget of turbulence kinetic
energy in the wall neighboring cells
With these assumptions, in the viscous sublayer is given by

(1-1)
In the turbulent core region, employing Boussinesqs eddy viscosity hypothesis gives:

(1-2)
The shear stress profile in the inner layer can be obtained by integrating the momentum equation
in the tangential direction with respect to y:
(1-3)
101
It is a fair approximation that, in the viscous sublayer, the contribution from inertia is negligible.
Then we can write for the viscous sublayer:

(1-4)

Figure 1. The two-layer concept
In the fully-turbulent core, the acceleration effect can not be neglected, and experimental
evidence indicates that the shear stress is nearly linear in the turbulent core region. Ensuring the
shear stress is continuous at y = y
v
yields a linear profile:

(1-5)
In viscous sublayer:

(1-6)
In the turbulent core region:
(1-7)
where
t
is given by

(1-8)
The log-law for mean velocity sensitized to pressure gradients is
(1-9)
where
(1-10)
and y
v
is the physical viscous sublayer thickness, which is computed from
102
Turbulence Module

(1-11)
Two Layer Model
The two-layer approach is used to specify both and the turbulent viscosity in the near wall cells.
In this approach, the whole domain subdivided into a viscosity-affected region and a fully-
turbulent region. These two regions are determined by the local turbulence Reynolds number,
Re
y
, which is defined as

(1-12)
where y is the normal distance from the wall from the cell centers. In the fully turbulent region
(Re
y
> Re
*
y
, Re
*
y
= 200), the k-c based turbulence model are solved. In the viscosity-affected
near-wall region (Re
y
Re
*
y
), the one-equation model of Wolfstein [000] is employed. In this
model, the turbulent viscosity,
t
, is computed from

(1-13)
where l
is the length scale and is computed from

(1-14)
The final effective turbulence viscosity is calculated as

(1-15)
The blending factor is defined as

(1-16)
The constant A determines the width of the bending function. By defining a width such that the
value of will be within 1% of its far-field value given a variation of ARe
y
(by default, 10% of Re
*
y
),
the result is:

(1-17)
The c is computed from

(1-18)
and the length scales l
t
is computed from Chen and Patel [000]

(1-19)
103
There constants in the length scale formulas are taken from [000]
(1-20)

Turbulence Module
Limitations
All the turbulence models in CFD-ACE+ assume isotropy of turbulent transport. The validity of
this assumption is questionable for flows with strong streamline curvature, swirling flows, re-
circulation and impingement.
Turbulence-Implementation
Turbulence Module
Implementation Introduction
The Implementation section describes how to setup a model for simulation using the Turbulence
Module. The Implementation section includes:
- Grid Generation - Describes the types of grids that are allowed and general gridding
guidelines
- Model Setup and Solution - Describes the Turbulence Module related inputs to the CFD-
ACE-Solver
Turbulence Module
Implementation-Grid Generation
The Turbulence Module can be applied to any geometric system (3D, 2D planar, or 2D
axisymmetric). Furthermore all grid cell types are supported (quad, tri, hex, tet, prism, poly).
Generally, the grid needs to be clustered near the walls. The dimensionless distance of the
adjacent-to-wall cells, y
+
value, is a good indication of how fine the grid is near the wall. When
choosing any one of the low-Reynolds number models, including the k-e model, the y
+
value
should be below 1.0. When wall functions are used, the y
+
value need to be greater than 11.5 for
the cell to lie above the viscous sublayer. The recommended y
+
range for the high Reynolds
number turbulence models is between 30 and 150.
There is no way to estimate the y
+
values before running the solution so it is recommended to
work from past experience. Graphical output of the y
+
values is available for all of the wall
boundaries and should be checked to make sure that the y
+
values are within acceptable limits. If
the calculated y
+
is too large, then the grid will need to be refined in those regions.
Grid Parameter R
For Large Eddy Simulations (LES), the grid parameter R is used to measure the resolution of the
grid based on length and time scales for turbulent flows (Avva and Sandaram, 1998). For LES,
the grid size should lie in the inertial range of scales, beyond the energetic but larger than the
dissipation scales. To obtain a suitable grid, first perform a steady RANS simulation using a
suitable k-c turbulence model and output the R grid parameter:
104
Turbulence Module

where:
l
e
= the energetic scales (k
2/3
/ c)
l
d
= the dissipation scales (v
3
/ c)
1/4

An R value less than zero implies that the resolved scale is larger than the local, energy
containing scales, and R>1 implies that the resolved scales are smaller than the active viscous
dissipation scales. Therefore, an R grid parameter between 0 and 1 is needed to perform a
satisfactory LES calculation.
Model Setup and Solution
Turbulence Module
Implementation-Model Setup and Solution-Introduction
CFD-ACE+ provides the inputs required for the Turbulence Module. This section describes the
settings specific to the Flow Module. See CFD-ACE+ Overview for general model settings and
basic operation. The Implementation section includes:
- Problem Type
- Model Options
- Volume Conditions
- Boundary Conditions
- Initial Conditions
- Solver Control
- Output
Turbulence Module
Implementation-Model Setup and Solution-Problem Type
Type for details.
Select Turbulence to activate the Turbulence Module and the Flow Module. The Turbulence
Module can work in conjunction with any of the other flow related Modules (e.g., Mixing,
Cavitation, etc.).
Model Options
Turbulence Module
Implementation-Model Setup and Solution-Model Options-Introduction
Click the Model Options [MO] tab to see the Model Options Panel. See Control Panel-Model
Options for details. All of the model options for the Turbulence Module are located under the
Turbulence tab. Along with specifying the turbulence model, the method for calculating the Wall
Functions must also be specified.
105

Model Options Panel - Turbulence Tab

Turbulence Module
Implementation-Model Setup and Solution-Model Options-Turbulence Model
Select a turbulence model from the pull-down menu. The options are described in the
Turbulence-Theory section and include:
- Standard k-c Model
- RNG k-c Model
- Kato-Lauder k-c Model
- Low Reynolds Number k-c Model (Chien)
- Two-Layer k-c Model
- k-e Model
- k-e SST Model
- Spalart-Allmaras Model
- Large Eddy Simulations - SGS Models
o Smagorinsky Model
o Germano's Dynamic Subgrid Scale Model
o Menon's Localized Dynamic Subgrid Scale Model
- Constant Turbulent Viscosity
- User Defined Turbulent Viscosity
- Turbulence in Porous Media
Turbulence Module
Implementation-Model Setup and Solution-Model Options-Subgrid Scale (SGS) Models
CFD-ACE+ provides three Subgrid Scale (SGS) models for LES: Smagorinsky, Localized
Dynamic, and Dynamic (see SGS Models). To activate a model, select one from the SGS Model
pull down menu.
106
Turbulence Module

Turbulence Tab - Large Eddy Simulation - SGS Model
The Smagorinsky SGS model requires two additional parameters: the model constant Cs0, and
the Vandriest Damping. The default for these constants are reasonable values for typical LES
applications.
In order to activate one of the subgrid scale models (LES), the time dependence should be set to
Transient on the MO > Shared tab.
Turbulence Module
Implementation-Model Setup and Solution-Model Options-Turbulent Prandtl Number
If you activate the Heat Transfer Module, you can specify a turbulent Prandtl number. This
models the effect of turbulence on heat transfer through an effective conductivity:

(3-55)
Experiments have generally shown the value of o
t
to range from about 1.0 near walls to values of
0.7 or less as the distance from walls increases. The default value of 0.9 is a reasonable
compromise between these bounds.
Turbulence Module
Implementation-Model Setup and Solution-Model Options-Turbulent Schmidt Number
When you activate the Chemistry Module, you can specify a turbulent Schmidt number. This
models the effect of turbulence on mass diffusion through an effective diffusivity:

(3-56)
Turbulence Module
Implementation-Model Setup and Solution-Volume Conditions
No volume condition inputs are required for the Turbulence Module.
Boundary Conditions
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Introduction
107
Panel-Boundary Condition Type for details. To assign boundary conditions and activate additional
The Turbulence Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface
boundary conditions. See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions or
Arbitrary Interface Boundary Conditions for details.
All of the general boundary conditions for the Turbulence Module are located under the
Turbulence tab and can be reached when the boundary condition setting mode is set to General.
Each boundary condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). The Turbulence
Module Boundary Condition section includes:
- Boundary Conditions-Inlets
- Boundary Conditions-Outlets
- Boundary Conditions-Turbulent Kinetic Energy
- Boundary Conditions-Random Inlets
- Boundary Conditions-Walls
- Boundary Conditions-Rotating Walls
- Boundary Conditions-Symmetry
- Boundary Conditions-Interfaces
- Boundary Conditions-Thin Walls
- Boundary Conditions-Cyclic
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Inlets
The Turbulence Module needs to know how to set the turbulence quantities at inlet boundaries.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Outlets
You can set values for turbulent kinetic energy (K) and turbulence dissipation rate (D) at flow
outlets. These values will only be used where there is inflow through the outlet boundary). The
turbulence quantities that need to be specified for the turbulence models are:
Turbulence Quantity Model
Turbulent Kinetic Energy (K) k-c or k-e Models
Turbulent Dissipation Rate (D) k-c or k-e Models
Eddy Viscosity (Nu(t)) Spalart-Allmaras Model
SGS Turbulent Kinetic Energy (Ksgs) localized dynamic SGS
Turbulent Kinetic Energy
108
Turbulence Module
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Turbulent Kinetic Energy
Turbulent kinetic energy can be specified as:
- Constant
- Turbulence intensity (0~1)
- Profile X (input (x, k) data pairs)
- Profile Y (input (y, k) data pairs)
- Profile Z (input (z, k) data pairs)
- Profile 2D (input (x, y, z, k) data sets)
- Profile in time (input (t, k) data pairs)
- Profile from file (see user manual A-4 Profile BC file)
- Parametric (define a function from parametric input panel)
- User subroutine (see User Manual Chap. 11 for details)
Turbulent dissipation rate/Specific dissipation rate can be specified as:
- Constant
- Length scale
- Profile X (input (x, D) data pairs)
- Profile Y (input (y, D) data pairs)
- Profile Z (input (z, D) data pairs)
- Profile 2D (input (x, y, z, D) data sets)
- Profile in time (input (t, D) data pairs)
- Profile from file (see user manual A-4 Profile BC file)
- Parametric (define a function from parametric input panel)
- Hydraulic diameter
- User subroutine (see User Manual Chap. 11 for details)
Eddy viscosity can be specified as:
- Constant
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Turbulence Quantities Using Turbulence Intensity
The turbulence intensity, I, is defined as the ratio of the root-mean-square of the fluctuation
velocity, , to the mean flow velocity,

The turbulence intensity generally ranges from 1% to 10%. That with turbulence intensity less
than 1% is considered as low turbulent flow and that with turbulence intensities greater than 10%
are considered as high turbulent flows.
The turbulence intensity at the core of a fully developed duct flow can be estimated as:
109

where is the Reynolds number.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Estimating Turbulent Kinetic Energy from Turbulence
Intensity
For boundaries and volumes (initialization) with turbulence intensity as the input option, the
turbulent kinetic energy can be estimated from:

Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Turbulence Length, Scale, and Hydraulic Diameter
The turbulence length scale, , is a physical quantity related to the size of the large eddies that
contain the energy in turbulent flows.
In fully developed pipe or duct flow, is restricted by the size of the duct. A relationship between
and the hydraulic diameter L is:
= 0.03L
Guidelines for choosing hydraulic diameter L or turbulence scale :
(1) For fully developed internal flows, choose hydraulic diameter method and input the
characteristic length of the flow in/outs as hydraulic diameter.
(2) For wall-bounded flows in which the inlets involve boundary layer, choose turbulence length
scale. Set =0.4 , is the thickness of boundary layer.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Turbulent Dissipation Rate
For boundaries and volumes (initialization) with turbulence length scale or hydraulic diameter as
input option, the dissipation rate, c (or the specific rate of dissipation, e) can be calculated as:
k-c model
k-e model
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Random Inlets
Under the BC/Turb Tab, select the Random Inlet check box to specify a Gaussian or time
correlated randomization of the inlet velocity components.
110
Turbulence Module

Boundary Condition - Turbulence Tab - Gaussian Random Option
Both the Gaussian and time correlated options randomly perturb the mean inlet velocity
components over the surface of the inlet boundary using a Gaussian profile of the root mean
squared (RMS) turbulent intensities at each time step. The time correlated option further specifies
that the perturbation is correlated over a length of time.
Turbulence Module
Walls
Wall-Roughness boundary condition has been implemented in the ACE+ code. The new feature
allows one to account for sand-grain roughness when the standard wall-function approximation is
used.
Formulation
111
Roughness will increase the drag over that on a hydraulically smooth surface. This increase is
reflected in the downward shift of the velocity profile presented in coordinates, as is
demonstrated in Schlichting's Boundary Layer Theory. Therefore, the logarithmic law for velocity
distribution

(1)
which forms the basis of the Wall-Function approach is no longer valid in the presence of
roughness. However, presented in , rather than , the log-law is still valid in form for
complete sand roughness,

(2)
here is the roughness height and is an empirical constant of 30.0. The above equation has
been widely used as the basis for roughness wall-function.
In order to generalize our standard wall-function approach in ACE+, equation 2 has been recast
into the following form:

(3)
Clearly, when the roughness equation reverts to the one for a smooth
surface (equation 1). At this level of , the size of the roughness is so small that all protrusions
are contained within the laminar sub-layer. The surface is regarded as hydraulically smooth. (In
fact, Nikuradse's experiments show that when is less than 5, roughened pipes have the same
resistance as smooth pipe.) In implementing equation 3 in the ACE+ code, the effect of
roughness comes into play by setting the coefficient to in the existing wall-function
method. In so doing, is evaluated through equation 2, and it is set to once it falls below
this value for reasons discussed above.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Rotating Walls
Rotating walls, just like plain walls, can have a roughness height (RH) value assigned.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Symmetry
The symmetry boundary condition is a zero-gradient condition. There are no Turbulence Module
related values for symmetry boundary conditions.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Interfaces
112
Turbulence Module
The interface boundary condition is used to allow two computational domains to communicate
information. There are no Turbulence Module related values for interface boundary conditions.
Interface boundary conditions can be converted to thin walls. See Thin-Wall Boundary Conditions
and Arbitrary Interface Boundary Conditions for details on other ways for computational domains
to communicate.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Thin Walls
The Thin Wall boundary condition is fully supported by the Turbulence Module. See Thin-Wall
Boundary Conditions for instructions on how to setup a thin wall boundary condition. The
Turbulence Module treats a thin wall boundary condition the same as a Wall boundary condition.
See Boundary Conditions-Walls.
Under the Turbulence tab, there are inputs available for roughness height specification. This
roughness height will be applied to both sides of the thin wall boundary condition.
Turbulence Module
Implementation-Model Setup and Solution-Boundary Conditions-Cyclic
The Cyclic boundary condition is fully supported by the Turbulence Module. See Cyclic Boundary
Conditions for instructions on how to setup a Cyclic boundary condition. There are no Turbulence
Module related settings for the Cyclic boundary condition.
Turbulence Module
Implementation-Model Setup and Solution-Initial Conditions
solution file. If constant values are specified, you must provide initial turbulence values. The
values can be found under the Turbulence (Turb) tab and the following variables must be set:
- Turbulent Kinetic Energy (K)
- Turbulent Dissipation Rate (D)
- Eddy Viscosity (Nu(t)) for the Spalart Allmaras Model
- RMS u', v', w' turbulent intensities for random initial conditions and LES
If a previous solution is used for restart and a random perturbation is desired, select the restart
from RANS checkbox. This will use the kinetic energy from the RANS calculation to perturb the
velocity field.
Although, for a steady state problem, the Initial Condition values do not affect the final solution,
reasonable values should be specified so that the solution does not have convergence problems
at start-up.
Because the turbulence values produce an effective viscosity, and increased viscosity can make
the solution more stable, sometimes it is useful to set somewhat larger values of K (or smaller
values of D) to increase the initial effective viscosity field.
Model Setup and Solution-Solver Control
Turbulence Module
Implementation-Model Setup and Solution-Solver Control-Introduction
113
Click the Solver Control [SC] tab to see the Solver Control Panel. See Control Panel-Solver
Controls for details.
The Solver Control page allows access to the various settings that control the numerical aspects
of the CFD-ACE-Solver as well as all of the output options. The Solver Control section includes
- Solver Control-Output for LES
- Solver Control-Spatial Differencing Scheme
- Solver Control-Solver Selection
- Solver Control-Under Relaxation Parameters
- Solver Control-Variable Limits
- Solver Control-Advanced Settings
Turbulence Module
Implementation-Model Setup and Solution-Solver Control-Output for LES
Running Averages of the flowfield variables can be computed by setting the Start Timestep in the
Large Eddy Simulation (Averaging) output panel.
The Save LES Statistics option saves the running average variables for restart purposes. Only
the variables that are checked for Graphical Output will be saved. For continuation of the
averaging process from restart data the corresponding option must be checked under the
Previous solution menu from IC Sources.
Turbulence Module
Implementation-Model Setup and Solution-Solver Control-Spatial Differencing Scheme
Under the Spatial Differencing tab, select the differencing method to be used for the convective
terms in the equations. Activating the Turbulence Module enables you to set turbulence
equations. The default method is first order Upwind. We recommend to always use the first order
Upwind method for the turbulence equations as the higher order schemes can produce
convergence problems and do not increase the solution accuracy significantly. See Spatial
Differencing Scheme for more information on the different differencing schemes available. See
Numerical Methods-Central Differencing Schemes for numerical details of the differencing
schemes.
Turbulence Module
Implementation-Model Setup and Solution-Solver Control-Solver Selection
Activating the Turbulence Module enables you to set turbulence equations. The default linear
equation solver is the conjugate gradient squared + preconditioning (CGS+Pre) solver with 50
sweeps. The default convergence criteria is 0.0001. See Solver Selection for more information on
the different linear equation solvers available. See Linear Equation Solvers for numerical details
of the linear equation solvers.
Turbulence Module
Under Relaxation Parameters
Under the Relaxation tab, select the amount of under-relaxation to be applied for each of the
dependent (solved) and auxiliary variables used for the flow equations. Activating the Turbulence
Module enables you to set turbulence variables, as well as the auxiliary variable, viscosity. See
Under Relaxation Parameters for details on the mechanics of setting the under relaxation values.
114
Turbulence Module
See Numerical Methods-Under Relaxation for numerical details of how under-relaxation is
applied.
The turbulence equations use an inertial under relaxation scheme and the default values are 0.2.
Increasing this value applies more under relaxation and therefore adds stability to the solution at
The calculation of viscosity uses a linear under relaxation scheme and the default values are 1.0.
Decreasing this value applies more under relaxation and therefore adds stability to the solution at
Turbulence Startup Control
Turbulent flow simulations can sometimes exhibit diverging behavior at the beginning of a
calculation. The Turbulent Start Control feature provides a method of constraining the change of
turbulent viscosity at the start of a simulation with the aim of eliminating the divergence. Inputs for
the control appear when the check box is selected and are shown below

Turbulence Start Control Inputs
The initial turbulent viscosity that will be used will be calculated from the Viscosity Ratio input and
will be equal to the Viscosity ratio times the molecular viscosity. This is contrasted to the normal
calculation of the initial turbulent viscosity from the initial values of the turbulence quantities. The
default value of 1000 will usually have a reasonably stabilizing effect on the calculations.
The Initial Iterations input is the number of iterations after startup for which the viscosity will be
held constant at the initial value.
The Transition Iterations input is the number of iterations over which to linearly transition from an
unchanging turbulent viscosity field (linear under-relaxation of 0.0) to a viscosity field under-
relaxed at the previously specified value of linear under-relaxation.
Turbulence Module
Implementation-Model Setup and Solution-Solver Control-Variable Limits
Under the Limits tab, set the minimum and maximum allowed variable values. CFD-ACE+ will
ensure that the value of any given variable will always remain within these limits by clamping the
value. Activating the Turbulence Module enables you to set limits for K, D, and Viscosity
variables. See Variable Limits for details on how limits are applied.
The default limits should be used. For the Turbulence Module however, it has been found that
applying a maximum limit on viscosity can sometimes help to get through some convergence
problems. Ensure that you check the solution to verify that the final solution is not constrained by
the imposed limit (which could produce un-physical results).
Turbulence Module
Implementation-Model Setup and Solution-Solver Control-Advanced Settings
115
In CFD-ACE+, by default, inertial under-relaxation of dependent variables is used to constrain the
change in the variable from one iteration to the next in order to prevent divergence of the solution
procedure.
going to SC-->Adv and checking the appropriate check boxes for each module.
The relaxation factor defined in SC-->Relax is used as the CFL multiplier. A general rule of thumb
would be the inverse value of usual inertial relaxation factor.
Effect of Value:
- 5 = Default Value
Model Setup and Solution-Output
Turbulence Module
Implementation-Model Setup and Solution-Output-Introduction
Click the Out tab to see the Output settings in the Control Panel. The output section includes:
- Output-Printed Output
- Output-Graphical Output
- Output-LES Output
Turbulence Module
Implementation-Model Setup and Solution-Output-Printed Output
There are no printed output summaries available for the Turbulence Module.
Turbulence Module
Implementation-Model Setup and Solution-Output-Graphical Output
Under the Graphics tab, you can select the variables to output to the graphics file
(modelname.DTF). These variables will then be available for visualization and analysis in CFD-
VIEW. Activation of the Turbulence Module allows output of the variables listed:
Turbulence Module Related Graphical Output
Variable Units
Turbulent Kinetic Energy m
2
/s
2

Turbulent Dissipation Rate m
2
/s
3

Turbulent Viscosity kg/m-s
116
Turbulence Module
Eddy Viscosity m
2
/s
Effective Viscosity (sum of turbulent
and laminar viscosity)
kg/m-s
Y+ (only output at walls) -
Turbulence Module
Implementation-Model Setup and Solution-Output-LES Output
The output variables available for LES are listed in the table.
LES Module Graphical Output
Variable Units Model*
Turbulent Intensities m/s S,D,LD
Y+ - S,D,LD
Eddy Viscosity m
2
/s S,D,LD
Strain Invariant 1/s S,D,LD
Vorticity 1/s S,D,LD
Dynamic Coefficient - D
Ctau - LD
Ceps - LD
SGS Kinetic Energy m
2
/s
2
LD
SGS Dissipation Rate m2/s3 LD
Test Filter Kinetic Energy m
2
/s
2
LD
117

m/s S,D,LD
*
S - Smagorinsky
D - Dynamic
LD - Localized Dynamic
Turbulence Module
Implementation-Post Processing
CFD-VIEW can post-process the turbulence solutions. Two important quantities that need to be
looked at in the graphical output are the level of turbulent kinetic energy (or turbulent viscosity)
and y
+
. Turbulence levels are high in regions where the rate of strain is high, such as near-wall
regions and regions of flow re-circulation and stagnation. The values of y
+
at the walls is good
indication of the level of grid refinement near the wall. A complete list of post processing variables
available as a result of using the Turbulence Module is shown in the table below.
D
Dissipation Rate(ke model)
Specific rate of dissipation (ke model)
m
2
/s
3

s-1
K Kinetic energy m
2
/s
2

ED_VIS Eddy Viscosity (Spalart-Allmaras model) m
2
/s
VIS_T Turbulent Viscosity kg/m-s
YPLUS Yplus values -
Turbulence Module
Which turbulence model should I choose?
This really depends upon your need. If you just want to consider the overall effect of turbulence
on the mean flow field, rather than some fine details, you may choose one of the high Reynolds
number models that are more robust and cost-effective. In this case, the standard k-c model can
be chosen for most problems. However, when there is strong flow recirculation the RNG model is
a better choice; and for cases with strong flow stagnation the Kato-Launder model becomes a
better choice. On the other hand, If your are interested in fine details such as heat transfer
coefficients or viscous wall friction, you should choose one of the low Reynolds number
turbulence models.
How do I specify initial turbulent quantities?
For steady-state simulations, the initial conditions will not affect the final solutions. But they may
affect numerical stability. It has been found that a low level of turbulence intensity helps
convergence. Generally, you may set turbulent kinetic energy, k, to be one percent of the initial or
inlet mean kinetic energy. Then you may specify a value for c with which the calculated turbulent
118
Turbulence Module
viscosity is about 20 times the laminar viscosity. For transient calculations, since the initial
conditions will affect the final results, ideally you should specify values for turbulence quantities
based on experimental data whenever they are available. If they are not available, you may follow
the above suggestions for steady-state simulations.
How do I specify turbulence quantities at inlet boundaries?
For simulations or regions where convective transport is considerably greater than turbulence
production (usually occur in the absence of strong mean flow velocity gradients) it is the inlet
conditions of turbulent quantities that determine the overall level of turbulent viscosity. Again, you
may follow instructions as given for the initial conditions.
How do I specify turbulent quantities at outlet boundaries?
When flow goes out at the outlet, zero-gradient boundary conditions are used for the turbulence
quantities. Only when flow comes back into the computational domain are the boundary values of
turbulence quantities used. Specification of boundary values may also follow the above
suggestions for the inlet BCs.
Turbulence Module
Examples
The following tutorials use the Turbulence and Flow Modules exclusively:
- Tutorial 2, Turbulent Flow Past a Backward Facing Step in Tutorial Manual, Volume II.
The following tutorials use the Turbulence and Flow Modules in conjunction with one or more
other Modules:
- Tutorial 7, Turbulent Mixing of Propane and Air in Tutorial Manual, Volume II, (with and
without reactions).
Turbulence Module
References
Avva, R.K., and Sundaram, S., Numerical Simulation of Surface Pressure Fluctuations in
Complex Geometries." CFDRC SBIR Phase II Final Report, Navy Contract N000114-98-
CO416, CFDRC Report No. 480316, 1995.
Chen, H. C., and V. C. Patel., Near-Wall Turbulence Models for Complex Flows Including
Separation." AIAA Journal 26.6 (1988): 41-648.
Chien K.Y., "Prediction of Channel and Boundary-Layer Flows with a Low Reynolds Number
Turbulence Model." AIAA Journal 20.1(1982): 33-38.
Ciofalo, M., and Collins, M.W., k-c Predictions of Heat Transfer in Turbulent Recirculating Flows
Using an Improved Wall Treatment. Numer. Heat Transfer 15(1989): 21-47.
Germano, M., (1992), "Turbulence: The Filtering Approach." J. Fluid Mechanics 238, pp. 325-336.
Givi, P., (1989), "Model Free Simulations of Turbulent Reactive Flows." Prog. Energy Combust.
Sci., 15, pp. 1-107.
Hellsten, A., Extension of the k-e-SST turbulence model for flows over rough surface. AIAA-97-
3577.
Kim, W., and Menon, S., (1997), "Application of the Localized Dynamic Subgrid Scale Model to
Turbulent Wall-Bounded Flows." AIAA paper 97-0210.
Launder, B.E., and Spaulding, D.B., The Numerical Computation of Turbulent Flows. Comp.
Methods for Appl. Mech. Eng. 3(1974): 269-289.
119
120
Lilly, D.K., (1992), "A Proposed Modification of the Germano Subgrid Scale Closure Method."
Phys.Fluids 4, pp. 633-634.
Menter., F.R., Zonal two equation k-e turbulence models for aerodynamic flows." AIAA-93-2906.
Smagorinsky, J., (1963), "General Circulation Experiments with the Primitive Equations, I. The
Basic Experiment." Monthly Weather Review 91, pp. 99-96.
Spalart, P.R., and Allmaras, S.R., A One-Equation Model for Aerodynamic Flows. AIAA Journal
92:439.
Wilcox, David C., Turbulence Modeling for CFD. La Canada, California: DCW Industries, 1993.
Yakhot, V., Orszag, S.A., Thangam, S., Speziale, C.G., Gatski, T.B., Development of
Turbulence Models for Shear Flows by a Double Expansion Technique. Phys. Fluids A 4.7
(1992): 1510-1520.
Yakhot, V., and Orszag, S.A., Renormalization Group Analysis of Turbulence. J. Sci. Compute.
1.1(1986) 3-51.

Chemistry Module
Chemistry Module
Introduction
The Chemistry Module enables you to solve mixing and reacting flow problems. Activating the
Chemistry Module implies the solution of the mixture or species mass fractions, (the latter
requiring solution of additional mass transport equations). If you activate liquid chemistry, instead
of solving transport equations for mass fractions, transport equations for molar concentration are
solved. You can use the Chemistry module to study systems where both surface and gas-phase
reactions occur. Reactions involving charged species (encountered in plasma reactors) can also
be studied. You can also use it to study electrochemistry problems such as fuel cells of those
involving charged particle species transport in the liquid phase. (See Applications:
Electrochemistry for details.) The Chemistry Module includes:
- Chemistry-Applications
- Chemistry-Features
- Chemistry-Theory
- Chemistry-Turbulence-Combustion Interaction
- Chemistry-Limitations
- Chemistry-Implementation
- Chemistry-Frequently Asked Questions
- Chemistry-Examples
- Chemistry-References
Chemistry-Applications
Chemistry Module
Applications-Introduction
Mixing and reacting flows are encountered in a wide variety of applications such as combustors,
chemical and plasma reactors, and gas-turbines. A detailed model of the velocity and
temperature field and species concentrations can greatly aid the design, optimization, and control
of these systems. You can use the Chemistry Module:
- To study processes such as deposition and etching that are vital in semiconductor
processing applications.
- For mixing-only cases and gas-phase and/or surface reactions prescribed within the
volumes and/or at surfaces.
- With other CFD-ACE+ modules to study multi-physics problems.
The Chemistry Applications section includes:
- Applications-Mixing Only
- Applications-Mixing with Gas Phase Reactions
- Applications-Mixing with Surface Reactions
- Applications-Multi-Physics Applications
121
Chemistry Module
Applications-Mixing Only
The Chemistry Module simulates mixing two or more inert species or mixtures. The spatial and
temporal variation of the species concentrations can be obtained using the Chemistry Module.
Chemistry Module
Applications-Mixing with Gas Phase Reactions
You can use the Chemistry Module to study systems involving chemical reactions. Two examples
are combustion problems and semiconductor process chamber simulations. A transport equation
is solved for each mixture or species with a source term representing the net rate of production or
depletion of the mixture or species. The reactions can take the form of instantaneous, equilibrium,
or finite-rate mechanisms. For combustion problems, several reduced mechanisms are available.
For combustion problems several reduced mechanisms are available. See the Database
Manager.
Chemistry Module
Applications-Mixing with Surface Reactions
Use the Chemistry Module to model surface reactions occurring in chemical vapor deposition
(CVD) systems.
Chemistry Module
Applications-Multi-Physics Applications
The Chemistry Module is often used with (and is required by) many of the other modules in CFD-
ACE+ to perform multi-physics analyses. Some of the more commonly added modules are listed
below. Examples of these types of applications are given in each Modules chapter.
- Flow
- Turbulence
- Heat Transfer (with or without radiation)
- User Defined Scalars
- Spray
- Plasma
- VOF
- Electric
Chemistry-Features
Chemistry Module
Features Introduction
The Chemistry Module has many inherent features which may or may not be activated for any
given simulation. The Features section includes:
- Features-Solution Approach
- Features-Mass Diffusion Options
- Features-Gas Phase Reactions
- Features-Surface Reactions
- Features-Coupled Solver
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Chemistry Module
- Features-Unsteady Combustion
Chemistry Module
Features-Solution Approach
The Chemistry module has two solution approach options: Mixture Mass Fractions and Species
Mass Fractions. Each approach has its advantages and disadvantages and they are briefly
described below.
Mixture Mass Fractions
The Mixture Mass Fraction approach requires a solution of fewer transport equations than the
Species Mass Fraction option. However, some models and fluid property options are not
available for the Mixture Mass Fraction approach. The Mixture Mass Fraction approach is usually
used for pure mixing problems and combustion reaction problems involving reactions which are
either in equilibrium, very fast (instantaneous), or can be modeled with a single global finite-rate
reaction step. Diffusivity of individual species is not accounted for with this option since all
mixtures are considered to have the same valve. The mixture mass fraction approach can be
used to model turbulence/chemistry interaction through either eddy-breakup or assumed pdf
methods. Models for CO oxidation and NOx production are also available.
Species Mass Fractions
The Species Mass Fraction approach is the most general approach and encompasses all
problems that can be solved using the Mixture Fraction approach except for models that include
turbulence/chemistry interaction. The Species Mass Fraction approach requires the solution of a
transport equation for every species in the system. This approach is required for:
- Multi-component diffusion problems
- Surface reaction problems
- A multi-step finite rate gas-phase reaction
Chemistry Module
Features-Mass Diffusion Options
There are two options available for mass diffusion: constant Schmidt number and multi-
component diffusion. The multi-component diffusion model is only available when the Species
Mass Fraction solution approach has been selected.
Species Conservation Options: When species diffuse at different rates, their mass fractions do
not automatically add up to unity, and some corrections have to be invoked to guarantee species
conservation. The following options are available:
- None: no corrections are invoked, and species mass fractions may not add up to unity.
This option is equivalent to not invoking conservation at all.
- Reference Specie: If mass fractions do not add up to unity, the mass fraction of the
reference species is adjusted to enforce conservation.
- Stefan-Maxwell: Species conservation is enforced by employing the Stefan-Maxwell
equations. This is the most rigorous of all the approaches, but is computationally more
expensive.
Features-Gas Phase Reactions
Chemistry Module
Features-Gas Phase Reactions-Introduction
The Chemistry Module contains the following gas phase reaction models:
- Instantaneous Reaction Model (for Mixture Mass Fraction approach)
123
- Equilibrium Reaction Model (for Mixture Mass Fraction approach)
- Finite-Rate Model (for Mixture Mass Fraction approach)
- Finite-Rate Model (for Species Mass Fraction approach)
- Eddy Breakup Model
- Prescribed PDF Model
All of these gas phase reaction mechanisms are setup using the Reaction Manager. See the
Database Manager for details.
Chemistry Module
Features-Gas Phase Reactions-Instantaneous Reaction Model
The Instantaneous Reaction Model assumes that a single chemical reaction occurs and that it
proceeds instantaneously to completion. You can only use this model if the Mixture Mass Fraction
solution approach has been selected. The mixture fraction assumed PDF model may be used
with an instantaneous reaction.
Chemistry Module
Features-Gas Phase Reactions-Equilibrium Reaction Model
The Equilibrium Reaction Model (Pratt and Wormeck, 1976) assumes that chemical reactions are
so fast that the mixture is in chemical equilibrium. The main difference between this model and
the instantaneous model is that the user does not have to specify a stoichiometrically balanced
reaction. The composition (stoichiometry) is determined by minimizing the Gibbs energy of the
system. You can only use this model if the Mixture Mass Fraction solution approach has been
selected.
Chemistry Module
Features-Gas Phase Reactions-Finite-Rate Model (for Mixture Solution)
The Finite-Rate Model (for mixture mass fraction approach) enables you to specify a single
reaction step which proceeds at a finite-rate. This model is restricted to two reactant species. The
primary difference between this finite-rate model and the instantaneous model is that the mass
fraction of fuel is calculated by solution of a transport equation with a source term due to chemical
reaction for the finite-rate model. The mass fractions of the other species are calculated from the
mixture fractions and the mass fraction of fuel. This model can only be used if the Mixture Mass
Fraction solution approach has been selected. Turbulence/chemistry interaction can be
accounted for using either the eddy breakup or assumed PDF models discussed below.
If a multi-step reaction is desired then the Species Mass Fraction approach must be used and
hence the Finite-Rate Model for Species Solution is appropriate.
Chemistry Module
Features-Gas Phase Reactions-Finite-Rate Model (for Species Solution)
The Finite-Rate Model (for Species Mass Fraction approach) enables you to specify any number
of reaction steps which each proceed at a finite-rate. This model does not have any restrictions
on the number of reactant species and third-body effects can also be included. For plasma
reactions, an electron-induced reactions can be specified. This model can only be used if the
Species Mass Fraction solution approach has been selected.
Two options are available to specify the type of finite rate reactions. If the Mass Fraction option is
selected, the law of mass action is used to compute the reaction rates. The backward rate (if
specified) is calculated by assuming equilibrium. The reactant and product exponents are equal
to their stoichiometric coefficients. If you select the General Rate option, the law of mass action is
not used, and the reactant and product exponents can be arbitrary. If you specify backward
124
Chemistry Module
reaction, the backward reaction rate can be computed using prescribed values, or by using
equilibrium.
Chemistry Module
Features-Gas Phase Reactions-Eddy Breakup Model
You can use the eddy breakup model for turbulence-combustion interaction for turbulent flows,
with any of the k-c turbulence models, and with the mass fraction finite-rate reaction model. This
model limits the reaction rate where turbulent mixing controls the mixing of segregated reactant
species or of premixed reactants and hot products.
Chemistry Module
Features-Gas Phase Reactions-Prescribed PDF Model
The equations solved by CFD-ACE+ for turbulent reacting flows are transport equations for
density-weighted mean values. However, auxiliary variables such as density and temperature are
really nonlinear functions of the composition. These variables can be calculated more accurately
by integrating the product of the variable of interest and the density-weighted joint composition
probability density function (PDF) over the range of composition values. The source terms for
finite-rate reactions are highly nonlinear and should be calculated similarly. The shape of a PDF
for the mixture fraction can be prescribed (assumed) in CFD-ACE+ to model turbulent
combustion when separate fuel and air (oxidizer) mixtures are defined.
Chemistry Module
Features-Surface Reactions
The surface reaction models allow the calculation of deposition, etching, or catalytic reactions at
surfaces and hence can model systems where these processes are of importance.
All surface reactions can be specified using a multi-step finite-rate reaction mechanism. The
reaction rates of individual steps can be computed either by using the sticking coefficient model,
or by using a general finite-rate expression. In CFD-ACE+, steps involving these two approaches
can be mixed. Reaction mechanisms involving surface-adsorbed species and site coverages can
be modeled using this feature. For problems involving plasma (i.e., when the plasma module is
turned on), it is also possible to model neutralization of charged species on the walls, in
conjunction with regular neutral species reactions.
All of the surface reaction mechanisms are setup using the Surface Reaction Manager. See
Database Manager-Surface Reaction for details.
Chemistry Module
Features-Coupled Solver
In multi-step finite rate reactions, it is possible that one of the reaction steps proceeds at a rate
that is orders of magnitude higher than the other reactions. The numerical solution of the system
of equations describing the time-evolution of the various species is fraught with difficulties. A
system of differential equations with widely varying time constants is called stiff. The Chemistry
module can handle both stiff and non-stiff systems. Select the Coupled Solver option if the
reaction set under consideration has some fast transients.
When the Coupled Solver is turned on, the transport equations for all the species are solved in a
coupled manner, rather than in a segregated manner. The convergence is generally slower but
more stable. It is suitable for all types of chemistry, not just surface chemistry. There is no
relaxation associated with the coupled solver.
Chemistry Module
Features-Unsteady Combustion
For unsteady reactive flow simulations a few methodologies specific to combustion problems are
available to either accelerate the calculations or to increase the accuracy level of the results. In
125
the case of complex reaction mechanisms the Laminar Chemistry Operator Splitting option allows
for the usage of the In Situ Adaptive Tabulation (ISAT) method and/or the Staggered Chemistry
solution approach to considerably expedite the numerical simulation.
For Large Eddy Simulation, an accurate subgrid chemistry closure (the Linear Eddy Model) is
available along with the ISAT and Staggered Chemistry options.
Chemistry-Theory
Chemistry Module
Theory Introduction
The Chemistry Module enables you to model mixing and reacting flow systems. The Chemistry
Module Theory section includes:
- Theory-Basic Definitions And Relations
- Theory-Gas Phase Reaction Models
- Theory-Surface Reaction Models
Chemistry-Theory-Definitions And Relations
Chemistry Module
Theory-Definitions and Relations-Introduction
Calculation of reactive flow requires the consideration of both stoichiometry and reaction kinetics.
Stoichiometry is the description of the conservation of mass and elements. Reaction kinetics is
the description of the individual steps that make up a chemically reacting system and the
specification of the rates at which those steps progress.
A distinction will be made between elementary and global reactions. A global reaction is one such
as:
CH
4
+ 2 O
2
C CO
2
+ 2 H
2
O (4-1)
which is correct in the stoichiometric sense, because all elements are conserved. This global step
does not describe the true path of methane combustion, which is made up of many elementary
reaction steps:
CH
4
+ H CH
3
+ H
2
(4-2)
Elementary reactions describe the intermediate steps in a chemical reaction, which are
representative of actual collisions between molecules.
The Definitions and Relations section includes:
- Theory-Definitions and Relations-Composition Variables
- Theory-Definitions and Relations-Chemical Rate Expressions
- Theory-Definitions and Relations-Mixture Fractions
Chemistry Module
Theory-Definitions and Relations-Composition Variables
Several different composition variables are used for flow with mixing or reaction. The mass
fraction of species i in a multi-component system, Y
i
, is defined as the mass of the i
th
species per
unit mass of the mixture. Similarly, the mole fraction x
i
is defined as the number of moles of the i
th

species per mole of the mixture. The mole and mass fractions are related to each other by the
molecular weight of the i
th
species, M
i
, and the mixture molecular weight, M.
126
Chemistry Module

(4-3)
The mixture molecular weight is given by:

(4-4)
The molar concentration of species i, c
i
, is defined as the number of moles of the i
th
species per
unit volume. It is related to Y
i
as:

(4-5)
where , the mixture density, is computed from the equation of state.
The number density (#/m
-3
) of a species i, is obtained by multiplying the molar concentration with
Avogadros number (6.023x10
23
1/mol). The number of moles of species i per unit mass, n
i
, is
defined as:

(4-6)
and is a useful quantity in converting concentration units, as can be seen by examining equations
4-3 through 4-5. The partial pressure of species i in a mixture of gases is defined as:

(4-7)
Chemistry Module
Theory-Definitions and Relations-Chemical Rate Expressions
A system of N
rxn
chemical reactions involving N
sp
species can be expressed in a general notation
by:

(4-8)
where A
i
is the chemical symbol for species i, v'
ij
and v''
ij
are the forward and reverse
stoichiometric coefficients for the i
th
species in the j
th
reaction. Equation 4-8 can be written more
compactly as:
127

(4-9)

where v
ij
= v''
i
-v'
ij
. The chemical reaction must be balanced (i.e., the total number of atoms of
each element must be the same on both sides of equation 4-8). The stoichiometric coefficients
are integers for elementary reactions and are normally 0, 1, or 2. Elementary reactions usually
involve no more than four species, so the array of stoichiometric coefficients is sparse.
The nomenclature given above is illustrated in the following example. A system containing the
species H
2
, H
2
O, CO, CO
2
, O
2
, and N
2
may have the following reactions:
CO + H
2
O = CO
2
+ H
2

2 H
2
+ O
2
= 2 H
2
O
For this system the stoichiometric coefficients for the above reactions are:

The molar production rate of species i due to chemical reaction is

(4-10)
The rate-of-progress variable for the j
th
reaction, q
j
, can be generally expressed as:

(4-11)
128
Chemistry Module
where:

and

are temperature-dependent forward
and reverse rate coefficients

and

are constants
For elementary reactions which obey the mass action law:

=

and

=

,
where:

and

are the stoichiometric coefficients defined in equation
4-8.
The concentration exponents in equation 4-11 are not necessarily related to the stoichiometric
coefficients for global reactions.
The rate coefficients are assumed to have an Arrhenius form:

(4-12)
where:
A = pre-exponential constant
n = temperature exponent
E
a
/R = activation temperature
m = exponent on pressure dependency
where A, n and E
a
/R are constants for each reaction. (The subscript j has been deleted for
clarity.) The units of the reaction rate given by equation 4-11 are (moles/volume/time). The units
of A, therefore, depend on the exponents of the molar concentrations in equation 4-11. Note that
units for concentration reported in the literature are typically g-moles/cm
3
, while the units used in
CFD-ACE+ are kg-moles/m
3
. In other words, for a simple reaction of the form:

(4-13)
the rate of the reaction is expressed as:

(4-14)
129
where:

is expressed in
kmoles/m
3
s
The units on A
p
are dependent upon o, |, and n as shown below:
units of
A
p

=

(4-15)
The reverse rate coefficient can be obtained from the equilibrium constant, K
c
, for reactions
obeying the law of mass action:

(4-16)
The equilibrium constant (actually a function of temperature) can be calculated from
thermodynamic data:

(4-17)
where:
p
0
= reference pressure of one atmosphere

=
Gibbs free energy of species i at one
atmosphere.
Elementary reactions are sometimes written with a third body, usually designated with the symbol
M, and can be any species. For example:
H + O
2
+ M = HO
2
+ M
The rate-of-progress variable for these reactions is:

(4-18)
\where:
130
Chemistry Module

= Third body efficiency

= Order for third-body
Chemistry Module
Theory-Definitions and Relations-Mixture Fractions
Flows with mixing or reaction can be calculated by solving transport equations for the mass
fraction of all (or all but one) species. The number of variables needed to calculate the flow can
be reduced, in certain cases, by introducing variables referred to as mixture fractions. A mixture is
defined as a combination of species with a fixed composition. For example, a mixture designated
air may have a composition of 23.2% O
2
and 76.8% N
2
by mass whereas a mixture designated
fuel may have a composition of 100% CH
4
.
Each mixture in CFD-ACE+ is tracked with a mixture fraction variable, which is governed by the
general transport equation

(4-19)
In the preceding equation f
k
represents the mixture fraction for the k
th
mixture. Note that this
equation contains no source terms due to chemical reaction. The only source term is due to the
evaporation of spray droplets. The diffusion coefficient (I) is the same for all mixture fractions.
Mixture fractions are normally associated with one or more inlet boundaries and normalized such
that the value is 1 for the boundaries associated with that mixture and 0 for other boundaries. A
mixture fraction is also associated with the evaporating spray droplets. With this convention, the
sum of mixture fractions over all defined mixtures is unity. Since the mixture fractions sum to
unity, K - 1 mixture fraction equations will have to be solved when K mixtures are defined.
Equation 4-19 is linear in f
k
and, therefore, also applies to linear combinations of the mixture
fractions. The overall continuity equation is recovered by summing equation 4-19 over all
mixtures. Let
ik
denote the mass fraction of the i
th
species in the k
th
mixture. It is easily shown
that when equation 4-19 is multiplied by
ik
for each mixture fraction and summed over all mixture
fractions, the following equation is obtained.

(4-20)
where:

(4-21)
This is the transport equation for the mass fraction of a non-reacting species, showing that
composition can be calculated from the mixture fractions using equation 4-21 when the diffusion
coefficients of all species are equal. The boundary conditions for the mixture fractions are defined
131
such that the boundary conditions for the mass fractions are satisfied by equation 4-21 as well.
The effect of mass diffusivity differences among different species is negligible in most turbulent
flows at moderate to high Reynolds numbers (convection-driven flows). The use of mixture
fractions normally reduces the number of variables to be solved because the number of mixtures
is usually less than the number of species.
Mixture fractions are also used with certain reaction models to calculate the composition of
reacting flows.
Chemistry-Theory-Gas Phase Reaction Models
Chemistry Module
Theory-Gas Phase Reaction Models-Introduction
The following gas phase reaction models are available:
- Instantaneous Chemistry Model (for Mixture Mass Fraction approach)
- Equilibrium Model (for Mixture Mass Fraction approach)
- Finite-Rate Model (for Mixture Mass Fraction approach)
- Finite-Rate Model (for Species Mass Fraction approach)
Chemistry Module
Theory-Gas Phase Reaction Models-Instantaneous Chemistry Model
In the instantaneous chemistry model, the reactants (species on the left-hand side of equation 4-
8) are assumed to react completely upon contact. The reaction rate is infinitely rapid and the
reactants cannot exist at the same location. The following discussion will be limited to the case of
two reactants, which are commonly referred to as fuel and oxidizer, and one reaction step. A
surface (flame sheet) separates the two reactants. The rate of reaction is controlled by the rate at
which reactants are transported to this surface.
The mass fractions of all species are only functions of the mixture fractions. The mass fractions
for the instantaneous chemistry model are calculated by first using equation 4-21 to calculate the
composition that would occur without the reaction. The unreacted composition, denoted by the
superscript u, is given by

(4-22)
The change in composition due to the instantaneous reaction is then added to the unreacted
mass fractions, as described below. This approach is valid when the mass diffusivities of all
species are equal.
A stoichiometrically correct reaction step needs to be specified. Consider a single reaction
between A
1
(fuel) and A
2
(oxidizer) to produce an arbitrary number of product species.

(4-23)
132
Chemistry Module
Since only one reaction is being considered, the subscript referring to the reaction step has been
omitted. The reaction is a global step, so the stoichiometric coefficients do not have to be
integers. For example,
C
3
H
8
+ 4.9 O
2
= 2.9 CO
2
+ 0.1 CO + 3.9 H
2
O + 0.1 H
2

The mass of species i produced per mass of fuel consumed by the reaction is:

(4-24)
The stoichiometric coefficients in equation 4-24 are for the overall reaction and, therefore, positive
for product species and negative for fuel and oxidizer. Positive values of r
i
indicate production and
negative values indicate consumption. The instantaneous reaction consumes either all the fuel or
all the oxidizer, whichever is limiting. The amount of fuel that is consumed is:

(4-25)
The change in each species due to the reaction is proportional to the change in fuel, with the
proportionality constant given by equation 4-24. The mass fraction of each species is then given
by:

(4-26)
The right-hand side of equation 4-26 is only a function of the kth mixture fractions. k-1 transport
equations must be solved for the mixture fractions. These equations have no source terms due to
chemical reactions.
Chemistry Module
Theory-Gas Phase Reaction Models-Equilibrium Model
In the equilibrium chemistry model, as in the instantaneous reaction model, the composition is
determined from the solution of transport equations for mixture fraction variables. This model
assumes chemical reactions are so fast that the mixture is in chemical equilibrium. The main
difference between this model and the instantaneous model is that the user does not have to
specify a stoichiometrically balanced reaction step. The composition is determined by minimizing
the Gibbs energy of the system.
Chemical equilibrium is reached at constant temperature and pressure when the Gibbs energy is
minimized. The Gibbs energy per unit mass of a system with N species is:

(4-27)
where:
133
i
=
the chemical potential of species i (or the particle molar
Gibbs energy)

= the standard state chemical potential
p
0
= is a reference pressure of 1 atmosphere.
Since the chemical potential is a function of temperature and pressure, the Gibbs energy is
minimized at constant T and P for the right combination of n
i
. Elements must be conserved by the
change in composition, which adds additional constraints to the system:

(4-28)
where:
a
ij
= the number of atoms of element j in species i
M = the total number of elements in the system
b
j
= total number of moles of element j per unit mass
The composition that minimizes the Gibbs energy while satisfying the element balances is
obtained by introducing the function:

(4-29)
The quantities
j
are termed Lagrangian multipliers. Since equation 4-28 must be satisfied to
conserve elements, the second term on the right-hand side vanishes and the composition that
minimizes + also minimizes G. Differentiating equation 4-29 with respect to n
i
gives:

(4-30)
Differentiating equation 4-29 with respect to
i
gives:

(4-31)
Setting equations 4-30 and 4-31 equal to zero gives N + M equations to be solved to give the
composition at chemical equilibrium. With some algebraic rearrangement, this yields the
following:
134
Chemistry Module

(4-32)

(4-33)
Equation 4-32 is simplified as shown below:

(4-34)
Substituting equation 4-34 into equation 4-33 yield the following:

(4-35)
Thus we have M nonlinear algebraic equations for the unknown values of Z
j
. The values of b
j
are
calculated from the mixture fractions using equation 4-21, giving:

(4-36)
An iterative Newton method is used to solve the system of equations for fixed values of pressure
and temperature. The values of c
j
are calculated from equation 4-34. An updated temperature is
calculated from static enthalpy and the new values of c
j
. New values of R
j
, which depend on
temperature, are calculated on each iteration. The iteration process continues until convergence
is achieved.
Chemistry Module
Theory-Gas Phase Reaction Models-Finite-Rate Model (for Mixture Solution)
135
In the finite-rate chemistry model, as the name implies, a single reaction proceeds at a finite rate.
The reaction stoichiometry is specified in the same manner as in the instantaneous chemistry
model (equation 4-23). The model is restricted to two reactant species. In addition to the
stoichiometry, a rate expression must be specified. The primary difference between the finite-rate
and instantaneous models is that the mass fraction of fuel is calculated by solution of a transport
equation with a source term due to chemical reaction for the finite-rate model. The mass fractions
of the other species are calculated from the mixture fractions and the mass fraction of fuel.
The molar production rate of species i due to the single-step reaction is:

(4-37)
An Arrhenius form (equation 4-12) is used for the reaction rate coefficient. The reaction is
irreversible (i.e., the reverse rate coefficient is zero). As this is a global model, the concentration
exponents do not have to be the same as the stoichiometric coefficients.
The transport equation for the mass fraction of fuel, Y
i
, is

(4-38)
Transport equations are solved for K - 1 mixture fractions and the mass fraction of fuel. The mass
fractions of the other species are calculated by first calculating the composition of the unreacted
mixture and then adding the change in composition due to the reaction.

(4-39)
where AY
1
=( Y
1
)
u
- Y
1
and r
i
is given by equation 4-24. The only difference between equation 4-
39 for the finite-rate chemistry model and equation 4-26 for the instantaneous chemistry model is
that the mass fraction of fuel is calculated from a transport equation in the finite-rate model.
Transport equations for mass fractions of species other than fuel are not solved, but can be
derived from the transport equations for the fuel mass fraction and the mixture fractions.
Chemistry Module
Theory-Gas Phase Reaction Models-Finite-Rate Model (for Species Solution)
This finite-rate model allows for specification of single or multiple reaction steps (see equation 4-
8) to model the process. This multi-step mechanism can be generally represented as:

(4-40)
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Chemistry Module
The multi-step reaction model does not use the concept of mixture fractions that are used in the
other chemistry models. Transport equations are solved for the mass fraction of N
sp
species. The
transport equation for species i is:

(4-41)
The diffusive flux of species i, J
ij
, includes ordinary diffusion driven by concentration gradients
and, optionally, thermal diffusion driven by temperature gradients. The mass diffusivities of
individual species do not have to be equal with this chemistry model. The production rate of
species i,e
i
, is given by equation 4-10.
The source term is linearized to improve convergence.

(4-42)
where the indices n and n+1 denote the iteration at which the corresponding quantity is
evaluated. There are two methods available for the solution of equation 4-41. The first uses the
full Jacobian array in equation 4-42 and couples the solution of all mass fractions in a point-
iterative equation solver. The second method only uses the diagonal elements of the Jacobian
array and solves each mass fraction equation sequentially with a whole field equation solver.
This chemistry model cannot be used with liquid spray because the mass source terms due to
evaporation are not included in the transport equations.
Chemistry Module
Theory-Surface Reaction Models
The surface reaction models allow the calculation of deposition, etching, or catalytic reaction at
surfaces. The surface reaction provides a boundary condition for the mass fractions of species in
the fluid, rather than a source term in the transport equations. The general form of the surface
reaction considered in CFD-ACE+ is:

(4-
43)
here:
a
ij
= gas species stoichiometric coefficient
137
b
ij
=
adsorbed species stoichiometric
coefficient
c
ij
= bulk species stoichiometric coefficient
N
g
= total number of gas-phase species
N
s
= total number of adsorbed species
N
b
=
total number of bulk (deposited)
species
For this reaction, the surface reaction rate may be expressed as:

(4-
44)
where:
k
fj
= forward rates
k
rj
= reverse rates
As seen from the above expression, the surface reaction rate is assumed to be independent of
the concentration of the bulk species.
The gas-phase concentrations at the surface are expressed as:

(4-45)
and the surface concentrations are expressed as:

(4-46)
where:

= gas -phase mass density in kg/m
3

= surface site density in kmol/m
2

138
Chemistry Module

=
gas-phase mass fractions adjacent to
the wall

= surface site fractions
The mass flux of reacting species to the surface (or away from the surface for species produced
by the reaction) equals the rate at which the species is consumed (or produced) by the reaction
on the surface.
A species flux balance at the reacting surface yields

(4-47)

(4-48)
where, the left-hand side of equation 4-47 is the diffusive flux of species i normal to the surface
and the right-hand side of equation 4-47 is the production rate of species i per unit area of
surface, on a mass basis. Equation 4-47 and equation 4-48 are solved by coupled Newton-
Raphson iterations.
The reaction (mass) flux can be computed by using two different approaches, namely the sticking
coefficient method and the general rate method. The sticking coefficient method evaluates the
production rate based on sticking probability and precursor thermal flux, while the finite-rate
chemistry uses the kinetic expression (see equation 4-44) to evaluate the reaction rate.
For sticking coefficient expression, surface reaction rate equation 4-44 becomes:

(4-49)
where sticking probability(The probability that a molecule will adsorb upon collision with the
reacting surface. It is defined as the rate of adsorption divided by the collision frequency with the
surface.) is expressed in Arrhenius from and the thermal flux of precursor species A is:

(4-50)
To fit into the format of equation 4-44, the above rate can be expressed as:
139

(4-51)
where:

(4-52)
For some surface reactions, the Arrhenius rate expression for the rate constant may need to be
modified for surface coverage by some species. In such cases, the rate constant is modified in
the following manner to account for surface coverage:

where K
i
and K
f
are the first and last surface species, c
ki
,
ki
, and
ki
are the three coverage
parameters, and X
k
(n) is the surface site fraction of the k
th
surface species on site n.
Chemistry-Turbulence-Combustion Interaction
Chemistry Module
Theory-Turbulence-Combustion Interaction-Introduction
The different turbulence models in CFD-ACE+ to model the Reynolds stresses and turbulent heat
and mass fluxes with an eddy viscosity are described in the Turbulence Module. The effect of
turbulence on chemical reaction and on composition dependent variables, such as density or
temperature, must also be considered for turbulent reacting flows. It is not enough to average the
transport equations for mass fractions in turbulent reacting flows in a manner analogous to the
treatment of heat and mass transport in a non-reacting flow. Density and temperature are
nonlinear functions of the mass fractions of each species. The average values of density and
temperature cannot be calculated from the average value of the mass fractions. The joint
probability density function (PDF) of composition is used to account for turbulence effects on
reacting flow.
The joint composition PDF is a complete statistical description of the composition of the fluid at a
single point in space and time. If the PDF is known, then the average value of any function of
composition can be evaluated by multiplying that function by the PDF and integrating over the
range of possible compositions.

(4-53)
140
Chemistry Module
where:

= the joint PDF of the N mass fractions at the
position x and time t and

= an arbitrary function of the mass fractions
Favre-averaged quantities can be calculated by defining a Favre-averaged PDF:

(4-
54)
The Favre-averaged form of the PDF is used in CFD-ACE+. The tilde will be omitted in the
following discussion.
CFD-ACE+ uses an assumed PDF model for turbulent reacting flows. A parametric form of the
PDF is assumed and the parameters in the model are related to variables governed by transport
equations. The parametric form of the PDF used in CFD-ACE+ assumes the composition can be
specified by a single mixture fraction and a single reaction progress variable. This assumption
limits the reaction models available when the prescribed PDF models is used. A single-step
instantaneous or finite-rate reaction can be used. The mass diffusivities of all species must be
equal and no more than two mixtures can be defined.
The Turbulence Combustion Interaction section includes:
- Determining PDF
- Determining Averaged Variables
- Operator Splitting
- In Situ Adaptive Tabulation (ISAT)
- Subgrid Linear Eddy Model
- Application to Large Eddy Simulation
Turbulence-Combustion Interaction-Determining PDF
Chemistry Module
Theory-Turbulence-Combustion Interaction-Determining PDF
In CFD-ACE+, the joint composition PDF is a function of a mixture fraction and a reaction
progress variable. The reaction progress is defined as:

(4-55)
where Y
f
is the mass fraction of the fuel in the one step reaction and the minimum and maximum
values are functions of the mixture fraction. The mixture fraction and reaction progress are
assumed to be independent, so the two-dimensional PDF is a product of the two one-dimensional
PDFs.
141

(4-56)
The one-dimensional PDFs have two parameters that are related to the average and variance of
the mixture fraction or reaction progress. Transport equations are solved for the average and
variance of the corresponding variable. (Note: A transport equation is solved for the average fuel
fraction instead of the average reaction progress because the reaction progress is not well
defined when no fuel or no oxidizer is present. The average reaction progress is calculated from
the average fuel fraction and mixture fraction.)
The transport equations for the average mixture fraction and average fuel fraction are derived by
averaging equation 4-19 and equation 4-38. The source term due to chemistry in equation 4-38 is
averaged using the joint PDF. The transport equations for the variances of the mixture fraction
and reaction progress include production terms caused by gradients in the average values,
dissipation terms, and (for the reaction progress) a term due to chemical reaction.

(4-57)

(4-58)
In preceding equation, C
D
has the value of 2.
See Also
- Reaction Progress PDF
- Mixture Fraction PDF
Chemistry Module
Theory-Turbulence-Combustion Interaction-Reaction Progress PDF
Two choices are available for the reaction progress PDF. One is the top-hat function described
below for the mixture fraction PDF. The other is a tri-delta function with three possible values.
142
Chemistry Module

(4-59)
Chemistry Module
Theory-Turbulence-Combustion Interaction-Mixture Fraction PDF
Two choices are available for the mixture fraction PDF: a top-hat and beta PDF. The top-hat PDF
has uniform probability between a minimum and maximum mixture fraction, with discrete
probabilities for mixture fraction values of 0 and 1.

(4-60)
The parameters for the top-hat PDF are given below, as functions of the average and variance of
the mixture fraction.
143

144
Chemistry Module

The beta PDF is a continuous distribution defined between the values of 0 and 1.

(4-61)
The parameters for the beta PDF are:
145

(4-62)
Chemistry Module
Turbulence-Combustion Interaction-Determining Averaged Variables
Variables such as species mass fractions, temperature, and density are functions only of the
mixture fraction and reaction progress for the reaction models allowed with the prescribed PDF
model. The average values of these variables are obtained by integrating the product of the
instantaneous values of the variable of interest and the joint PDF of the mixture fraction and
reaction progress over the range of mixture fraction and reaction progress.

(4-63)

(4-64)
Since the mixture fraction and reaction progress are independent variables and the PDF for the
reaction progress only has discrete values the two-dimensional integrals can be evaluated as a
sum of one-dimensional integrals. For example:

(4-65)
where c
1
, c
2
, and c
3
are the probabilities of the reaction progress equaling 0, , and 1. The
integrals are evaluated numerically for different values of the average mixture fraction before the
transport equations are solved. During the solution of the transport equations governing the
problem, the average values of variables are determined by linear interpolation from the stored
data.
Chemistry Module
Turbulence-Combustion Interaction-Operator Splitting
This capability allows chemical kinetics to be treated separately from convection and diffusion.
The de-coupling of the chemistry from the convection and diffusion provides better convergence
of the governing transport equations compared to traditional (sequential) finite volume flow
solvers. This approach requires time steps that are smaller than the cell residence time, condition
146
Chemistry Module
which is easily satisfied when performing Large Eddy Simulations. The option of fast table look-up
of integrated species increments (In Situ Adaptive Tabulation - ISAT) should be used to replace
the expensive direct integrations required in the ODE solver. The tabulation algorithm already
assumes Operator Splitting.
Chemistry Module
Turbulence-Combustion Interaction-In Situ Adaptive Tabulation (ISAT)
For chemistry problems involving more than ten degrees of freedom, direct integration is an
impractical solution to detailed kinetics simulations. One of the better alternatives relies on
dynamic generation of look-up tables - In Situ Adaptive Tabulation (Pope, 1997). The tables are
constructed during the actual reactive flow calculation and each entry represents a point from the
composition space which is accessed in the calculation, forming an unstructured, adaptive
discretization of the chemical manifold. The errors arising from the retrieval process are controlled
with satisfactory success using the concept of regions of accuracy. The retrieval process
comprises direct integration (in the early stages of the flow calculation) and search and
extrapolation on the elements of the data structure constituted as a binary tree.
ISAT can be applied only if the operator-splitting approach is employed on the composition
evolution equation, such that the effects of mixing, reaction and transport in physical space are
treated in separate steps. The solution to the reaction equation from the initial condition:

is an unique trajectory in the composition space. Given a fixed time step At, the solution:

obtained by integrating the reaction equation is a mapping of the initial condition into the reacted
value. Consequently, in the dynamically generated table, the reaction mapping values:

at particular tabulation points have to be stored. The location of the tabulation points in the
composition space is dictated by the conditions in the flow field. In addition, information about the
local properties of the chemical manifold is recorded, thus the change in the mapping values can
be calculated from the displacements in the initial condition. The local properties of the manifold
are reflected by the mapping gradient matrix:

defined as:

and by the higher order derivatives.
In the neighborhood of each tabulation point, different levels of approximation can be used. From
storage and accuracy point of views, the zeroth order approximation is the cheapest and the least
accurate. The optimal choice is the linear mapping approximation .The mapping gradient matrix is
also related to the magnitudes of the local error in using the linear approximation in the tabulation
point neighborhood. To the leading order, the local error can be estimated as c = |BGo||
where o| is the displacement from the originating point and B is a scaling matrix. I
147
In order to have a valid linear approximation, the error c should be less than the specified
tolerance c
tol
which, in combination with the intrinsic properties of the mapping gradient matrix G,
defines a region of accuracy for each tabulation point |
0
.
The region of accuracy is described by a hyper-ellipsoid having the length of the principal axes
proportional with the tolerance error and inversely proportional with the singular values of the
mapping gradient matrix (obtained from a singular value decomposition). The singular values
tend to unity if the time step tends to zero. If the time step is very large, the compositions will be
close to equilibrium and hence the singular values will tend to zero. To prevent unreasonably
large principal axes, the smaller singular values are brought to 0.5. For each query point
q

around a tabulation record, an estimate of the hyper-ellipsoid of accuracy is obtained from the
mapping gradient matrix constructed with the modified singular values. If the query point is
outside the estimated ellipsoid of accuracy, but the error is still less than the prescribed tolerance,
then the principal axes of the hyper-ellipsoid are modified such that the query point is included or
is on the boundary of the ellipsoid. Although this procedure might introduce points that do not
satisfy the error constraints, it does provide an adequate error control.
The table is built dynamically. For a given time step and a given tolerance, the chemistry
module sends a query composition to the tabulation module, and the related mapping value is
returned. The returned value is either extrapolated from a table record or is obtained by direct
integration.
The data in the table is organized in a binary tree structure. The tree leaves each contain a record
consisting of: a tabulation point, its reaction mapping vector and mapping gradient matrix (all
fixed), the corresponding unitary matrix from the singular value decomposition of the mapping
gradient matrix and the lengths of the principal axes of the current estimate of the hyper-ellipsoid
of accuracy (last two entry modifiable to accommodate growth changes). The nodes of the binary
tree contain the parameters of a cutting hyper-plane passing through the middle-point between
the children (tabulation points) of the parent node and is perpendicular to the line described by
the children. This information is used in the search process as detailed below.
For a given query composition
q
, the binary tree nodes are used to select the leaf that is likely to
be the closest to
q
, by determining the position of query point with respect to each cutting plane.
If
q
is within the estimated hyper-ellipsoid of accuracy, then using the linear approximation

the mapping value is returned. If the query is outside the estimated hyper-ellipsoid of accuracy,
the mapping is determined by direct integration and local error is computed. If the error satisfies
the tolerance constraint then the estimated hyper-ellipsoid of accuracy is grown to include the
query point (see figure 4-1). Otherwise, the new query point is entered in the table as follows. The
tree leaf with the tabulation point that was referenced in the query is replaced with a node with
children |
0
and
q
. The entries in the tree node are the parameters of the cutting plane between
the two new children.
148
Chemistry Module

Illustration of the EOA Growth Process
Chemistry Module
Turbulence-Combustion Interaction-Subgrid Linear Eddy Model
Accurate modeling of turbulent reacting flows demands the resolution of turbulence-chemistry
interaction at all ranges of length and time scales. The linear eddy mixing subgrid model (LEM)
explicitly distinguishes among the different physical processes of turbulent stirring, molecular
diffusion, and chemical reaction at all scales of the flow through the introduction of a reduced
one-dimensional description of the scalar field (Kerstein 1988).
Through this approach, it is possible to resolve all length scales of the scalar field, even for flows
with relatively high Reynolds and Schmidt numbers with affordable computational cost. Along the
one-dimensional array, detailed statistical representation of the scalar field, including both single
and multi-point statistics, can be obtained. The key to the model performance lies in the manner
in which the real physical mechanisms of turbulent mixing are represented. The molecular
diffusion is treated explicitly by the solution of the diffusion equation along the linear domain,

(4-66)
where | is the particular scalar under consideration and D is its diffusion coefficient. Thus,
molecular diffusion is treated exactly, subject to the assumption that the statistics of a three-
dimensional mixing process can be represented within the reduced dimensionality of the linear
eddy model. In regions with chemical reactions, the chemical source term can also be treated
explicitly by solution of,

(4-67)
where:
149

= the reaction rate.
Since the flow field is resolved in the one-dimensional domain, no modeling is required of the
above processes described by equation 4-66 and equation 4-67 above.
The influence of turbulent stirring is modeled stoichastically and is carried out by random
rearrangements of the scalar field along the domain. Each rearrangement event involves spatial
redistribution of the scalar field within a specified segment of the linear domain. The size of the
selected segment represents an eddy size, and the distribution of eddy sizes is obtained by
applying the Kolmogorov scaling law. Physically, rearrangement of a segment of size l represents
the action of an eddy size l on the scalar distribution. Thus, it is specified by two parameters: ,
which is a frequency parameter determining the rate of occurrence of the rearrangement events
(stirring), and f(l), which is a pdf describing the size distribution (eddy size) of the segments of the
flow which are rearranged. The values of these parameters are determined by recognizing that
the rearrangement event induces a random walk of a marker particle on the linear domain.
Equating the diffusivity of the random process with scaling for the turbulent diffusivity provides the
necessary relationships to determine and f(l). For a high Reynolds number turbulent flow
described by a Kolmogorov cascade, the result is (McMurtry et al. 1992):

(4-68)

(4-69)
where ReL is the Reynolds number based on the integral length scale, v is the kinematic
viscosity, q is the Kolmogorov scale, and L is an integral scale.
The numerical algorithm for the scalar rearrangement or turbulent stirring process is carried out
by the use of the triplet map. It involves the following steps: selecting a segment of the linear
domain for rearrangement; making three compressed copies of the scalar field in that segment;
replacing the original field by the three copies; and inverting the center copy.
An illustration of the triplet map is shown below, where the last figure shows the rearranged
scalar field after acted on by molecular diffusion. The triplet map has several important features
pertinent to the turbulent stirring process. First, the triplet map results in a tripling of the scalar
gradients within a selected segment, analogous to the effects of compressive strain. Furthermore,
a multiplicative increase in level crossings of a single scalar value results. This is analogous to
the increase in surface area of a specified scalar value, a characteristic feature of turbulent
mixing processes. In this manner, the most important features of turbulent mixing are accounted
for with this mapping: the increase in surface area and the associated increase in the scalar
gradient.
150
Chemistry Module

Triplet Map Illustration
With these parameters and mapping method specified, a stand-alone LEM model simulation is
carried out as follows. The scalar field is first initialized along the linear domain in a manner
consistent with the configuration under study. Along this domain, the effects of molecular diffusion
and chemical reaction are implemented as a continuous process as described by equation 4-66
and equation 4-67. Then at randomly selected times governed by the rate parameter l, diffusion
and reaction processes are interrupted by rearrangement events. The size of the domain to be
rearranged is randomly selected from the pdf f(l) . This process continues until a specified time
has elapsed.
Chemistry Module
Turbulence-Combustion Interaction-Application to Large Eddy Simulation
The main element of the linear eddy sub-grid formulation is the implementation of a separate
linear eddy calculation in each grid cell. This LEM model process is parameterized by the local
Reynolds number based on grid size. Within each computational grid cell, the linear eddy
simulation represents the turbulent stirring (described by equation 4-68 and equation 4-69),
molecular diffusion (equation 4-66), and chemical reaction (equation 4-67) that occur at the small
scales of the flow. Thus, differing to other sub-grid models which primarily use cell averaged
random values to model the turbulence-chemistry interaction, the LEM sub-grid model directly
resolves the turbulence-chemistry interaction down to the molecular diffusion scale of the flow
(well below the grid size in most engineering applications) along the 1-D array of N. While fully
resolved direct numerical simulations would require an array of dimension N3, the economy of
using the linear eddy as a sub-grid model is apparent. Furthermore, the LEM model provides a
detailed description of the small scale structure that is lacking in other parameterizations of
mixing and reaction at unresolved scales.
151

Schematic illustration of LEM splicing events, where the 1-D elements represents the
ongoing linear eddy calculation and the arrows indicate the components of convective flux
across the grid cell surfaces (McMurtry et al. 1993).
However, the implementation of LEM sub-grid model in LES requires another process to couple
the sub-grid mixing process to the large-scale transport process responsible for convection
across grid cell surface. This is achieved by splicing events, in which portions of the linear eddy
domains are transferred to neighboring grid cells, as shown. The amount of material transferred
across each cell boundary is determined based on the convective flux across the same cell
surface, as computed from the resolvable grid scale velocity. These splicing events occur at a
frequency with a time step comparable to the LES time step, which is much larger than the
molecular diffusion time step governing the convection-diffusion-reaction process in each sub-
grid.
Chemistry Module
Limitations
The diffusion coefficient (I) is same for all the mixture fractions in the mixture fraction option of
the Chemistry module.
The Instantaneous Chemistry Model is valid when the mass diffusivities of all species are equal.
The Single-Step Finite Rate Chemistry Model is applicable only to two reactant species.
The LEM sub-grid model is applicable only to the species option of the Chemistry module.
Chemistry-Implementation
152
Chemistry Module
Chemistry Module
Implementation-Introduction
The Implementation section describes how to setup a model for simulation using the Chemistry
guidelines
- Model Setup and Solution - Describes the Chemistry Module related inputs to the CFD-
ACE-Solver
Chemistry Module
The Chemistry Module can be applied to any geometric system (3D, 2D planar, or 2D
Implementation-Model Setup and Solution
Chemistry Module
Model Setup and Solution-Introduction
CFD-ACE+ provides the inputs required for the Chemistry Module. Model setup and solution
requires data for the following panels:
- Problem Type
- Model Options
- Volume Conditions
- Solver Control
- Output
Chemistry Module
Type for details.
Select Chemistry to activate the Chemistry Module. The Chemistry Module is required for any
simulation that involves the mixing or reacting of multiple gases. Whenever the Chemistry Module
has been activated, you must also activate the Flow module. The Chemistry Module should not
be activated with the Cavitation, Free Surface, or Two Fluid Modules.
Model Setup and Solution-Model Options
Chemistry Module
Options for details. The Chemistry Model Options section includes:
153
- Model Options-Shared
- Model Options-Chem
- Model Options-Chem-Gas Phase
- Model Options-Chem-Liquid Phase
- Model Options-Unsteady Combustion
- Model Options-In Situ Adaptive Tabulation (ISAT)
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Shared
There are no settings under the Shared tab that affect the Chemistry Module. See Model Options
for details.
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Chemistry
The model options for the Chemistry Module are located under the Chemistry tab. The Chemistry
Media section's Media field contains a pull-down menu with two choices:
- Gas Phase - Select the gas option to study gas related problems.
- Liquid Phase - Select the liquid option to study electrochemistry problems.
The example below displays the Gas Phase section that appears when the Gas Phase option is
selected.

Chemistry Module - Model Options Panel - Chemistry Tab

Chemistry Module
Implementation-Model Setup and Solution-Model Options-Chem-Gas Phase
When you select Chem Tab->Chemistry Media->Gas Phase option, the Gas Phase section of the
panel appears. It enables you select a pre-defined reaction mechanism to be applied to all of the
fluid regions of the solution domain. You can specify reaction mechanisms in the Reaction
Database Manager (see Database Managers).
154
Chemistry Module

Model Options - Chem Tab - Gas Phase
The Chem Tab-Gas Phase section's Solve For field contains a pull-down menu with two choices:
- Mixture Mass Fractions
- Species Mass Fractions (for gas phase reactions).
Mixture Mass Fraction
If you select Mixture Mass Fraction, you can apply any reaction mechanism that is Instantaneous,
Equilibrium, or Finite-Rate (for Mixture Fraction Approach). Mixture Mass Fraction usually
requires fewer transport equations than Species Mass Fraction. However, some models and fluid
property options are not available for Mixture Mass Fraction, as shown in the following table. If
you would like to use one of these models, you must activate Species Mass Fraction.
Species Mass Fraction
If you select Species Mass Fraction, you must select a Finite-Rate (for Species Fraction
Approach) mechanism. Select Species Mass Fraction if you anticipate using one of the models
available only for this approach during a later restart run.
Models for Mixture Mass Fraction and Species Mass
Fraction Mass Transport
Mixture Mass Fraction Species Mass Fraction
Chemistry Chemistry
Finite-Rate (single step)
Reactions
Finite-Rate (multi step)
Reactions
Instantaneous Reactions Surface Reactions
Equilibrium Reactions
Properties (viscosity,
conductivity) by Kinetic
Theory
155
Multi-Component Diffusion
Model Options-Chem-Gas Phase-Reaction Models
Chemistry Module
Gas Phase Options - Nitrous NOX
The nitrous oxide mechanism for the production of NOX can be significant, even dominant, for
lean flame conditions. The mechanism is initiated by the reaction .
Production of NOX by the nitrous oxide pathway is modeled in CFD-ACE+ as a residence time
dependent component and a prompt component (similar to thermal NOX production). The
prompt component is the result of super-equilibrium of radicals in the flame region. The
residence time dependent NOX production is modeled by:

(1)
where the reaction rate is determined from with A=2.0e7 and E/R=35000 in SI
units. The constants were set by matching the detailed kinetics results from LSENS. The prompt
component of nitrous NOX production is modeled by:

(2)
where the reaction rate is determined from with A=1.9e3 and E/R=16000 in
SI units and the exponent a=0.45. The subscript b indicates concentrations that are determined
from the amount of those species entering the cell before reaction occurs. The prompt
component of nitrous NOX is turned on only if the prompt NOX model is also turned on.
Chemistry Module
Gas Phase Options - Prompt NOX
Prompt NOX is formed in the flame region for hydrocarbon fuels primarily through reactions
involving HCN. A global reaction for the production of NOX by the prompt mechanism derived by
De Soete and further discussed by Pourkashanian, et al. is the basis for the model used in CFD-
Ace+:

(1)
The reaction rate is determined from with A=5.0 and E/R=6000 in SI units.
The concentration order ranges from 0 to 1 and is found as a function of the mole fraction
from a curve fit of the graphical data given in Reference 3. is a correction factor that is a
function of the local equivalence ratio, pressure, and the number of carbon atoms in the fuel. The
concentrations of the fuel and are based on the amount of those species entering the cell
before reaction occurs. The NOX production is proportional to the flame area in the cell rather
than the cell volume.
Chemistry Module
Gas Phase Options - Effects of Turbulent/Chemistry Interaction
156
Chemistry Module
The production of NOX, especially thermal NOX, increases exponentially with temperature.
Because of the strong nonlinearity, significant inaccuracy may be introduced by using mean
values of temperature and species concentrations in determining NOX source terms. The
turbulent variations in these quantities can be accounted for by using a density-weighted
probability density function (PDF) on the mixture fraction variable and/or the progress variable. A
PDF on the mixture fraction is most important for diffusion flames and a PDF on the progress
variable is most important for premixed flames. A combination of both is often best for partially
premixed flames. The PDF formulation is limited to cases in which the mixture fraction of all the
species can be determined from one conserved scalar (mixture fraction) and/or a progress
variable. The progress variable ranges from 0 for unburnt mixtures to 1 for burnt mixtures. The
PDF shape for the mixture fraction is assumed to be either a top-hat or Beta function. The PDF
shape for the mixture fraction is assumed to be either a 3-Delta or a 5-Delta function. The Delta
functions for the progress variable allow for efficient 2-D integration when both mixture fraction
and progress variable PDFs are used.
The mean value of the NOX source term is evaluated at each cell using the prescribed PDF from

(1)

where is the NO source term, F is the mixture fraction, and P is density-weighted PDF of the
mixture fraction. The mean density is found from

(2)
The assumed PDF shapes for the mixture fraction (top-hat or beta) are dependent on the mean
mixture fraction (available from CFD-ACE+) and the variance of the mixture fraction. The
variance is either read from the CFD-ACE+ Restart file, if available, or calculated by CFD-POST
from the steady-state transport equation

(3)
where

(4)
The assumed PDF shapes (Delta functions) are dependent on the mean progress variable and
the variance of the progress variable. The progress variable variance must be available from
CFD-ACE+.
Chemistry Module
Gas Phase Options - CO Post Processing
CO concentrations in 2-D or 3-D reacting flow fields are calculated by assuming that the deviation
of the calculated CO field from the equilibrium value is small or that the calculated CO
concentration is small so that the post-processed CO concentration has negligible effect on the
heat release and the overall flow field. It is also assumed that equilibrium values of , CO and
OH have been calculated by CFD-ACE+ for the Warnatz CO oxidation option or that equilibrium
157
values of , CO, , and have been calculated for the Dryer-Glassman CO oxidation
option. The reaction in CFD-ACE+ may be either instantaneous or 1-step with equilibrium
products. The CO field is solved by calculating the CO source term for each cell and using the
convective and diffusive fields from CFD-ACE+ (from the .AFL file). The solution assumes that
the upwind differencing scheme was used in CFD-ACE+ (See Mass Flow). CO is produced from
the consumption of fuel. For example, consumption of 1 mole of (as predicted by CFD-
ACE+) produces 3 moles of CO. The CO concentration is also constrained in the solution to be
greater than or equal to the equilibrium CO concentration. The Warnatz option for CO oxidation
reaction is given by

(1)
From this reaction, the destruction of CO can be expressed as

(2)
where the reaction rate is determined from with , , and
in SI units. The subscript e indicates equilibrium concentrations. The constant A
has been modified in CFD-POST to a value of to better fit experimental results for practical
combustors.
The oxidation of CO for the Dryer-Glassman option is given by

(3)
where the reaction rate is determined from with , , and
in SI units. The constant A has been modified in CFD-POST to a value of
to better fit experimental results for practical combustors.
A similar model is also given by Howard et al. and additional work on CO oxidation is given by
Baulch and Drysdale.
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Chem-Liquid Phase
When you choose Chem Tab->Chemistry Media->Liquid Phase, the Liquid Phase section of the
panel appears.
158
Chemistry Module

Model Options - Chem Tab - Liquid Phase
Liquid Phase
The Liquid Phase section contains an Applications pull-down menu with the following options:
- General Liquid Chemistry
o Solve Concentration - When you choose this option, you must then go to the Tools Menu-
>Database option. The Database Manager opens. Click the Species button and define
your species. Click the Mixtures button. Under User Input, select the Concentration
option. At the bottom of the window, select Enter Molar Concentration.
o Binary Diffusion
o Volume Reaction

General Liquid Chemistry Option

- Biochemistry
o Binary Diffusion
o Volume Reaction
o Ionization
159

Biochemistry Option

Chemistry Module
Implementation-Model Setup and Solution-Model Options-Unsteady Combustion
This model option is visible only for unsteady problems with Gas Phase media and the Species
Mass Fraction approach selected. This feature is available only for CFD-ACE+ reaction sources.
By activating Solve Combustion you can select a combustion model with the option to use ISAT
in the calculation.
Laminar Chemistry with Operator Splitting is the default combustion model with the option
Staggered Chemistry. This feature is very useful for accelerating the solution for large problems
with complicated reaction mechanisms. By picking this option, the chemical rates are computed
only once per time step at the last iteration and saved for the next time step.
When the Large Eddy Simulation closure Localized Dynamic is used you may choose another
combustion model, the Sub-grid Linear Eddy Model, which is dependent on the sub-grid kinetic
energy.
You may select the Integrated Mean Reaction LEM option for greater accuracy of the reaction
rates calculation. This forces the chemistry module to integrate the reaction rates within each time
sub-time step. Otherwise, the rates are calculated by simply calling the kinetic rate subroutines -
a faster approach but less accurate.
To further speed up the simulation, you can set a Reaction Cutoff Temperature. In all cells of the
computational domain for which the temperature is less than the cutoff value, the reactions rates
are set to zero. The default value is 300K.
Chemistry Module
Implementation-Model Setup and Solution-Model Options-In Situ Adaptive Tabulation
(ISAT)
The ISAT algorithm may be chosen by checking Use ISAT for the available combustion models.
ISAT reduces the number of direct integrations or full reaction rates calculations that are
performed for each cell during the simulation. You can set several parameters for this algorithm.
The ISAT algorithm may optimized further by the use of multiple trees as function of temperature
range and by controlling the size and their efficiency.
The temperature range can be divided in a number of Temperature Intervals such that each
interval is represented by an ISAT tree. Specify the temperature range by setting the Maximum
Temperature and Minimum Temperature values.
If you choose Scale Temperature, the Maximum Temperature value is also used for scaling the
temperature variable, thus setting the error control level with respect to the [0,1] range.
The ISAT Tolerance parameter dictates the accuracy of the ISAT algorithm. The smaller the
value the more direct integrations are performed.
160
Chemistry Module
The efficiency of the ISAT is controlled by setting the maximum number of records in the tree with
Maximum Additions and the ISAT Threshold which represents the ratio of additions per number of
queries. When these values are exceeded the tree is deleted and a new tree is built. This ensures
that the root of the tree is situated closer to the center of the chemical manifold, resulting in a
more balanced tree structure and hence greater efficiency.
In the case of SVD non-convergence, the maximum number of iterations for the Singular Value
Decomposition algorithm can be increased with SVD Max. Iterations.
You may also choose between three kinds of ISAT algorithms differentiated by the type of
extrapolation method used in the error control. The Full Algorithm uses linear extrapolation and
growth of regions of accuracy. The Linear Extrapolation results in fixed regions of accuracy. The
Zeroth Order Approximation uses direct values that were previously stored in the tree. The trade-
off is again between speed and accuracy.
When ISAT is used with Sub-grid Linear Eddy Model and the Integrated Mean Reaction LEM
option checked, the user may divide the sub-grid time step into several ISAT trees with LEM Time
Intervals. The control over this value is not entirely in the possession of the user, in that the
minimum number of time intervals is not known a priori and has to be set in an iterative manner.
Model Setup and Solution-Volume Conditions
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Introduction
Volume Conditions for details. Before any property values can be assigned, a volume condition
entity must be made active by picking a valid entity from either the Viewer Window or the VC
Explorer.
With the volume condition setting mode set to Properties, select any volume conditions and
ensure that the volume condition type is set to Fluid. Only volume conditions that are of Fluid type
need to have mixing properties specified (since there is no flow in solid or blocked regions there
are no mixing properties for those regions.)
There are five volume condition properties required by the Chemistry Module; density, viscosity,
specific heat, conductivity, and mass diffusion. The density and viscosity properties are discussed
in detail in the Flow Module-Volume Conditions) and the specific heat and conductivity properties
are discussed in detail in the Heat Transfer Module-Volume Conditions). The Volume Conditions
section includes:
- Volume Conditions-Mass Diffusion
- Volume Conditions-Constant Schmidt Number
- Volume Conditions-Constant Diffusivity
- Volume Conditions-Mix Polynomial in T
- Volume Conditions-Multi-Component Diffusion
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Mass Diffusion
The options available for Mass Diffusion vary depending on whether the Mixture Mass Fraction or
Species Mass Fraction approach has been selected (see Solution Method).
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Constant Schmidt Number
161
Mass diffusion by a constant Schmidt Number can be used for both the Mixture and Species
Mass Fraction approaches. When you specify a constant Schmidt Number (o), the diffusion
coefficient is calculated as:

(4-70)
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Constant Diffusivity
You can specify a constant value of diffusion coefficient for a particular species using the
Database Manager. Under the Database Manager, select the species of interest and under
General tab, specify the value of diffusivity as coefficient c0.
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Mix Polynomial in T
You can specify a fifth order polynomial for the variation of diffusivity as a function of
Temperature. This is done in property manager under the General tab for each individual species.
Coefficients c0, c1, c2, c3, c4 and c5 can be specified.
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Multi-Component Diffusion
A more accurate model of the diffusive flux of each species is obtained by using the multi-
component diffusion model. Multi-component diffusion can be activated only if you have selected
mass transport by species mass fraction equations from the Model Options page (see Solution
Method).
For the multi-component diffusion option, the species diffusive flux is split into two parts as shown
below.

(4-71)
The first part is the concentration-driven diffusion and is calculated as:

(4-72)
The second part is the thermo-diffusion or Soret diffusion and is calculated as:

(4-73)
The concentration-driven diffusion coefficient is then calculated as:
162
Chemistry Module

(4-74)
where
D
ij
=

=

=
Lennard-Jones collision diameter

=
the collision integral
The collision integral, , is evaluated from the dimensionless temperature k
B
/c
ij

where
k
B
= Boltzmann constant
c
ij
=
characteristic energy of
interaction,

Optionally, thermo-diffusion can be added to the concentration-driven diffusion by checking the
Thermo-diffusion button. This option accounts for the species diffusion due to gradients of
temperature. If this option is selected, the thermo-diffusion coefficient is calculated as:

(4-75)
where k
ij
is the therm-odiffusion ratio.
163
The Multi-component Diffusion option also requires that you specify a method by which the
program will satisfy species conservation i.e.:

(4-76)
There are three options:
- None - The default of None means that the program will not strictly enforce species
conservation for three or more species systems. For two species systems, the multi-
component diffusion model does ensure species conservation
- Reference Species - You can provide a Reference specie (usually the one with the large
concentration) and the program then calculates the mass fraction of this reference
species as 1.0 minus the sum of the remaining species concentrations.
- Stefan-Maxwell - You can request the Stefan-Maxwell model in which the program uses
an approximate form of the Stefan Maxwell equations to ensure species conservation.
Model Setup and Solution-Boundary Conditions
Chemistry Module
Click the Boundary Conditions [BC] tab to see the Boundary Conditions. See Control Panel-
Boundary Conditions for details. To assign boundary conditions and activate additional panel
options, select an entity from the viewer window or the BC Explorer.
The Chemistry Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface
boundary conditions. (See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions , or
Arbitrary Interface Boundary Conditions for details).
The general boundary conditions for the Chemistry Module are located under the Chemistry tab
and can be reached when the boundary condition setting mode is set to General. Each boundary
condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). The Chemistry Boundary Conditions
section includes:
- Boundary Conditions-Inlets
- Boundary Conditions-Outlets
- Boundary Conditions-Walls
- Boundary Conditions-Surface Reactions
- Boundary Conditions-Rotating Walls
- Boundary Conditions-Interfaces
- Boundary Conditions-Thin Walls
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Inlets
164
Chemistry Module
For any inlet boundary condition, you must specify how to set the species concentration for each
cell face on the boundary condition patch.
To set species concentration for an inlet boundary condition:
1. Select a previously defined mixture to be brought in at the inlet.
2. Under the Chemistry tab, select an option from the pull down menu (it lists all of the
mixtures defined for the model).
3. If the mixture is not present, click the Define button to launch the Property Manager and
define a new mixture.
See Database Manager-Mixtures for details on how to define a mixture.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Outlets
Under the Chemistry tab, specify a mixture for the outlet boundary condition just as you would for
an inlet. This mixture will only be used where there is inflow through the outlet boundary
condition.
Inflow through an outlet can occur anytime during the solution convergence process (even if the
final solution indicates all outflow) so it is recommended that you supply a reasonable mixture
definition. If the final solution shows inflow through an outlet boundary condition, this indicates
that the boundary condition may not have been located in an appropriate place. When this
happens, an unphysical solution and convergence problems may result and you should relocate
the outlet boundary condition to an area where there is total outflow if possible.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Walls
Various boundary conditions can be specified under the Chemistry tab. They are:
- Zero Flux - Flux of all species to the walls is set to zero
- Fixed Mixture - You can specify the mixture composition on all the cells adjacent to the
wall. You must ensure that SUMMATION = 0. This mixture can be defined in the property
manager and will show up in the list of mixtures available for this boundary. This option is
valid only when Liquid is selected.
- Species Specification - This is similar to the Fixed Mixture boundary condition. You can
pick each one of the species available in a mixture and choose one of the four evaluation
techniques in Evaluation method for that particular species. This option is valid only when
Liquid is selected.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Surface Reactions
You can specify a surface reaction mechanism to be applied to each wall boundary condition.
Under the Surface Reactions tab is a pull-down menu that lists all of the surface reaction
mechanisms defined for the model. If the mechanism is not present, press the Define button to
launch the Surface Reaction Manager and define a new mechanism. See Database Manager-
Surface Reaction Mechanisms for details on how to define a surface reaction mechanism.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Rotating Walls
165
The Chemistry Module boundary condition specifications for rotating walls are identical to that as
described for wall boundary conditions. They are:
- Zero Flux - Flux of all species to the walls is set to zero
- Fixed Mixture - You can specify the mixture composition on all the cells adjacent to the
wall. You must ensure that SUMMATION = 0. This mixture can be defined in the property
manager and will show up in the list of mixtures available for this boundary. This option is
valid only when Liquid is selected.
- Species Specification - This is similar to the Fixed Mixture boundary condition. You can
pick each one of the species available in a mixture and choose one of the four evaluation
techniques in Evaluation method for that particular species. This option is valid only when
Liquid is selected.
Chemistry Module
The symmetry boundary condition is a zero-gradient condition. Species are not allowed to cross
the symmetry boundary condition. There are no Chemistry Module related values for symmetry
boundary conditions.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Interfaces
The interface boundary condition allows two computational regions to communicate information. If
the interface boundary condition lies between a fluid volume condition and a solid volume
condition, then you may specify a surface reaction mechanism to be applied to that location.
Interface boundary conditions can be converted to Thin Walls. See Thin-Wall Boundary
Conditions and Arbitrary Interface Boundary Conditions for information on other ways for
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Thin Walls
The Thin Wall boundary condition is fully supported by the Chemistry Module. See Thin-Wall
Boundary Conditions for instructions on how to setup a thin wall boundary condition.
The Chemistry Module treats a thin wall boundary condition the same as a wall boundary
condition (see Walls). Under the Chemistry tab, there are inputs available for surface reaction
specification if surface reactions have been activated.
Chemistry Module
The Cyclic boundary condition is fully supported by the Chemistry Module. See Cyclic Boundary
Conditions to learn how to setup a cyclic boundary condition. There are no Chemistry Module
related settings for the cyclic boundary condition.
Chemistry Module
You can specify the Initial Conditions as constant values or read from a previously run solution
file. If you specify constant values, you must provide an initial mixture as required by the
166
Chemistry Module
Chemistry Module. The mixture definition can be found under the Chemistry tab. The mixture
definition must be previously defined using the Property Database Manager. See Database
Manager-Mixtures for details on defining mixtures.
Although the Initial Condition mixture does not affect the final solution, a reasonable mixture
should be specified so that the solution does not have convergence problems at start-up.
Chemistry Module
Click the Solver Control [SC] tab to see the Solver Control Panel and obtain access to the
settings that control the numerical aspects of the CFD-ACE-Solver and output. It includes:
- Spatial Differencing Scheme
- Solver Selection
- Under-Relaxation Parameters
- Variable Limits
Chemistry Module
terms in the equations. Activating the Chemistry Module enables you to set species or mixture
mass fraction calculations. The default method is first order upwind. See Control Panel-Solver
Controls-Spatial Differencing Scheme for more information on the different differencing schemes
available. See Numerical Methods for numerical details of the differencing schemes.
Chemistry Module
Activating the Chemistry Module enables you to set the mixture or species mass fraction
equations. The default linear equation solver is the conjugate gradient squared + preconditioning
(CGS+Pre) solver with 50 sweeps. See Solver Selection for more information on the different
linear equation solvers available and Linear Equation Solvers for numerical details of the linear
equation solvers.
Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Under Relaxation Parameters
Under the Relaxation tab, select the amount of under-relaxation to be applied for each of the
dependent (solved) and auxiliary variables used for the equations. Activating the Chemistry
Module enables you to set the mixture or species mass fraction dependent variables. See Under
Relaxation Parameters for more information on the mechanics of setting the under relaxation
values. See Under Relaxation for numerical details of how under-relaxation is applied.
The mixture or species mass fraction equations use an inertial under relaxation scheme and the
default values are 0.2. Increasing this value applies more under relaxation and therefore adds
167
Chemistry Module
Under the Limits tab, select the settings for minimum and maximum allowed variable values.
CFD-ACE+ will ensure that the value of any given variable will always remain within these limits
by clamping the value. Activating the Chemistry Module enables you to set limits for the mixture
or species mass fraction variables. See Control Panel-Solver Controls-Variable Limits for more
information on how limits are applied.
The default minimum and maximum limits for the mixture or species mass fractions are 0 and 1
respectively. These limits should not be changed or an unphysical solution may result.
Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Advanced Settings
Advanced Settings
Shared
Buffered Output

Higher Accuracy
Chem
There are three settings under the advanced options tab: Cut Diffusion (Chem) at Inlets, CFL
Relaxation, and Species Conservation Enforced.
The Inlet Diffusion option allows you to disable the species diffusive link to an inlet boundary. For
low pressure transport problems this may be important because it allows you to prevent the
diffusive loss of species through an inlet and gives you better control over the amount of each
species in the domain since you only have to account for inlet convection.
When using CFL based relaxation, an effective time step is calculated for each computational cell
(local time stepping). The size of the cells effective time step is calculated by determining the
minimum time scale required for convection, diffusion, or chemistry to occur in that cell. This
minimum time scale is then multiplied by a user input factor to determine the final effective time
step which will be used for that cell.
going to SC-->Adv and checking the appropriate check boxes for each module. The relaxation
factor defined in SC-->Relax is used as the CFL multiplier.
Rule of Thumb: Inverse value of the usual inertial relaxation factor.
Effect of Value:
- 5 = Default Value
The Species Concentration Enforced option is intended for use with PEM fuel cell cases, but
could be used for other applications. For multicomponent diffusion problems, it is recommended
that the Stefan-Maxwell enforcement method be used for species conservation.
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Chemistry Module
Chemistry Module
Implementation-Model Setup and Solution-Output-Output Introduction
There are no settings under the Output tab that effect the Chemistry Module. See Control Panel-
Output Options for details about the available output settings.
The Output section includes:
- Graphical Output
- Printed Output
Chemistry Module
Implementation-Model Setup and Solution-Output-Graphical Output
Under the Graphics tab, select the variables to output to the graphics file (modelname.DTF).
These variables will then be available for visualization and analysis in CFD-VIEW. Activating the
Chemistry Module provides output of the variables listed in the table below:
Chemistry Module Graphical Output
Variable Units
Mixture or Species Mass Fractions -
Reaction Rate (if gas phase
reactions are present)
kg/m
3
-s
Deposition Rate (if surface reactions
are present)
kg/m
2
-s
Species Flux kg/m
2
-s
Species Diffusivity m
2
/s
Species Thermodiffusivity m
2
/s
Chemistry Module
Implementation-Model Setup and Solution-Output-Printed Output
Under the Print tab, select the printed information to be written to the text based output file
(modelname.out). Activating the Chemistry Module enables you to set the output of a species
summary. See Control Panel-Printed Output for more information on the general printed output
options including boundary condition integral output and monitor point output.
The species summary will provide a tabulated list of the integrated mass flow (kg/s) through each
flow boundary (inlets, outlets, interfaces, etc.) for each species.
169
In addition to the printed species summary, you can select gas phase species flux information at
reacting surfaces for one-way coupling to feature scale models. This coupling is only available
when you use the Species Mass Fraction solution approach, and is activated by choosing the
Feature Scale Coupling option under the Print tab. The locations and format of the output may be
specified either through the User Input option, or by requesting that a text file be read. Next,
specify the locations of the link points and the format for the flux data. The resulting data is
printed to files named modelname.nnn.FSC, where nnn is the link point number. The available
formats are:
- Generic: the actual and maximum possible fluxes of each species to the surface, in units
of #/cm2 sec, are provided. The maximum flux is the appropriate input for a feature scale
model, the actual flux is provided to allow estimation of effective sticking coefficients. The
coordinates of the actual computational face center at which the fluxes were obtained,
and the temperature of that face, are also provided.
- EVOLVE: the operating condition lines of the EVOLVE input deck are provided for the
gas phase species participating in a surface reaction at the link points. The first line of the
output is the temperature (Kelvin) and the pressure (Torr). The next line consists of the
EVOLVE 'ioper' flags for each species, with each value set to 3 to signify that the
operating condition input is fluxes in gmole/cm2 sec. The final line is the maximum fluxes
of the species to the surface . An additional file, modelname.EVSPEC, is written to
provide the species output order.
- SPEEDIE: the general SPEEDIE output format is equivalent to the Generic format,
providing the user the flexibility of choosing which species correspond to the SPEEDIE
DEPO, ION, or CHEM species.
- SPEEDIE LPCVD1 and LPCVD2: the user specifies the species in the ACE model that
will correspond to the DEPO (and DEPO2) species in the SPEEDIE LPCVD 1 (2) model,
and additionally species the substrate and deposited materials. The modelname.nn.FSC
file contains the fluxes, deposited material, and model parameter data for simulation of
low pressure chemical vapor deposition using the corresponding SPEEDIE model.
For simulations using the plasma module, additional data is provided if a sheath model is
specified at the reacting surface. In this case, the energy and angular distribution functions are
written for each ion at the surface in files named modelname.(e,a)df.species_name.nnn.dat.
These files provide probability distributions for the energy and angular distributions of the ions
striking the surface, with the energies in electron volts and the angles in degrees. If you select
EVOLVE format output, angular flux distribution files in EVOLVE format named
modelname.species_name.nn.EVFLX are also provided. Similarly, if you select the SPEEDIE
format, the SPEEDIE format *.mo files with energy and angular distributions for the fluxes of each
species are provided.
Chemistry Module
CFD-VIEW can post-process the solutions. When the Chemistry Module is invoked, the mixture
or species mass fraction fields are usually of interest. You can view these fields with surface
contours and analyze them using point and line probes.
For reacting problems (gas phase or surface chemistry) output of the reaction rate and/or
deposition rate are usually of interest. The deposition rate is only written on the surfaces for which
a surface reaction has been applied, and is therefore best analyzed through the use of point or
line probes. A complete list of post processing variables available as a result of using the
Chemistry Module are shown in the table.
170
Chemistry Module
Nox_Rate NOx production rate kg/(m
3
-sec)
Progress Progress Variable -
React_Rate Reaction Rate kg/(m
3
-sec)
Species name Species Mass fraction -
The species summary written to the output file (modelname.out) is used to determine quantitative
results. The species summary can also be used to judge the convergence of the simulation. Due
to the law of conservation of mass, the summation of all species flowing into and out of the
computational domain should be zero (unless species sources or sinks such as gas phase and
surface reactions are present). In the simulation a summation of exactly zero is almost
impossible, but you should see a summation that is several orders of magnitude below the total
species inflow.
Chemistry Module
What information does the CVD file contain? What is the file format?
The CVD file is written when the Chemistry module is activated and surface reactions are
occurring. The deposition/etch rate can be obtained for the reacting surface. The deposition/etch
rate is provided at every boundary face on the reacting surface. In the example CVD file below,
xf is the x location of the face center, yf is the y location of the face center, Dep/Etch Rate is
the deposition/etch rate at each boundary face. and SumYw-1 is the summation of the mass
fractions at the wall minus one. Note that the deposition/etch rate is reported in microns/min.

Dep(-ve)/Etch(+ve) rate in microns/min
xf yf Dep/Etch Rate SumYw-1
-0.300000E-01 0.100000E-01 0.000000E+00 0.2400E-
07
-0.300000E-01 0.235584E-01 0.000000E+00 0.2394E-
07
-0.300000E-01 0.385712E-01 0.000000E+00 0.2380E-
07
I have specified bulk species as a product in my reaction, but I do not see and
deposition/etch rate?
When using bulk species in a reaction, the bulk species must be the first product species in the
reaction. If the bulk species is not the first product species in the reaction, then you will not see
any deposition or etching (given as a deposition or etching rate in CFD-VIEW). Here is an
example of a correct reaction and an incorrect reaction:
A + B > C(B) + D (Correct)
A + B > D + C (B) (Incorrect)
171
172
Chemistry Module
Examples
The following tutorial uses the Flow, Heat Transfer, and Chemistry Module exclusively:
- Surface Reaction in a 2-D Reactor
The following tutorials use the Flow, Heat Transfer, and Chemistry Module in conjunction with
one or more other modules:
Chemistry Module
References
Kerstein, A. R., "A Linear Eddy Model of Turbulent Scalar Transport and Mixing." Combust. Sci.
Tech. 60, p. 391, 1988.
McMurtry, P. A., Menon, S., and Kerstein, A. R., "A Linear Eddy Sub-Grid Model for Turbulent
Reacting Flows: Application to Hydrogen-Air Combustion." Twenty-Four Symposium
(international) on Combustion, The Combustion Institute, pp. 271-278 (1992).
Pope, S.B., (1997), Computationally Efficient Implementation of Combustion Chemistry Using In
Situ Adaptive Tabulation. Combustion Theory and Modeling, Vol. 1, pp. 41-63.
Pratt David T., Wormeck, John J., CREK, A computer program for calculation of Combustion
Reaction Equilibrium and Kinetics in Laminar or Turbulent Flow. Thermal Energy Laboratory
Department of Mechanical Engineering, Washington State University Report WSU-ME-TEL-
76-1.Pullman, WA: 1976.
Somorjai, G. A., Introduction to Surface Chemistry and Catalysis, Wiley-Interscience, New York,
1994

User Scalar Module
User Scalar Module
Introduction
The User Scalar Module enables you to compute the transport of scalars. Activating the User
Scalar Module implies the solution of one or more scalar variables (by solving a general transport
equation for each requested scalar). This capability is often used with one or more of the other
CFD-ACE+ modules to provide a multi-physics based solution to an engineering problem (such
as coupling a user scalar with flow, heat transfer, mixing, etc.). The user scalar can be passive
(i.e., it does not affect any other solution variable), or active (i.e., other solution variables are
affected by the scalar field). The User Scalar Module includes:
- User Scalar-Applications
- User Scalar-Features
- User Scalar-Theory
- User Scalar-Limitations
- User Scalar-Implementation
- User Scalar-Frequently Asked Questions
- User Scalar-References
User Scalar Module
Applications
The User Scalar Module enables you to model any passive or active scalar quantity. The more
common applications are for electric potential, electromagnetic fields, and inert/passive chemical
species (tracers).
User Scalar Module
Features
The User Scalar Module has many features which may or may not be activated for a simulation.
Scalar Types
The User Scalar Module provides a solution to almost any type of scalar problem. There are three
classes of scalar variables: generalized scalar, passive scalar, and Poisson scalar. The difference
between each is the transport mechanism that is allowed in fluid and solid regions. The
differences are summarized in the table.
- General Scalar - For a general scalar, in addition to convective and diffusive transport in
the fluid phase, the diffusional transport of the specified scalar inside solids is included in
the computation.
- Passive Scalar - Passive scalars do not affect the velocity, thermal, or any other
computed field. Transport of such scalars inside solids (convective or diffusive) is not
permitted.
- Poisson Scalar - For Poisson scalars, diffusion is the only mechanism of transport in
both solids and fluids. Convective effects are turned off in computing their transport. The
173
density is taken out of the generic transport equation. One typical example of this type of
scalar is the electric potential.
Transport Mechanisms for Different Types of User Scalars

Transport Mechanism
in Fluid Volumes
Transport Mechanism
in Solid Volumes

Scalar
Type
Convection Diffusion Convection Diffusion
General yes yes N/A yes
Passive yes yes N/A no
Poisson no yes N/A yes
Scalar Control
You can control the behavior of user scalars through the user subroutines. User subroutines
enable you to modify the user scalar source terms, boundary conditions, and diffusivity. This
allows you to couple the user scalar equations with other equations in your simulation. See User
Subroutines for more information.
User Scalar Module
Theory
The generic transport equation of a user scalar | is written as:

(5-1)
where D is the diffusivity and S
|
is the volumetric source term.
For all the scalars, the boundary conditions are generalized as:

(5-2)
where n denotes the normal direction at the boundary. You can choose appropriate values for the
three coefficients A, B, and C to specify the desired boundary conditions (see Boundary
Conditions).
174
User Scalar Module
At a solid/solid or fluid/solid interface, the diffusive flux normal to the boundary is conserved:

(5-3)
User Scalar Module
Limitations
The User Scalar module is currently not compatible with the Free Surfaces Module (VOF).
User Scalar-Implementation
User Scalar Module
The Implementation describes how to setup a model for simulation using the User Scalar Module.
It includes:
guidelines.
- Model Setup and Solution - Describes the User Scalar Module related inputs.
- Post Processing - Provides tips on what to look for in the solution output.
User Scalar Module
You can apply the User Scalar Module to any geometric system (3D, 2D planar, or 2D
axisymmetric). All grid cell types are supported (quad, tri, hex, tet, prism, poly).
User Scalar Module
CFD-ACE+ provides the inputs required for the User Scalar Module. Model Setup and Solution
- Problem Type
- Model Options
- Volume Conditions
- Solver Control
- Output
175
User Scalar Module
Type for details.
Select User Scalar to activate the User Scalar Module. The User Scalar Module can work with
any of the other modules in CFD-ACE+.
User Scalar Module
Implementation-Model Setup and Solution-Model Options
Options for details. All of the model options for the User Scalar Module are located under the
User Scalar (Scalar) tab.
Shared Tab
There are no settings under the Shared tab that directly affect the User Scalar Module.
Scalar Tab
This panel enables you to specify the number of user scalars and the type and name of each user
scalar. The steps for defining this information are given below.

Model Options - Scalar Tab
1. Enter the number of scalars in the Total Scalars field and click OK.
2. In the Current Scalar field, enter the scalar number that you want to make current, or use
the arrow key at the far end of the field to specify which scalar is current.
3. For the current scalar, assign the type (see Scalar Types for detailed descriptions of each
user scalar type).
- To create a General Scalar, activate both Convection and Diffusion in Solid.
- To create a Passive Scalar, activate only Convection.
- To create a Poisson Scalar, activate only Diffusion in Solid.
4. Enter a name for the current scalar in the Scalar Name field.
5. Proceed with step 2 for every scalar.
User Scalar Module
Volume Conditions for details. Before any property values can be assigned, one or more volume
condition entities must be made active by picking valid entities from either the Viewer Window or
the VC Explorer.
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User Scalar Module
You can specify general scalar sources by changing the volume condition setting mode to Scalar.
(see Source Term Linearization for details on setting general sources).
With the volume condition setting mode set to Properties select any volume conditions. There are
three volume condition properties required by the User Scalar Module; density, viscosity and
scalar diffusivity. Density is only used by the User Scalar Module only for user scalars which are
of the General and Passive type. The viscosity property is used by the User Scalar Module only if
the scalar diffusivity is to be calculated by the Schmidt number approach. The density and
viscosity properties are discussed in detail in the Flow Module (see Volume Conditions).
A typical input panel for scalar diffusivity is shown.

Volume Condition Inputs for Scalar Diffusivity
The Total Scalars field lets you know how many user scalars have been defined (see Model
Options). You must set each user scalars diffusivity as follows.
2. For the current scalar, pick the evaluation method to be used to calculate the scalar
diffusivity (D). There are three choices available:
- Constant-D = value specified in m
2
/s.
- Schmidt Number - D = /Sc
- User Sub (udiff_scalar) - D is defined by a user subroutine (udiff_scalar). Please see
User Subroutines for details.
3. Enter the value of diffusivity or Schmidt number as appropriate.
User Scalar Module
Implementation-Model Setup and Solution-Boundary Conditions
The User Scalar Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface
boundary conditions. (See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions or
Arbitrary Interface Boundary Conditions for details on these types of boundary conditions and
instructions for how to implement them.)
All of the general boundary conditions for the User Scalar Module are located under the Scalar
tab and can be reached when the boundary condition setting mode is set to General. Each
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boundary condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). See BC Type for details on
setting boundary condition types.
The User Scalar Module differs from the other modules in the fact that the boundary condition for
a user scalar has been generalized. The method described below works for the following
boundary condition types:
- Inlets
- Outlets
- Walls
- Rotating Walls
Boundary conditions which are of type Symmetry will always have a zero gradient condition
applied for the user scalar equations. Boundary conditions which are of type Interface will have a
matching flux condition (see equation 5-3).
The generalized boundary condition for user scalars is evaluated according to the following
equation:

(5-4)
You are required to assign values to the coefficients a, b, and c. Different boundary effects can be
accomplished by the choice of coefficients a, b, and c and are summarized below.
Boundary Condition Coefficient Settings for Different Effects
Coefficient Setting
Desired
Effect
a b c
Result
Fixed Value
(Dirichlet)
a = 0

c
=
c

Fixed Flux
(Neumann)
b = 0
c
=
c

Flux as
Function of
Value
(Combined)

c
=
c

A typical input panel for any user scalar boundary condition is shown.
178
User Scalar Module

Boundary Condition Inputs for User Scalar Coefficients
Options). You must set each user scalars boundary condition coefficients:
2. For the current scalar, pick the evaluation method to be used to specify the c coefficient.
The choices are Constant value or User Defined c (see User Subroutines for details).
3. Enter the values for coefficients a, b, and c keeping in mind equation 5-4 and the
information in table 5-2.
User Scalar Module
Click the Initial Conditions [IC] tab to see the Initial Conditions Panel. See Control Panel-Initial
The Initial Conditions can be specified as constant values or read from a previously run solution
file. If constant values are specified then you must provide initial values required by the User
Scalar Module. The values are under the Scalar tab and a value must be set for every user scalar
variable.
User Scalar Module
Control for details.
The Solver Control panel provides access to the settings that control the numerical aspects of the
CFD-ACE-Solver and output options. The User Scalar Module is different than the other modules
in that all of the numerical controls are located on the Solver Control page under the Scalar tab.
179

Numerical Control Settings for User Scalar Variables
The mechanics of setting the numerical control parameters is the same for all four parameters
(Solver, Spatial Differencing, Under Relaxation, and Limits). Each parameter is displayed in its
own region, and the instructions below should be followed for every numerical control parameter:
Options). You must set each user scalars numerical control parameters as follows.
1. In the Current Scalar field, type in the scalar number that you want to make current, or
use the arrow key at the far end of the field to specify which scalar is current.
2. For the current scalar, assign an evaluation method and/or values as appropriate.
The Solver Control section includes:
180
User Scalar Module
- Solver Control-Variable Limits
User Scalar Module
In the Solvers tab, you may select the linear equation solver to be used for each user scalar
equation. The default linear equation solver is the conjugate gradient squared + preconditioning
(CGS+Pre) solver with 50 sweeps and a convergence criteria is 0.0001. See Solver Selection for
more information on the different linear equation solvers available and Linear Equation Solvers
for numerical details of the linear equation solvers.
User Scalar Module
Under the Spatial Differencing tab you may select the differencing method to be used for the
convective terms in the user scalar equations. The default method is first order Upwind. See
Control Panel-Spatial Differencing Scheme for more information on the different differencing
schemes available. Also see Numerical Methods-Discretization for numerical details of the
differencing schemes.
User Scalar Module
In the Under Relaxation region you may select the amount of under-relaxation to be applied for
each of the solved user scalar variables. See Numerical Methods-Under Relaxation for numerical
details of how under-relaxation is applied.
The user scalar equations use an inertial under relaxation scheme and the default values are 0.2.
Increasing this value applies more under-relaxation and therefore adds stability to the solution at
is applied although if the solution of the scalar equation is relatively simple, smaller values may
be used to increase the convergence rate. There are no general rules for these settings and only
experience can be a guide.
User Scalar Module
Settings for minimum and maximum allowed variable values are in the Limits region. CFD-ACE+
will ensure that the value of any variable will always remain within these limits by clamping the
value.
User Scalar Module
Implementation-Model Setup and Solution-Output
There are no settings under the Output tab that affect the User Scalar Module. See Control
Panel-Output Options for details. All scalars and the associated diffusivity coefficients are output
by default.
Printed Output
181
Under the Print tab on the Solution Control page, select the printed information to be written to
the text based output file (modelname.out). Activating the User Scalar Module allows output of a
scalar flux summary in addition to the general printed output options. See Control Panel-Printed
Output for details on the general printed output options including boundary condition integral
output and monitor point output).
The scalar flux summary will provide a tabulated list of the integrated scalar flux (scalar unit-kg/s)
through each flow boundary (inlets, outlets, interfaces, etc.).
Graphical Output
VIEW. Activating the User Scalar Module allows output of the variables listed:
Scalar Module Graphical Output
Variable Units
Density kg/m
3

Scalar Values scalar units
Scalar
Diffusivity
kg/m-s (for passive or general
scalar)
m
2
/s (for poisson scalar)
User Scalar Module
CFD-VIEW can post-process the solutions. When you activate the User Scalar Module, the scalar
fields can be seen with surface contours and analyzed through the use of point and line probes. A
complete list of post processing variables available as a result of using the Scalar Module is
shown in the table.
D_ScalarName Scalar Diffusion Coefficient kg/m-s
ScalarName Scalar Name -
The scalar flux summary written to the output file (modelname.out) is often used to determine
quantitative results. The scalar flux summary can also be used to judge the convergence of the
simulation. Due to the law of conservation of flux, the summation of all scalar flux into and out of
the computational domain should be zero (unless scalar sources or sinks are present). In the
simulation a summation of exactly zero is almost impossible, but you should see a summation
that is several orders of magnitude below the total scalar flux inflow.
182
User Scalar Module
183
User Scalar Module
How do I fix the value of my user scalar at a boundary?
Set the generalized boundary condition coefficients to:
a = 0, b = 1, c = desired value.
How do I fix the flux of my user scalar at a boundary?
Set the generalized boundary condition coefficients to:
a = 1, b = 0, c = desired flux.
User Scalar Module
References
Versteeg, H.K. and Malasekera, W., 1995, An Introduction to Computational Fluid Dynamics."
John Wiley & Sons Inc, New York, pp24.

Radiation Module
Radiation Module
Introduction
The Radiation Module enables you to solve radiation problems. Electromagnetic radiation is
emitted by all substances due to the changes in the internal molecular and atomic energy states.
The wavelength of electromagnetic radiation ranges from very long radio waves to very short
cosmic rays. The visible light is in a narrow range from 0.4 - 0.7 m and thermal radiation is in the
infrared range. One important difference between radiation and other modes of heat transfer is
that radiation does not require a medium as a carrier of energy. Also, for conductive and
convective modes of heat transfer, the energy transfer is a function of the temperature difference
between the substances. On the other hand, the radiant energy emitted by a substance is a
function of the fourth power of the absolute temperature. Thus, the radiative heat transfer
becomes dominant at high temperatures.
Radiation heat transfer is very important in semiconductor applications. Basic models for radiative
heat transfer, like surface-to-surface, can be solved fairly easily. However, the more complex
problems for semiconductor applications that involve participating media, specular radiation, and
thin film growth require much more complex methods such as the Discrete Ordinates Method
(DOM) and the Monte Carlo method. CFD-ACE+ supports all of these methods. You can opt for
one of the methods based on considerations of computational speed and accuracy. The
Radiation Module includes:
- Radiation-Applications
- Radiation-Features
- Radiation-Theory
- Radiation-Limitations
- Radiation-Implementation
- Radiation-Frequently Asked Questions
- Radiation-References
Radiation Module
Applications
Rapid Thermal Processing and Rapid Thermal Chemical Vapor Deposition are two important
applications of radiation heat transfer in semiconductor systems. Radiative heat transfer is used
to heat the wafers to enhance deposition rates in many chemical vapor deposition (CVD)
systems. The Radiation Module has automotive applications in climate control and underhood
cooling.
The Radiation Module can:
- Obtain surface temperatures of individual and stacked wafers
- Be used as a design tool to evaluate wafer temperatures and prevent damage to the
wafers during the manufacturing process
- Evaluate the change in growth rates of thin films with and without the effects of radiation
heating
184
Radiation Module
Radiation Module
Features
The Radiation Module has the following features:
- Surface-to-Surface
- Discrete Ordinate Method (with gray or non-gray properties)
- Three Monte-Carlo Methods
- P1 Method
Radiative heat transfer problems can be solved by using one of the above mentioned methods.
Even complex problems can be handled using this capability. Heat transfer through translucent
solids and interference by thin films are notable examples of the use of this module to simulate
complex problems.
Radiation-Theory
Radiation Module
Theory-Blackbody Radiation
A blackbody is a perfect emitter and absorber of radiation. Using quantum mechanical
arguments, it has been shown by Planck and later verified by experiments that the spectral
distribution of emissive power of a blackbody is given by (Azzam and Bashara, 1977):

(6-1)
where:

(6-2)
where:
h =
Plancks constant (6.6260755E-34
Jsec)
k =
Boltzmanns constant (1.380658E-23
J/K).
is the wavelength of radiation, T is the absolute temperature and c is the speed of light. The
above equation is independent of the nature of the material emitting radiation. The figure below
shows the blackbody emissive power as a function of wavelength for different absolute
temperatures. Two important observations can be made from this figure: (1) the energy emitted at
all wavelengths increases with temperature; (2) the peak spectral emissive power shifts toward a
smaller wavelength as the temperature increases. Wien derived a relationship for wavelength at
which maximum emissive power occurs, given by
185

(6-3)
which is called the Weins displacement law. Integrating equation 6-1 over all the wavelengths
results in the Stefan-Boltzmann law given by

(6-4)
where o is the Stefan-Boltzmann constant (5.669e-8 W/m
2
K
4
).

Spectral Emissive Power of a Blackbody at Different Temperatures (Siegel and Howell)
The Plancks spectral distribution gives the maximum intensity of radiation that any body can emit
in a vacuum at a given wavelength and temperature. The energy emitted in a wavelength band
required for the non-gray calculation is obtained by calculating the area under the Plancks curve.
The fractional energy emitted in a wavelength band can be obtained analytically using a series
approximation developed by Chang and Rhee:
186
Radiation Module

(6-5)
where:

(6-6)
Radiation Module
Theory-Radiation Properties
All real substances do not absorb or emit as blackbodies. The emissive power of an arbitrary
surface at temperature T to the hemispherical region above it is given by:

(6-7)
where c is the (hemispherical) emissivity of the surface which varies between 0 and 1. The
emissivity is in general a function of the material, condition of the surface (rough or polished), the
wavelength of the radiation and the temperature of the surface.
The monochromatic emissive power of a surface is given by:

(6-8)
where c
is called the monochromatic hemispherical emissivity. The emissivity and

monochromatic emissivity are related by the following equation:

(6-9)
When radiation is incident on a surface, some of the energy is absorbed, some of the energy is
reflected and some of the energy is transmitted. This behavior is characterized by: absorptivity
(o), defined as the fraction of incident energy that is absorbed; reflectivity (), defined as the
fraction of energy reflected; and transmissibility (t) defined as the fraction of energy transmitted.
Clearly, the sum of these quantities is unity, i.e.
187

(6-10)
For an opaque surface, the transmissivity is 0 and hence

(6-11)
Kirchhoffs law states that at thermal equilibrium, the emissivity of a surface is equal to the
absorptivity, i.e.

(6-12)
Combining the above two equations:

(6-13)
Radiation Module
Theory-Radiation Characteristics of Gases
The absorption and emission characteristics of gases depend on the thermodynamic state of the
gas. In general gases absorb and emit only in narrow wavelength bands and hence most of the
gases are not gray. Fortunately, many gases are relatively transparent to thermal radiation in
temperature ranges of common engineering problems, and their presence can be ignored (non-
participating media). However, certain gases (combustion products) participate in radiative
transport even at relatively low pressures and temperatures. The gases which have these low
temperature radiation characteristics are similar, in that the constituent molecules are non-
symmetric and polar. These gases include CO
2
, H
2
O, CO, SO
2
and many hydrocarbons.
Often, the data on radiative property of gases is presented in terms of emittance (c
g
). But the
absorption coefficient is needed to solve the radiative transfer equation. To obtain the absorption
coefficient from the emittance data, the following formula can be used:

(6-14)
where L
m
is the mean beam length which may be calculated (for optically thin gas radiating to its
entire boundary) as:

(6-15)
where V is the volume of the enclosure and A is the area of the boundaries.
Radiation Module
Theory-Radiative Transfer Equation (RTE)
The integro-differential radiative heat transfer equation for an emitting-absorbing and scattering
gray medium can be written as:
188
Radiation Module

(6-16)
where O is the direction of propagation of the radiation beam, I is the radiation intensity which is a
function of both position (r) and direction (O), k and o are the absorption and scattering
coefficients respectively, I
b
is the intensity of black body radiation at the temperature of the
medium and u is the phase function of the energy transfer from the incoming O direction to the
outgoing direction O. The term on the left hand side represents the gradient of the intensity in the
specified direction O. The three terms on the right hand side represent the changes in intensity
due to absorption and out-scattering, emission and in-scattering respectively. The heat transfer is
schematically shown below.

Radiative Heat Transfer in an Emitting-Absorbing and Scattering Gray Medium
The boundary condition for solving the above equation 6-16 may be written as:

(6-17)
where I is the intensity of radiant energy leaving a surface at a boundary location, c is the surface
emissivity, is the surface reflectivity, and n is the unit normal vector at the boundary location.
Theory-Solution Method
Radiation Module
Theory-Solution Method Introduction
A number of numerical techniques are available for solving the radiative transfer equation. The
following methods have been implemented in CFD-ACE+ for the solution of the radiative heat-
transfer equation. The Solution Method section includes:
189
- Solution Method-Surface-to-Surface
- Solution Method-Discrete Ordinate Method
- Solution Method-Monte-Carlo Method
- Solution Method-Monte Carlo Raytracing
- Solution Method-Patch Definitions
- Solution Method-Radiative Properties
Radiation Module
Theory-Solution Method-Surface-to-Surface Method
If the optical thickness of the participating medium is very thin the right hand side of equation 6-16
is zero. The solution technique is very similar to the YIX method (Tan and Howell, 1990).

(6-18)
The integral formulation of the above equation is:

(6-19)
where:

= the blackbody emission power
o = the Stefan-Boltzmann constant
q
s
, = the surface radiation flux

= the radiosity
n and n' are normal at r and r',
respectively

The kernel, K , is defined as:

where u is the visibility function defined as:

Equation 6-19 can be written as:
190
Radiation Module

(6-20)
where:
=
the location hit by the ray
emitted from r in the O
direction.

The angular integral on the right hand side of equation 6-20 can be replaced by numerical
quadrature of the form:

(6-21)
where u is the angle between the normal and O and M is the number of angular integration
points. Then the discrete form of equation 6-20 is:

(6-22)
where is the hit point of the ray emitted from in O
j

Solution Method-Discrete Ordinate Method
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Introduction
The Discrete Ordinate Method (Fiveland, 1988) has been implemented in CFD-ACE+ because it
is well suited for accurately predicting radiative heat transfer for most engineering applications.
In the discrete ordinate method, equation 6-16 and equation 6-17 are replaced by a discrete set
of equations for a finite (specified) number of ordinate directions. The integral terms on the right
hand side of equation 6-16 is approximated by a summation over each ordinate. The discrete-
ordinate equations may then be written as:

(6-23)
For the gray model, the subscript should be dropped from the above equation and AF becomes
unity. In the non-gray model, the radiative properties are assumed to be functions of wavelength
191
only. For strongly participating media such as combustion products, in addition to the wavelength
dependence, the radiative properties are functions of local temperature, pressure, and
composition of the gas. Hence, the radiative properties need to be calculated using either narrow-
band or wide-band models and they should be provided as input to this model.
This section includes:
- Discrete Ordinate Method-Wall Boundary
- Discrete Ordinate Method-Symmetry Boundary (specular reflection)
- Discrete Ordinate Method-Inlet and Exit Boundary
- Discrete Ordinate Method-Conjugate Heat Transfer
- Discrete Ordinate Method-AAQ Model
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Wall Boundary
For an adiabatic wall condition, the wall temperature is calculated by balancing the radiative and
conductive heat flux.

(6-24)

Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Symmetry Boundary (specular
reflection)

(6-25)
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Inlet and Exit Boundary

(6-26)
where T
i
is the cell center temperature adjacent to the boundary.
In the above equations, m and m' denote the outgoing and incoming directions, respectively. For
a direction m, w
m
represents the associated weight while o, |, and represent the direction
cosines corresponding to the x, y and z coordinates respectively. Equation 6-23 represents M
coupled partial differential equations for M intensities, I
m
.
In CFD-ACE+, the S
4
approximation, which considers 12 ordinate directions in two dimensions
(24 in three dimensions) was chosen. The selection of ordinate directions is not arbitrary but must
satisfy the symmetry and moment invariance constraints.
192
Radiation Module
The in-scattering term on the right hand side of equation 6-23 contains the phase function u
which is dependent on the medium. In CFD-ACE+, the medium is assumed to be linearly
anisotropic for which the phase function may be written as:

(6-27)
where a
o
is an asymmetry factor that lies between -1 and 1. The values -1, 0, 1 denote
backward, isotropic and forward scattering, respectively. In CFD-ACE+, the in-scattering term is
evaluated explicitly using the previous iteration values and hence the discrete-ordinate equations
are de-coupled and the equations are solved sequentially.
Equation 6-23 is numerically integrated over each control volume of the flow domain for each
ordinate direction m using techniques. (See Appendix C for details.)
Under conditions of local thermodynamic equilibrium, the net radiative heat source in a
computational cell is the difference between the energy absorbed and the energy emitted, given
by:

(6-28)
where is the volume of the cell. This source term is added to the discretized fluid enthalpy
equation. This source term will be zero for a non-participating medium k

= 0.
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Conjugate Heat Transfer
For conjugate heat transfer including radiation, the temperature of the gas-solid interface is
required to calculate the radiation intensity boundary condition. At the interface, the heat flux from
both sides must be continuous. i.e.

(6-29)
where K
g
and K
s
are thermal conductivities of the gas and solid, respectively. In discretized form,
the above equation may be written (for orthogonal grids) in terms of the interface temperature (T
i
)
as:

(6-30)
where:

(6-31)
and Q
rad
is the net radiative heat flux at the interface which is the difference between the radiative
energy absorbed and the energy emitted at the interface. The emission term in the above
193
equation is linearized to obtain a semi-implicit solution for the interface temperature. The net
gain/loss of heat due to absorption/emission is added as a source term to the energy equation on
both sides of the interface as:

(6-32)
For body-fitted-coordinate (BFC) grids, the approach is similar but includes non-orthogonal cross-
terms. For turbulent flows, the thermal conductivity of the gas in the above equation is replaced
by an effective thermal conductivity. The effective thermal conductivity is evaluated from wall
functions for turbulent momentum and thermal boundary layers.
At the interface between a transparent solid and gas, the above source terms are not included
because it is accounted by solving the discrete-ordinate equations in the transparent solid using
the appropriate absorption coefficient.
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-AAQ Model
The AAQ model provides a more conservative formulation in calculating the incidence radiative
flux on a wall for body-fitted coordinate geometries. In the discrete ordinate approach, intensities
are calculated along pre-selected directions. Each selected direction accounts for radiation within
a solid angle of W
i
which is the weighting factor for direction i.
When calculating the incident flux on a wall, even though the representative ray may be along the
incoming direction, some of the rays within the included solid angle may not be along the
incoming direction. To account for this, a correction factor is applied to the calculated incident
radiation flux. This correction factor is calculated based on the fact that the summation of the solid
angles associated with the incoming rays must add up to t.
Solution Method-Monte Carlo Method
Radiation Module
Theory-Solution Method-Monte Carlo Method
The Monte Carlo Method is considered one of the most accurate methods for the calculation of
radiative heat transfer. This is because of its ability to treat all directions of radiative transfer in a
continuous fashion (rather than along discrete directions, as in the Discrete Ordinates Method),
and its ability to account for strong oscillations in the spectral radiative properties. In addition, it is
the only method that can treat non-diffuse reflection from walls.
Although the Monte Carlo Method can be used to predict radiative transfer in any scenario, this
particular model was developed with the semiconductor material processing industry in mind.
Thus, its strength is best realized for Rapid Thermal Processing and Rapid Thermal Chemical
Vapor Deposition applications, and in general, for simulation of radiative heat transfer in
semiconductor processing applications.
In general, the radiative transfer equation can be solved using the Monte Carlo approach by
tracing photon bundles (or rays) through discrete control volumes, and by accounting for the
various events (absorption, emission and scattering) occurring within each control volume. Such
volumetric raytracing, however, is prohibitively expensive. Furthermore, thin films cannot be
modeled using this approach because thin films grown by CVD are often a few microns thick,
while the reactor dimensions are in the order of tens of centimeters. Typically, CVD reactors
operate at low pressure. Quite often, more than 80% of the gas mixture in the reactor is
comprised of an inert gas such as argon. Under these circumstances, it is justifiable to assume
194
Radiation Module
that the gas within the reactor is non-participating. In the absence of participating gases, the
energy of a ray remains unchanged as it passes through the gas and therefore, the solution to the
radiative transport equation reduces to energy exchange between surfaces. Participating solids
can be treated by invoking the McMahon approximation, and by lumping the effect of the solid
volumes to the surface (i.e., boundary conditions). The exchange of energy between the various
radiatively active surfaces (so called patches) may be described by the following equation:

(6-32)
where:

= Heat Flux (w)

= Heat Flux density (w/m
2
)

= Area (m
2
)

= Kronecker delta

= Emissivity of Patch j

=
Radiation exchange matrix (fraction of radiation emitted by patch i and
absorbed by patch j

= Stefan-Boltzmann constant (5.669 x 10
-8
W/m
2
k
4
)

= Average temperature of patch j (K)
Radiation Module
Theory-Solution Method-Monte Carlo Raytracing
In a Monte Carlo raytracing scheme, rays are emitted from a surface and traced until they are
absorbed by the same surface or any other surface. The emission, absorption, reflection or
refraction of the ray depends on the radiative properties of the surfaces on which the ray strikes,
and certain stochastic relations (see (Modest, 1993) and (Mazunder and Kersch, 2000)).
Radiation Module
Theory-Solution Method-Patch Definitions
In principle, it is possible to define each boundary cell face as a patch. This, however, leads to
two problems. The end result of Monte Carlo raytracing is the radiation exchange matrix R
ij
. This
matrix has a size N
p
X N
p
, which implies that for a simple problem involving 1000 boundary cell
faces, one would need to store 10
6
real numbers. This is prohibitive, and not feasible for practical
problems. The second problem is that some boundary cell faces may be extremely small. This
will results in collection of very few rays, if at all. The solution for these cells will, thus, be very
poor statistically. In order to circumvent this problem, boundary cell faces are grouped in to so-
called patches. A patch is a group of faces which have identical radiative properties, have
the same temperature, and can only consist of cell faces that are adjacent to each other.
From this definition, the following conclusion may be drawn, and should be kept in mind while
defining patches.
195
1. Two cell faces cannot be grouped together to form a patch if their radiative properties are
not the same, even if all the other criteria are met.
2. The cells that are grouped together to form a patch must be adjacent to each other. The
assumption is that the radiative heat flux on the patch is uniform on each of the cell faces
belonging to the patch, its value being the average flux. If two cell faces are not adjacent
and at completely different geometric locations, the radiative fluxes on them cannot be
equal because of different view factors associated with them, and the assumption of
uniform heat flux on them is, by definition, violated.
3. The third criteria is that the temperature in each of the cell faces belong to a given patch
must be the same. Isothermal walls fit this criteria without any problem. Other surfaces
(prescribed flux or conjugate surfaces) will not necessarily fit this criteria. The criteria can
be relaxed by assuming that the temperature on the cell faces is more or less uniform,
and is represented by an average temperature.
In the Monte Carlo Model, patches are created by specifying how many sub-patches each
boundary face should be divided into. The sub-patches are then created so as to be at
approximately equal number of cell faces. For example, if a user is performing MC calculations
for radiative heating of a wafer and is interested in heat flux distributions on the wafer, the wafer
surface should be divided into sub-patches sufficient to resolve the expected variation in heatflux.
The larger the area of a patch, the more rays it will collect, and the better will be the statistical
accuracy of the solution. Thus, while specifying more patches will resolve variations in heat flux, it
may result in poor solution accuracy unless the number of rays (and computational cost) is
increased as well. Successful use of the Monte Carlo module involves a careful compromise
between accuracy and computational effort.
Radiation Module
Theory-Solution Method-Radiative Properties
Since the Monte Carlo model performs high accuracy spectral radiation calculations, high
resolution spectral radiative properties are required to exploit the strength of the model. Such
property data is not always easy for the user to provide. To circumvent this problem, CFD-ACE+
computes spectral radiative properties of commonly prevalent materials from first principles
(using the theory of geometrical optics and electromagnetic radiation).
These computations employ the complex refractive index of the material in question. These
optical properties are stored in a database. Available materials are Silicon, Silicon Dioxide
(common window glass), Tungsten, and Liquid Water. In addition, for gray opaque surfaces, you
can specify the surface emissivity directly. For details on calculation of radiative properties of
surfaces, see (Azzam and Bashara, 1977) in References.
For optical properties of materials, see (Palik, 1985) in References.
Radiation Module
Theory-Solution Method-P1 Method
In this method, instead of directional discretization, it is assumed that the intensity can be
expanded as an infinite series of Legendre polynomials of increasing order. The idea is derived
from the fact that solution of an eigenvalue problem in spherical coordinates results in Legendre
polynomials as the eigenfunctions. The series, when substituted into the RTE and manipulated,
results in a set of coupled diffusion-like equations. When only the leading term in the series is
retained (i.e., N = 1 in the expansion), the result is a single Helmholtz equation, the
equation, which is written as:
196
Radiation Module

(1)
subject to the boundary condition:

(2)
where is the emissivity of the boundary surface having surface normal . The quantity
is also known as the spectral extinction coefficient. The quantity is known
as the spectral integrated intensity or incident radiation, and is defined as .
is the so-called blackbody emissive power. In deriving equation 1 from the
governing RTE, isotropic scattering has been assumed. Equation 1 is solved in
CFD-ACE+ using the standard finite-volume technique. The boundary condition shown in
equation 3, which is of the third kind, is implemented in a manner similar to Newton cooling
boundary conditions in the heat module.
Coupling to Overall Energy Equation
The divergence of the radiative heat flux appears as a sink in the overall energy transport
equation. Once has been obtained by solving equation 1, the divergence in the radiative heat
flux can be computed using the following relation:

(3)
where is the radiative heat flux vector. Of practical interest is also the radiative heat flux normal
to any surface. This may be written as

(4)

Treatment of Non-Gray Radiation: The Stepwise Gray Model
Equations 3 and 4 clearly suggest that calculation of the radiative heat flux and the source in the
energy equation requires solution of the RTE for all wavelengths followed by a spectral
integration.
In the case where radiation transport is assumed to be wavelength independent (or GRAY),
equation 1 is solved only once, in which is replaced by .
In the NON-GRAY case, special treatment of equation 1 is necessary. Integration of equation 1
over the entire spectrum yields
197

(5)
In the step-wise gray model, the spectrum is first split into discrete spectral intervals termed
bands. Within each band, , the radiative properties (i.e., , , ) are assumed to be
constant. Under this approximation, equation 5 may be re-written as a set of gray equations:

(6)
where and are the extinction and absorption coefficients of the -th band, respectively.
The total number of bands is denoted by . The quantities and represent the incident
radiation and blackbody emissive powers within the -th band, respectively. Following a similar
procedure, equations 3 and 4 may be written in discrete form as:

(7)
and

(8)
The equations represented by equation 6 are solved in CFD-ACE+ for the non-gray case, and
equations 7 and 9 are finally used to compute the net radiative heat fluxes.
Radiation Module
Limitations
The Surface-to-Surface model does not account for any participating medium, hence radiation
through semi-transparent solids cannot be handled. It does not work with cyclic boundary
conditions.
The Discrete Ordinate Method has problems with specular radiation. The ordinate set
implemented in the Radiation module is symmetric only about the x, y and z coordinate axes.
Therefore, the specular reflection boundary condition (used for symmetry) is accurately imposed
only for boundaries that are aligned with the coordinate axes. It is not very accurate for optically
thin media.
The spectral distribution is subdivided into a finite number of bands within which the properties
are assumed uniform. In actuality these properties are not uniform and this can lead to
inaccuracies. The radiative properties are also highly dependent on the wavelength of the light.
Since uniform properties are assumed in a spectral band this can also lead to inaccuracies in the
solution.
The Monte Carlo Method cannot treat radiative transfer through participating gases. It can only
treat participation in solids. Arbitrary interfaces work with Monte Carlo radiation only if they are
used at fluid-fluid boundaries. It does not support interfaces between two semitransparent solids.
Also, it is slow compared with the other radiation models in CFD-ACE+ and should be used only
for cases where its features are necessary. The Monte Carlo Method cannot be used with thin
walls.
198
Radiation Module
Radiation-Implementation
Radiation Module
The Implementation section describes how to setup a model for simulation using the Radiation
guidelines
- Model Setup and Solution - Describes the Radiation Module related inputs to the CFD-
ACE-Solver
Radiation Module
The Radiation Module can be applied to any geometric system (3D, 2D planar, or 2D
Radiation Module
CFD-ACE+ provides the inputs required for the Radiation Module. In addition, a
<modelname>.PATCH file is required to define the radiative properties of the various patches.
Model setup and solution requires data for the following panels:
- MC Model Requirements
- Problem Type
- Model Options
- Data
- Volume Conditions
- Solver Control
- Output
Radiation Module
Implementation-Model Setup and Solution-MC Model Requirements
The Monte Carlo model computes radiative properties from first principles. In addition, it also
allows surfaces of many different reflection characteristics (i.e. diffuse, specular, partially
specular). It can also account for coatings on surfaces. Thus, specifying radiative properties in
this model is not a simple matter of specifying emissivities and reflectivities.
Patch File
199
In the current setup, we employ a simple ASCII file to setup and input these properties. The file
must be named <modelname>.PATCH, and must reside in the working directory. See What do
the contents of a Patch File look like?.
Optical Database File
The substrate material name is used to fetch its optical properties. The properties stored in the
optical database are used to compute the complex refractive indices of materials as a function of
its temperature. See What is the Optical Database File?
Radiation Module
Type for details.
Select Radiation to activate the Radiation Module. The Radiation Module can work with any of the
other modules in CFD-ACE+.
The Heat Transfer Module is required to be activated whenever the Radiation Module is in use.
See Heat Transfer Module for details about the Heat Transfer Module.
Radiation Module
Options for details. The Model Options section includes:
- Model Options-Radiation (Rad)
- Model Options-Model Selection
Radiation Module
There are no settings under the Share tab that affect the Radiation Module. See Model Options
for details.
Radiation Module
Implementation-Model Setup and Solution-Model Options-Radiation(Rad)
All of the model options for the Radiation Module are located under the Radiation (Rad) tab.

Model Options Panel in Radiation Mode
200
Radiation Module
Radiation Module
Implementation-Model Setup and Solution-Model Options-Model Selection
In the pull-down menu, there are three options for you to choose a desired radiation model:
Discrete Ordinate Method (default), Surface to Surface, and Monte Carlo.
When you choose the Monte Carlo method, the panel changes as shown below. The number of
rays that you want to trace must be specified. The default is set at 100000. The accuracy of the
Monte Carlo solution is directly related to the number of rays you trace. A good rule of thumb is to
use 1000 rays per patch.

Model Options Panel in Monte Carlo Radiation Mode
The Monte Carlo raytracing, being an expensive calculation procedure, cannot be performed for
every iteration of the energy equation. Instead it is performed every hundred or so iterations. For
example, if you have set up a case for 500 iterations, it may be enough to perform 5 MC updates
during the whole run. This means that the Solution Skipping Frequency will be 100. This should
be prescribed in the next panel. In some cases, only one MC calculation may be sufficient. An
example would be a case where all boundaries are isothermal, and you are interested in the
radiative heat flux on the various surfaces. For transient problems, performing MC updates once
may also be a good option.
In CFD-ACE+ MC calculations are performed using two kinds of statistical formulations. The
Pseudo MC approach employs pseudo random numbers from a uniform deviate, while the Quasi
MC approach uses numbers drawn from the Halton sequence. The Quasi MC approach gives
slightly more accurate solutions for fewer number of rays, and is therefore, the default option.
However, it has some limitations -- it does not work well for cases involving a number of highly
reflective surfaces.
Model Setup and Solution-Data
Radiation Module
Implementation-Model Setup and Solution-Data-Introduction
When you select the Discrete Ordinate Method (DOM) or the Surface to Surface model, you must
specify the related radiative property data. Click the Define Radiation Model Data button or select
Radiation Models from the Models menu. The Radiation Model window appears.
201

Radiation Model Window
The radiation model window has tabs for each of the settings:
- Wavelengths
- Emissivity settings
- Transmissivity settings
- Absorption Coefficient settings
- Radiation Sources
The Model Setup and Solution Data Section includes:
- Data-Discrete Ordinate method (DOM)
- Data-Surface-to-Surface Method (STS)
- Data-Wavelengths
- Data-Emissivity Sets
- Data-Absorption Coefficient Sets
- Data-Radiation Sources
Radiation Module
Implementation-Model Setup and Solution-Data-Discrete Ordinate Method (DOM)
If you select the Discrete Ordinate Method, the Radiation Model window appears.
202
Radiation Module

Radiation Model Settings for DOM Method
You will be able to choose whether you want to use the DOM method in the gray (wavelength
independent properties) or non-gray (wavelength dependent properties) mode. If you activate
Non-Gray, you will be required to input the number of wavelength bands to be used for radiative
property specification. See Wavelengths for details on how to define the wavelength bands.
You will also be able to choose how many unique emissivity sets and absorption coefficient sets
to use for radiative property specification. Usually each unique surface in the simulation will
require a unique emissivity set and each unique solid or fluid volume will require a unique
absorption coefficient set. See Emissivity Sets and Absorption Coefficient Sets for details on
entering these radiative properties.
Radiation Module
Implementation-Model Setup and Solution-Data-Surface-to-Surface Method (STS)
If you select the Surface-to-Surface method, the Radiation Model window appears.
203

Radiation Model Window for STS Method
You will be able to choose the accuracy level of the method. The choices are; Low, Moderate,
High, and Extremely High. The default method is Moderate and is usually acceptable for most
simulations.
Each higher level of accuracy adds almost an order-of-magnitude to the computational time, while
the actual increase in solution accuracy may only be 10%. For this reason you should refrain from
increasing the accuracy setting unless absolutely necessary.
The Sub-iteration setting enables you to determine how many times the STS method is called for
each solver iteration. The default setting is 1 and is usually sufficient. In some cases, increasing
this value can increase the overall convergence rate of the simulation but it will not change the
solution.
The Environment Temperature setting is used if any of the surfaces can see outside of the
computational domain. This may happen if the domain is not closed, or some surfaces are
transparent, or some surface have their surface normal pointing outward. In any case, the
surfaces that can see outside of the computational domain will be exchanging radiative heat
transfer with a black body at the environment temperature. The default value is 300 K. If you want
no radiative exchange with the outside world then you can set the environment temperature to 0
K.
The Radiation Sources feature enables you to model point radiation sources. Once this feature
has been activated, you will be able to specify the number of radiation sources that are present. A
radiation source can be used to model solar radiation. See Radiation Sources for details on
inputting the radiation source parameters.
You can also choose how many unique emissivity sets and transmissivity sets to use for radiative
property specification. Usually each unique surface in the simulation will require a unique
204
Radiation Module
emissivity set and a unique transmissivity set. See Emissivity Sets and Radiation Sources for
details on entering these radiative properties.
Radiation Module
Implementation-Model Setup and Solution-Data-Wavelengths
If the Discrete Ordinate Method (DOM) has been selected and non-gray radiative properties has
been activated (see Discrete Ordinate Method), then the Wavelengths tab will become active.

Radiation Wavelengths Settings
The Wavelengths panel lets you define the wavelength bands (in m) that will be used for setting
non-gray radiative properties (see Emissivity Sets and Absorption Coefficient Sets for details on
the how to specify these properties). You will seen n+1 inputs, where n is the number of bands
(n) that you specified on the Model page. The first entry is always 0 microns, and the last entry is
always infinity. You define the bands by inputting the cutoff between each band. For example, the
inputs shown in the figure above will produce the following three bands:

Note: The number of bands (n) must represent the lowest common denominator of the non-gray
radiative properties needed for your particular simulation. This includes emissivity and absorption
coefficient properties. For example if you have several materials in your model and their
wavelength dependent emissivity and absorption coefficient values are as shown below you will
need four bands (even though no single wavelength dependent property requires more than three
bands).
205

Example of Non-Gray Property Banding
Data-Emissivity Sets
Radiation Module
Implementation-Model Setup and Solution-Data-Emissivity Sets-Introduction
Emissivity data is required for both the DOM and STS methods. The approach is slightly different
depending on whether the gray or non-gray property option is selected. The Data Emissivity Sets
section includes:
- Emissivity Sets-DOM (gray) and STS Methods
- Emissivity Sets-DOM (non-gray) Method
Radiation Module
Implementation-Model Setup and Solution-Data-Emissivity Sets-DOM (gray) and STS Methods
If you have not activated the non-gray option, the panel will appear for the STS method and for
the DOM method as:
206
Radiation Module

Radiation Window-Emissivity Settings for STS and DOM (gray) Methods
The Emissivity Set field allows you to select which emissivity sets properties are currently
displayed in the panel. The total number of emissivity sets was determined on the Model page
(see Discrete Ordinate Method (DOM)).
For each emissivity set, you may give a name and a value. The name will be used later when
assigning radiative properties to boundary conditions. See Boundary Conditions for details. The
value is the total hemispherical emissivity and must range between 0 and 1. Since this panel is
for gray property settings the emissivity value will be the same for all wavelengths (i.e., Band 1 =
0 - m).
Use material names for the set names. This will make it much easier to determine which set to
apply to each boundary condition.
Radiation Module
Implementation-Model Setup and Solution-Data-Emissivity Sets-DOM (non-gray) Method
If you are using the non-gray DOM method, the emissivity panel will look similar to that shown.
207

Radiation Model Window-Emissivity Settings for DOM (non-gray) Method
The Emissivity Set field enables you to select which emissivity sets properties are currently
displayed in the panel. The total number of emissivity sets was determined on the Model page
(see Discrete Ordinate Method (DOM)).
For each emissivity set, you may give a name and wavelength band dependent values. The
name will be used later when assigning radiative properties to boundary conditions (see
Boundary Conditions). The value is the total hemispherical emissivity and must range between 0
and 1.
Since this panel is for non-gray property settings the emissivity value may be different for each
wavelength band. The total number of bands was determined on the Model page (see Discrete
Ordinate Method (DOM)) and each bands wavelength range was determined on the
Wavelengths page (see Wavelengths).
apply to each boundary condition.
Data-Absorption Coefficient Sets
Radiation Module
Implementation-Model Setup and Solution-Data-Absorption Coefficient Sets-Introduction
Absorption Coefficient data is required for both the DOM and STS methods. For the STS method,
absorption coefficient is only used as a switch to determine if a volume condition is opaque or
transparent. For the DOM method, the absorption coefficient is used to determine if a volume
condition is opaque, transparent, or semi-transparent. The approach is slightly different
208
Radiation Module
depending on whether the gray or non-gray property option has been selected. The Absorption
Coefficients section includes:
- Absorption Coefficients-STS and DOM (gray) Method
- Absorption Coefficients-DOM (non-gray) Method
Radiation Module
Implementation-Model Setup and Solution-Data-Absorption Coefficient Sets-STS and DOM (gray)
The Radiation Model-Absorption Coefficient window appears for the STS method and for the
DOM method if the non-gray option is not activated.

Absorption Coefficient Settings for the DOM (gray) Method
The Absorption Coefficient Set field allows you to select which absorption coefficient sets
properties are currently displayed in the panel. The total number of absorption coefficient sets
was determined on the Model page (see Discrete Ordinate Method (DOM)).
For each absorption coefficient set, you may give a name and a value. The name will be used
later when assigning radiative properties to volume conditions (see Volume Conditions). For
transparent media the value will be 0, for semi-transparent media the value will be greater than 0,
and for opaque media the value should be set to -1. Since this panel is for gray property settings
the absorption coefficient value will be the same for all wavelengths (i.e., Band 1 = 0 - - m).
If the STS method is being used, then the only valid absorption coefficient settings are -1
(opaque) and 0 (transparent).
apply to each volume condition.
209
Radiation Module
Implementation-Model Setup and Solution-Data-Absorption Coefficient Sets-DOM (non-gray)
The Radiation Model-Absorption Coefficient window appears as below, if the non-gray DOM
method is activated.

Radiation Model Widow-Absorption Coefficient Settings for DOM (non-gray) Method
The Absorption Coefficient Set field enables you to select which absorption coefficient sets
properties are currently displayed in the panel. The total number of absorption coefficient sets
was determined on the Model page (see Discrete Ordinate Method (DOM) ).
For each absorption coefficient set, you may give a name and wavelength band dependent
values. The name will be used later when assigning radiative properties to volume conditions
(see Volume Conditions ). For transparent media the value will be 0, for semi-transparent media
the value will be greater than 0, and for opaque media the value should be set to -1.
Since this panel is for non-gray property settings the absorption coefficient value may be different
for each wavelength band. The total number of bands was determined on the Model page (see
Discrete Ordinate Method (DOM)) and each band's wavelength range was determined on the
Wavelengths page (see Wavelengths).
apply to each volume condition.
Radiation Module
Implementation-Model Setup and Solution-Data-Radiation Sources
You can use Radiation Source by the STS method to model the effects of any point source
radiation. This is most often used to model solar radiation effects. If you activated Radiation
210
Radiation Module
Sources in the Model panel (see Discrete Ordinate Method (DOM)), you will be able to press the
Radiation Sources tab to see a panel similar to that below.

Radiation Model Window-Radiation Sources Tab
The Radiation Sources field enables you to select the radiation sources properties that appear in
the panel. The total number of radiation sources was determined on the Model panel (see
Discrete Ordinate Method (DOM)).
For each radiation source, you need to give a direction and a intensity value. The direction is
specified by supplying a normal vector which states the direction from the radiation source to the
model origin. The radiation source itself is assumed to be located an infinite distance away from
the origin. The intensity value (W/m
2
) determines the intensity of the radiation source. (For solar
radiation the intensity is usually on the order of 700-800 W/m
2
).
The only way an external radiation source will see any of your computational boundaries is by
one of three situations; a surface boundary condition has its normal reversed to point outside of
the domain, a surface boundary condition is transparent, or the computational grid system is not
closed.
Radiation Module
Volume Conditions for details. Before any property values can be assigned, one or more volume
the VC Explorer.
For MC radiation method, there is no need to specify any volume condition. But for DOM and
STS models, there are two volume condition settings available; Absorption Coefficient Set and
Emissivity Set.
211
Absorption Coefficient Set
Once you have selected one or more volume conditions, you may select a previously defined
absorption coefficient set (see Absorption Coefficient Sets) to use for that volume condition. This
information is needed for both the Surface-to-Surface method and the Discrete Ordinate Method.
For the Surface-to-Surface method, the absorption coefficient data is only used to determine if the
material is opaque (absorption coefficient = -1) or transparent (absorption coefficient = 0).
Emissivity Set
You may also select a previously defined emissivity set (see Emissivity Sets) to use for the
volume conditions. The emissivity set is only applied to opaque/transparent or opaque/semi-
transparent volume condition interfaces. At these locations the emissivity set from the opaque
side will be used to determine the emissivity of the opaque surface.
Radiation Module
Click the Boundary Conditions [BC] tab to see the Boundary Condition Panel. See Control Panel-
All of the general boundary conditions for the Radiation Module are located under the Radiation
(Rad) tab and can be reached when the boundary condition setting mode is set to General. Each
boundary condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). See BC Type for details on
setting boundary condition types. This section will discuss the implementation of each type with
respect to the Radiation Module.
The Radiation Module handles boundary conditions slightly differently than most of the other
modules. Because radiation is a ray based phenomena, a radiation boundary condition must be
given for all of the computational boundaries in the model. This means that even inlets and
outlets must have radiation boundary conditions.
The Boundary Conditions section includes:
- Boundary Conditions-Emissivity Set
- Boundary Conditions-Transmissivity Set
- Boundary Conditions-Surface Normal
- Boundary Conditions-Farfield
- Boundary Conditions-Surface Property
- Boundary Conditions-Radiation Temperature
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Emissivity Set
The emissivity set setting enables you to specify which previously defined emissivity set (see
Emissivity Sets) should be used for the computational surface. This setting is available for both
the STS and DOM methods and is also available for all boundary conditions (except for symmetry
and interface).
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Transmissivity Set
212
Radiation Module
The transmissivity set setting enables you to specify which previously defined transmissivity set
(see Radiation Sources) should be used for the computational surface. This setting is only used
by the STS method.
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Surface Normal
The surface normal setting is used only by the STS method. If the surface normal is set to Inward,
then the computational boundary is exchanging radiative information with the interior (volume) of
the computational system. If the surface normal is set to Outward, then the computational
boundary is exchanging radiative information with the external environment. The temperature for
the external environment can be specified in the Radiation Model panel (see Discrete Ordinate
Method (DOM)).
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Farfield
This type of boundary condition is required only when the MC radiation method is selected and is
to allow external radiation, which is completely decoupled from conduction boundary conditions.
For example, it we wanted to simulate sunlight coming in through the roof, we can do that best by
using a farfield boundary condition. This would bring in radiation corresponding to the
temperature of the sun, but conduction fluxes would be based on a much lower (room)
temperature. If a farfield BC is not used in this case, one would have to prescribe a very high
temperature on the roof itself to simulate radiation by the sun. This will result is tremendous
conduction fluxes, resulting in undesirable heating of the room.
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Surface Property
This type of boundary condition is available only to MC method. You are required to specify a
string, representing a surface property type (or patch type). The string is then used to fetch the
actual radiative properties from a patch file, which must be named <modelname>.PATCH, and
must reside in the working directory. The contents of the patch file are described in MC Model
Requirements.
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Radiation Temperature
Radiation Temperature represents the radiation temperature of the boundary patch in question. It
is used only when MC radiation model is selected and it is necessary for two reasons. First, it
serves as the initial guess for property calculations (which are temperature dependent) and also
serves as the initial guess for the first MC calculation. After subsequent MC calculations, this
temperature is replaced by the average patch temperature that is calculated by solution of the
overall energy equation. The radiation temperature is also necessary for farfield boundary
conditions, in which case, it serves as the temperature of the farfield source, and is never
updated.
If a wall or rotating wall boundary condition has its heat transfer subtype set to adiabatic, then the
solver will force the net heat flux (conduction+convection+radiation) to zero.
On a symmetry boundary condition all heat flux values (radiation, conduction, and convection) are
forced to zero.
Radiation Module
213
There are no Initial Condition settings required by the Radiation Module.
Radiation Module
Implementation-Model Setup and Solution-Solver Control
Control for details.
The Solver Control page allows access to the various settings that control the numerical aspects
of the CFD-ACE-Solver and all of the output options.
There are no general numerical control settings required by the Radiation Module. There are
some controls (sub-iterations and accuracy) for the Surface-to-Surface model which are
accessible from the Radiation Model panel (see Surface-to-Surface Method (STS) for details.)
Radiation Module
There are no settings under the Output tab that affect the Radiation Module. See Control Panel-
Output Options for details.
Printed Output
Under the Printed tab, select the printed information to be written to the text based output file
(modelname.out). Activation of the Radiation Module allows output of a heat transfer summary in
addition to the general printed output options (see Printed Output for details on the general
printed output options including boundary condition integral output, diagnostics and monitor point
output).
The heat transfer summary will provide a tabulated list of the integrated heat transfer (J/s)
through each of the thermal boundary (walls, inlets, outlets, interfaces, etc.). This summary will
separate the heat transfer due to radiation and the heat transfer due to conduction/convection.
Graphical Output
VIEW. Activation of the Radiation Module allows output of the variables listed.
Radiation Module Related Graphical
Output
Variable Units
Radiative Wall Heat
Flux
W/m
2

Radiation Module
CFD-VIEW can post-process the solutions. When the Radiation Module is invoked, the
temperature field is usually of interest. The temperature field can be visualized with surface
contours and analyzed through the use of point and line probes.
The heat transfer summary written to the output file (modelname.out) is often used to determine
quantitative results. The heat transfer summary can also be used to judge the convergence of the
214
Radiation Module
simulation. Due to the law of energy conservation, the summation of all heat transfer into and out
of the computational domain should be zero (unless heat sources or sinks are present). In the
simulation a summation of exactly zero is almost impossible, but you should see a summation
that is several orders of magnitude below the total heat transfer into the system.
Radiation Module
Why do I have to specify absorption coefficient data for the Surface-to-Surface (STS)
method?
The absorption coefficient data is the mechanism used to tell the Radiation Module whether a
volume condition (fluid or solid) is transparent or opaque. If the Radiation Module sees a volume
condition with an absorption coefficient value of -1 then it knows that the volume condition is
opaque, likewise, if the value is 0 then it know that the material is transparent.
How do I decide how many patches I must set up for MC method?
The answer to this question is not straightforward. It depends primarily on what you are seeking.
In general if you need to resolve surface radiative fluxes, you need more patches on that surface.
This is a perfect analogy with using finer grids in regions where you want to resolve
gradients/scales in traditional CFD analysis. Remember, the larger the patches, the better the
statistical accuracy. So, do not use a large number of small patches, if they are not necessary for
what you are seeking. For example, if I am interested in the average transient response of a
wafer as it is heated, I will choose to make the whole wafer surface a single patch. On the other
hand, if I am interested in the center to edge nonuniformity in temperature of the wafer, I will set a
large number of patches on the wafer surface.
How many rays do I use in MC radiation model?
The number of rays to be used is determined by how many patches you have, whether you have
surfaces with strong non-gray properties, how many of these you have, the dimensionality of the
problem (2D/3D), and various other secondary factors. In general, for 2D 100,000 is a good
number and for 3D 1 million is reasonable, although in some cases larger numbers may be
necessary. At the higher end, the gain you will have by increasing number of rays will be very
minimal, i.e., when you increase number of rays from 10000 to 20000, your solution accuracy
may improve significantly, but when you increase by the same number from 1000000 to 1010000,
the solution may hardly change.
How many Monte Carlo updates should I use and how frequently should I use Monte Carlo
updates?
This depends on the problem at hand. If there are few non-isothermal patches, a couples of
updates my be sufficient. Typically, out experience has shown that a frequency of 100-200
iterations works best for steady state runs. For transient runs, one or two updates in each time-
step is typically sufficient, unless your time-steps are very large.
What do the contents of a Patch File look like?
In the current setup, we employ a simple ASCII file to setup and input these properties. The file
must be named <modelname>.PATCH, and must reside in the working directory. Its contents
look as follows:
WALL Name of surface property type
DUMMY Name of surface substrate material
SPECULAR Reflection Characteristic
GRAY Gray/Non-gray
215
0.15 Emissivity
---------------------------------------
WINDOW Name of surface property type
SIO2 Name of surface substrate material
DIFFUSE Reflection Characteristic
NONGRAY Gray/Nongray
ST Opaque/Semitransparent (only if Nongray)
UNCOATED Coated/Uncoated (only if Nongray)
This particular example contains two surface property types (or patch types), and explanations
are provided for each of the strings/numbers. In general the following guidelines are to be
followed while setting up a surface property type (or patch type).
Line 1: Name of Property type. Do not exceed 16 characters for the name. The name typed here
must be exactly the same (including cases of individual letters) as the one typed in the Surface
Property box under the BC/RAD tab. The string must be continuous (no blank spaces), and can
be any character available on a standard computer keyboard.
Line 2: Substrate Material Name. If the surface is gray and opaque, any name can be used (for
example DUMMY is used in the example above) because it is never used. If the surface is
Nongray/Semitransparent, this line must be filled with an appropriate material name. The optical
properties corresponding to this material name will then be fetched from ESI CFDs optical
database.
Line 3: Surface Reflection Characteristics. The options are SPECULAR, DIFFUSE and
PARTIALLY_SPECULAR. If PARTIALLY_SPECULAR is chosen, the next line must have a real
number representing the degree of specularity. For the other two options no other input is
necessary.
Line 4 (Line 5 if Line 3 has PARTIALLY_SPECULAR): Spectral Characteristic. Options are
GRAY and NONGRAY (or NON-GRAY). If GRAY the next line must have a real number,
representing the value of surface emissivity. The surface is assumed opaque in this case, as well.
The next few lines are required only for the NONGRAY option.
Line 5 (Line 6 if Line 3 has PARTIALLY_SPECULAR): Transparency Characteristics. This option
is only required for Nongray surfaces (for gray surfaces, opacity is assumed). The options are
OPAQUE or ST (or SEMI).
Line 6 (Line 7 if Line 3 has PARTIALLY_SPECULAR): Coating Characteristics. Options are
COATED or UNCOATED.
The next few lines are required only for COATED.
Line 7 (Line 8 if Line 3 has PARTIALLY_SPECULAR): Number of layers in coating (integer
input).
Line 8 (Line 9 if Line 3 has PARTIALLY_SPECULAR): Material name followed by a blank space
followed by the layer thickness in meters.eg. for a two-layered material, we have:
SIO2 1.0E-6
SILICON 4.0-7
Any line beginning with a dash (-) may be used as a separator between two surface property
definitions. Comments may be added to this line, if desired.
What is the Optical Database File?
216
Radiation Module
As mentioned earlier, the substrate material name is used to fetch its optical properties. The
properties stored in the optical database are used to compute the complex refractive indices of
materials as a function of its temperature. The refractive index of a material is written as:

(6-34)
where:

= complex refractive index
n =
real part of (refractive index)
k =
imaginary part of (absorption index)
i =

where n is the real part and k is the imaginary part of the refractive index. These indices are
curve-fitted for temperature as follows:

(6-35)
where
n = real part of refractive index
= coefficients for curve-fit
k =
non-dimensional temperature, (T -
300)/1000

(6-36)
where
k = imaginary part of refractive index

= coefficients for curve-fit
The optical database contains a file, listing n0 through n3 and k0 through k3 in the following
order:
n
0
n
1
n
2
n
3
k
0
k
1
k
2
k
3

for sixty different wave numbers. The wave numbers are selected according to the formula

(6-37)
where

= central wave number of i-th band (m
-1
)
C = 94.40608
217
This allows treatment of any radiation phenomenon between 300 and 5000K. The number sixty
stems from the fact that properties are not usually available at better resolution, and sixty was
deemed an adequate number.
In the event where the substrate material being used is not part of the optical database provided
by ESI CFD, the user would be required to input the n
0
through k
3
values in the form of an optical
file. This file must be named <modelname>.OPTIC, and must reside in the working directory. Its
format has already been described, and an example is shown below:

1 Number of Materials in File
TUNGSTEN Material Name
0.5 0.5 Irrelevant for ACEU, only for ACE
85.000 0.000 0.00 0.000 0.000E+00 0.999E+020 .000E+00
0.000E+00
n
0
through k
3
(sixty rows)

When is P1 Radiation appropriate?
218
Radiation Module
219
- The P1 model is invalid for non-participating medium. Mathematically, if goes to zero,
the left hand side of the P1 equation goes to infinity. Physically, in this model, radiation is
modeled as a diffusive process. This diffusion idea is valid only for optically intermediate-
thick situations. If the medium is optically very thin or non-participating, transport of
radiation is ballistic, and a diffusion model is invalid. CFD-ACE+ has been set up such
that the model will also produce results for non-participating medium (instead of giving
division by zero!). However, these results may not be always accurate.
- The P1 model is known to work best (see discussions in Radiative Heat Transfer, Second
Edition, Academic Press, M.F. Modest) in situations where the medium is hot and
strongly emitting/absorbing. In situations where the medium is cold and most of the
emission is from hot boundaries, the model is not very accurate. Thus, from an
application standpoint, the model is expected to be quite accurate for combustion
applications, but is not expected to be very accurate for applications in semiconductor
material processing, such as rapid thermal processing and rapid thermal chemical vapor
deposition.
- For cases in which the extinction coefficient, , is either too small or too large, the P1
equation is very stiff, and convergence will be slow, if at all attainable. The model
equation has best convergence properties for intermediate optical thickness or extinction
coefficient values.

Radiation Module
References
Azzam, R., and Bashara, N., Ellipsometry and Polarized Light. New York: Elsevier Noth-Holland,
1977.
Fiveland, W.A., Three Dimensional Radiative Heat-Transfer solutions by the Discrete Ordinates
Method. Journal of Thermophysics and Heat Transfer. 2.4 (Oct 1988): 209-316.
Mazunder, S., and Kersch, A., A Fast Monte Carlo Scheme for Thermal Radiation in
Semiconductor Processing Applications. Numerical Heat Transfer 37.B (2000): 185-199.
Modest, M.F., Radiative Heat Transfer. McGraw Hill, 1993.
Palik, E., Handbook of Optical Constants of Solids. New York: Academic Press, 1985.
Siegel R., and Howell, J.R., Thermal Radiation Heat Transfer. 2nd ed. New York: Hemisphere,
1981.
Tan A., Wang, D., Srinivasan, K., and Przekwas, A.J., Numerical Simulation of Coupled
Radiation and Convection for Complex Geometries." AIAA-98-2677, 1988.
Tan, Z., and Howell, J.R., New Numerical Method for Radiation Heat Transfer in
Nonhomogeneous Participating Media. AIAA J. Thermophys Heat Transfer 4 (1990): 419-
424.

Cavitation Module
Cavitation Module
Introduction
The Cavitation Module uses the full cavitation model (Singhal et al, 2001) (Athavale et al, 2000)
developed by ESI CFD. It allows multi-dimensional simulations of cavitating flows with phase
changes in low pressure regions. The model accounts for important effects such as bubble
dynamics, turbulence, and the presence and expansion of non-condensable gases in liquid.
In engineering flows, common performance indicators such as suction head, thrust, lift, and drag
are all functions of mass flow rate and pressure distribution. In many equipment engineering
considerations, increased noise level (due to cavitation) is also an acceptance/rejection criterion.
The Cavitation Module assists in answering three basic questions:
- Will cavitation occur in a given design?
- If cavitation is unavoidable, can the given design still function properly?
- If the given design is unsatisfactory, what are the ways to reduce or eliminate cavitation?
The cavitation model can predict performance parameters such as realistic distributions of
pressures, velocities and void fraction (i.e., volume fraction of vapor and non-condensable
gases). The Cavitation Module includes:
- Cavitation-Applications
- Cavitation-Features
- Cavitation-Theory
- Cavitation-Limitations
- Cavitation-Implementation
- Cavitation-Frequently Asked Questions
- Cavitation-References
Cavitation-Applications
Cavitation Module
Cavitation is a common problem for a myriad of engineering devices in which the main working
fluid is in a liquid state. Examples include turbo-pumps for rocket propulsion systems, industrial
turbo-machinery, hydrofoils, marine propellers, fuel injectors, hydrostatic bearings, shock
absorbers, and biomedical devices such as mechanical heart valves. The deleterious effects of
cavitation include:
- Lowered system performance
- Load asymmetry
- Erosion and pitting of solid surfaces
- Vibration and noise
- Reduction of the life of the machine as a whole
There are also some desirable applications of cavitation:
220
Cavitation Module
- Washing machines
- Surgical procedures using power cutting with ultrasonic energy
- Liquid-solid separators
- Removal of organic contaminants from water (using cavitation to purify water)
- Ultrasonic cleaning
The Cavitation Module Applications section includes:
- Cavitation-Automotive/Hydraulic Applications
- Cavitation-Turbomachinery Type Problems
- Cavitation-Hydrofoil Type Problems
Cavitation Module
Applications-Automotive/Hydraulic Applications
Both vane and gerotor oil pumps have been studied with CFD-ACE+. These simulations use the
Cavitation Module in conjunction with rotating/deforming grids (Deformation Module) to accurately
predict the pressure profiles and mass flow rates through the device.

Vane Oil Pump (4000 RPM) - Cavitation Inside Pumping Pockets
221

Vane Oil Pump (2000 RPM) - Pressure Profiles Without Cavitation Model (left) and With
Cavitation Model (right)

Effect of Cavitation on Volume Flow Rate
The model has also been used to solve for cavitating flow in a gerotor oil pump as shown below.
222
Cavitation Module

Cavitation Inside Pumping Pockets (5000 RPM) of a Gerotor
Cavitation Module
Applications-Turbomachinery Problems
Turbomachinery applications also often require the use of the Cavitation Module. The figure
below shows results for an axial flow water pump. The second figure shows results for a
centrifugal pump.
223

Axial Water Pump Results
224
Cavitation Module

Centrifugal Pumps
Cavitation Module
Applications-Hydrofoil Problems
The Cavitation Module has been validated with numerous problems. Shown below are the results
of a 2D hydrofoil simulation along with comparison to experimental data.
225

2D Hydrofoil Simulation

Cavitation Module
Features
Numerical simulation of cavitation flows poses unique challenges both in modeling the physics
and in developing a robust numerical methodology. Computational Fluid Dynamics (CFD)
analysis is complicated by the large density changes associated with phase change. For
example, the ratio of liquid to vapor densities for water at room temperature is over 40,000.
Typical density variations in engineering flows are indicated below.
Density Ratios in Engineering Flows
Flow Type
max
/
min

Buoyant Flows ~ 1
Transonic Flows ~ 2
Supersonic Flows ~ 10
Reacting Flows ~ 20
226
Cavitation Module
Boiling/Condensating Flows ~ 200
Cavitating Flows ~ 10,000
The location, the extent, and the type of cavitation are strongly dependent on the pressure field,
which is strongly influenced by geometric detail and the motion of liquid and vapor phases. The
cavitation region is also influenced significantly by turbulence and presence of non-condensable
gases. The current model does not require an a priori prescription (or assumption) of the location
or type of cavitating region. Likewise, the phase change correlations have minimal empiricism;
therefore, various flow conditions can be simulated without adjusting any constants or functions.
The present model can be used to simulate flows with:
- Large liquid/vapor density ratios (~50,000)
- Highly turbulent conditions (due to high pressures, high mass flow rates, or high rotation
speeds) and,
- Non-condensable gases (e.g., Air, N2, or He) dissolved in or mixed within the liquid.
The model development has been guided by observations from:
- A large number of numerical investigations with various cavitation models used or
developed at ESI CFD over the past several years;
- A large number of experimental investigations and flow visualization studies presented in
international conferences and reported in literature.
Cavitation-Theory
Cavitation Module
Theory-Introduction
The basic approach is to use standard viscous flow (Navier-Stokes) equations with provisions for
variable density and a conventional turbulence model, such as K-c model. The mixture density ()
is a function of vapor mass fraction (f), which is computed by solving a transport equation
simultaneously with the mass and momentum conservation equations. The -f relationship is:

(7-1)
where
v
and
l
represent the vapor and liquid densities, respectively. In two-phase flows, the use
of vapor volume fraction (o) is also quite common. Therefore, when necessary, it is deduced from
f as follows:

(7-2)
The Cavitation Module Theory section includes:
- Cavitation-Theory-Vapor Transport Equations
- Cavitation-Theory-Effect of Turbulence
- Cavitation-Theory-Effect of Non-Condensable Gases
227
Cavitation Module
Theory-Vapor Transport Equations
The vapor transport equation is:

(7-3)
where, is the velocity vector, I is the effective exchange coefficient, and R is the rate of phase
change. The evaporation phase (bubble generation and expansion) is denoted by R
e
, and the
condensation (bubble reduction and collapse) phase is denoted by R
c
. The expressions of R
e
and
R
c
have been derived from the reduced form of the Rayleigh-Plesset equation (Brennen, 1995),
which describes the dynamics of a single bubble in an infinite liquid domain. We have assumed
that in most of the engineering flows there are plenty of nuclei for the inception of cavitation. Thus
our primary focus has been on proper account of bubble growth and collapse.
The final expressions for R
e
and R
c
are:

(7-4)

(7-5)
where:
C
e
,
C
c

= phase change rate coefficients
o = surface tension of the saturated liquid
V
ch
= characteristic velocity
p
sat
= saturation pressure
The phase change rate coefficients are available as user inputs. The default values are C
e
= 0.02,
and C
c
= 0.01. These values have been determined after considerable numerical experimentation
over a wide range of flow conditions, for orifice and hydrofoil flows. These values should not be
changed without consultation with ESI CFD Technical Support. The only exception is that C
e
and
C
c
may both be set to 0.0 to remove phase change effects from the cavitation model.
As discussed in Reference 1, V
ch
is approximated by the local turbulence intensity, i.e.,
. For accounting for laminar or low turbulence conditions the minimum value V
ch
is set
to 1.0.
Cavitation Module
Theory-Effect of Turbulence
Most engineering flows are turbulent. Furthermore, cavitation normally takes place in the vicinity
of low pressure (or locally high velocity) regions, where turbulence effects are quite significant. In
particular, turbulent pressure fluctuations have significant effect on cavitating flows. This has
been reported by many experimental investigations (Keller, 1997), (Stoffel, 1995), (Bordelon,
1995). The present model accounts for this effect by modifying the phase change rates, as
228
Cavitation Module
described in Singhal, 1995. The magnitude of pressure fluctuations is estimated by using the
following empirical correlation from the literature: (Hinze, 1975):

(7-6)
Here and k are local density and turbulence kinetic energy.
The saturation pressure (p
sat
) takes the value of a liquids saturation pressure p
s
(T) in the laminar
regime, while for turbulent flow:

(7-7)
Cavitation Module
Theory-Effect of Non-Condensable Gases
Cavitating flows are sensitive to the presence of non-condensable gases (Reisman et al, 1997),
(Watanabe, 1994), (Rood, 1997). In most liquids, there is a small amount of non-condensable
gases present in a dissolved and/or mixed state. For example, laboratory water generally has 15
ppm air dissolved in it. In other applications, e.g., marine propellers, etc., this amount may be
considerably larger. In high speed rotational flows, there can be small leaks (ingestion of gases).
In the present model, the non-condensable gas is included by prescribing an estimated mass
fraction at inlets. This value is held constant throughout the calculation domain. However, the
corresponding density (and hence volume fraction) varies significantly with local pressure. The
perfect gas law is used to account for the expansion (or compressibility) of gas; i.e.:

(7-8)
Where W is the molecular weight, P is fluid pressure, R is the universal gas constant, and T is
fluid temperature. Out of these, W, R, and T are constant prescribed inputs.
The calculation of mixture density (equation 7-1) is modified as:

(7-9)
Where suffixes v, g, and l refer to vapor, gas, and liquid phases. Correspondingly, we have the
following expression for the volume fractions of vapor (o
v
) and gas (o
g
):

(7-10)

(7-11)
and:

(7-12)
229
The combined volume fraction of vapor and gas (i.e., o
v
+ o
g
) is referred to as the Void Fraction
(o).In practical applications, for qualitative assessment of the extent and location of cavitation,
contour maps of void fraction (o) are important.
Cavitation Module
Limitations
The following are a few limitations in the Cavitation Module. These limitations may be removed in
future releases of CFD-ACE+.
Fluid Properties
There is no provision for automatically calculating the fluid properties as a function of
temperature. Therefore, you must specify the liquid saturation pressure and vapor density, which
depend on the operation temperature, and these will remain constant for the simulation. You must
also specify the surface tension. All of the default values are for water at 300 K.
Activating Cavitation
Activating the Cavitation Module means that all fluid volume regions in the simulation will use the
Cavitation Module.
Isothermal Assumption
The Cavitation Module assumes that the flow is isothermal. For this reason, activation of the Heat
Transfer Module is not allowed.
Modules Not Supported
The Cavitation Module has not been tested with the following modules:
- Heat Transfer
- Chemistry
- Two-Fluid
- Spray
- Free Surfaces (VOF)
Cavitation-Implementation
Cavitation Module
The Implementation section describes how to set up a model for simulation using the Cavitation
guidelines
- Model Setup and Solution - Describes the Cavitation Module related inputs to the CFD-
ACE-Solver
Cavitation Module
230
Cavitation Module
The Cavitation Module can be applied to any geometric system (3D, 2D planar, or 2D
axisymmetric). Furthermore all grid cell types are supported (quadrilateral, triangle, hexahedral,
tetrahedral, prism, and polyhedral).
boundaries in areas where boundary values are well known. Sufficient grid density should be
placed in regions where cavitation is expected to occur. A general rule is to have at least five cells
in the cavitation region.
Cavitation Module
CFD-ACE+ provides the inputs required for the Cavitation Module. Model setup and solution
- Problem Type
- Model Options
- Volume Conditions
- Solver Control
- Output
Cavitation Module
Type for details.
Select Cavitation to activate the Cavitation Module. The Flow Module is also required when the
Cavitation Module is activated. The concurrent use of the Turbulence, Grid Deformation, and/or
Stress modules are fully supported.
The Heat Transfer module cannot be activated because of the assumption of isothermal flows. It
follows then that the Radiation module is not allowed either.
Use of the Chemistry, Two-Fluid, Spray, or Free Surfaces (VOF) modules have not been fully
tested in conjunction with the Cavitation module.
Cavitation Module
Options for details. All of the model options for the Cavitation Module are located under the
Cavitation (Cav) tab. The Model Options section includes:
- Model Options-Cavitation (Cav)
- Model Options-Liquid
- Model Options-on-Condensable Gas Concentration
231
- Model Options-Phase Change Coefficients
Cavitation Module
There are no settings under the Shared tab affect the Cavitation Module. (See Control Panel-
Model Options for details.)
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Cavitation (Cav)
All of the model options for the Cavitation Module are located under the Cavitation (Cav)).

Model Options Panel in Cavitation Module Mode
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Liquid
In the Liquid region, you are required to provide the operating temperature (K) for the simulation,
and the surface tension (N/m) for the liquid. The value that is supplied for operating temperature
will be used for all boundary conditions and initial conditions. The default surface tension value is
0.0717 N/m which is the value for water at 300 K.
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Non-Condensable Gas
Concentration
You may pick the non-condensable gas present in the working fluid. The choices are Air, Helium,
Nitrogen, and User Specify. By choosing anything other than user specify, CFD-ACE+ will lookup
the molecular weight of the gas. If your non-condensable gas is not listed then you may select
User Specify and enter a name for the gas as well as its molecular weight. The molecular weight
specified here will be used as shown in equation 7-8.
232
Cavitation Module
The mass fraction of non-condensable gas present in the working fluid must also be specified.
The default value is 1.5e-5, which is typical for laboratory water.
It should be noted that the presence of non-condensable gases in liquids is a reality. Even a small
amount, e.g., 15 ppm has significant effect on both the physical realism and the convergence
characteristics of the solution. The temptations of prescribing zero mass fraction of non-
condensable gas should be avoided. For many practical problems, e.g., aerated fluids, equipment
with air leakage (suction), etc., higher mass fractions of air may lead to more realistic (accurate)
results.
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Phase Change Coefficients
The phase change rate coefficients (C
e
and C
c
) can be specified here. These coefficients are
used as described in equation 7-4 and equation 7-5. The default values are C
e
= 0.02, and C
c
=
0.01. These values have been determined after considerable numerical experimentation over a
wide range of flow conditions, for orifice and hydrofoil flows. These values should not be changed
without consulting ESI CFD Technical Support. The only exception is that C
e
and C
c
may both be
set to 0.0 to remove phase change effects from the cavitation model if so desired.
Cavitation Module
Click the Volume Conditions [VC] tab to see the Volume Conditions Panel. See Control Panel-
Volume Conditions for details. Before any property value can be assigned, one or more volume
the VC Explorer.
With the volume condition setting mode set to Properties select any fluid volume conditions and
ensure that the volume condition type is set to Fluid. Only volume conditions that are of type Fluid
need to have Cavitation Module properties specified (since there is no flow in solid or blocked
regions there are no Cavitation Module properties for those regions.)
Because activation of the Cavitation Module is currently a global operation, all Fluid volume
condition regions in the simulation should have the same volume condition settings.
When performing simulations with the Cavitation Module, the fluid density evaluation method
must be set to Cavitation Model for all of the fluid volume conditions. Once the density evaluation
method has been set to Cavitation Model an input panel appears.

Volume Condition Inputs for Cavitation Module
233
You are required to provide fluid properties (absolute saturation pressure, liquid phase density,
and vapor phase density) at the current operating temperature. The default values correspond to
the properties of water at 300 K. These properties should be evaluated at the operating
temperature which was specified in the Cavitation Model Options area (see Model Options
Settings).
Cavitation Module
Implementation-Model Setup and Solution-Boundary Conditions
There are no boundary condition parameters required for the Cavitation Module. The Cavitation
Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary conditions.
See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions, or Arbitrary Interface Boundary
Conditions for details on these types of boundary conditions and instructions for how to
implement them.
Most simulations will use fixed total pressure inlets and fixed static pressure outlets (see
Boundary Conditions). If solution start-up problems are encountered you may want to try starting
with a fixed velocity inlet to give sensible limits to the velocities, pressure, density, and turbulence
quantities and later switching to a fixed total pressure inlet. See Variable Limits.
In many applications, the cavitation region extends up to the outlet. The common practice of
prescribing uniform exit pressure may result into some numerical effects, e.g., pseudo shocks
near exit, and some inaccuracy in the computed mass flow rate. In spite of this inaccuracy, you
can still study the relative effects of other engineering (geometry and operating flow conditions)
parameters. However, to improve the accuracy, it is recommended to extend the calculation
domain to locate the outlet boundary condition further downstream such that there is no cavitation
region crossing the outlet.
Cavitation Module
There are no special initial condition settings needed for the Cavitation Module. The vapor
fraction will be initialized as zero everywhere.
In difficult cavitation cases it may be beneficial to obtain a nearly converged solution with an
increased level of non-condensable gas present (say a mass fraction of 5.0e-5) and then restart
from that solution with the desired non-condensable gas mass fraction. See Control Panel-Initial
Conditions for details on how to restart a simulation. You may also try to set C
r
, C
e
, and the non-
condensable gas level to zero to obtain a realistic pressure field, and then restart from the
solution with the default C
e
and C
v
, and the desired non-condensable gas level.
Cavitation Module
Click the Solver Control [SC] tab to see the Solver Control Panel. The Solver Control panel
provides access to the settings that control the numerical aspects of the CFD-ACE-Solver and the
output options. The Solver Control section includes:
- Solver Control-Variables Limits
Cavitation Module
234
Cavitation Module
terms in the equations. Activating the Cavitation Module enables you to set the cavitation vapor
fraction calculation. The default method is first order Upwind. See Spatial Differencing Scheme
for more information on the different differencing schemes available. Also see Discretization for
numerical details of the differencing schemes.
Cavitation Module
Under the Solvers tab you may select the linear equation solver to be used for each set of
equations. Activating the Cavitation Module enables you to set the cavitation vapor fraction
equation. The default linear equation solver is the conjugate gradient squared + preconditioning
(CGS+Pre) solver with 500 sweeps and a convergence criteria of 0.0001. Since the mass vapor
fraction typically in the range of 0 - 10
-5
, it may be beneficial to set the value of the convergence
criteria to a much smaller number, perhaps 10
-10
or 10
-14
. See Control Panel-Solver Selection for
more information on the different linear equation solvers available. See Numerical Methods-
Linear Equation Solvers for numerical details of the linear equation solvers.
Cavitation Module
Under the Relaxation tab, select the amount of under-relaxation to be applied for the dependent
(solved) variable used for the cavitation vapor fraction equation. See Under Relaxation
Parameters for details on the mechanics of setting the under relaxation values. See Under
Relaxation for numerical details of how under-relaxation is applied.
The cavitation vapor fraction equation uses an inertial under relaxation scheme and the default
value is 0.8. Increasing this value applies more under relaxation and therefore adds stability to
the solution at the cost of slower convergence.
Cavitation Module
Settings for minimum and maximum allowed variable values can be found under the Limits tab.
CFD-ACE+ ensures that the value of any given variable will always remain within these limits by
clamping the value. Activating the Cavitation Module enables you to set the cavitation vapor
fraction. See Variable Limits for details on how limits are applied.
The default min/max for the cavitation vapor fraction is 0 and 1 respectively. These limits should
never need to be changed.
Cavitation Module
There are no settings under the Output tab that affect the Cavitation Module. See Control Panel-
Output Options for details.
Printed Output
There are no settings under the Print tab that effect the Cavitation Module. See Control Panel-
Printed Output for details on the general printed output options including boundary condition
integral output, diagnostics and monitor point output.
235
Graphical Output
Under the Graphics tab, you may select the variables to output to the graphics file
VIEW. Activating the Cavitation Module allows output of the variables listed:
Cavitation Module Graphical Output
Variable Units
Total Void Fraction
(o = o
v
+ o
g
)
-
Cavitation Module
CFD-VIEW can post-process the solutions. When you activate the Cavitation Module, the
pressure and void fraction fields can be visualized with surface contours and analyzed through
the use of point and line probes. Viewing the void fraction is the most direct indication of the size
and shape of cavitating regions in the flow field. The computed mass flow rate and surface
pressure distributions are useful for quantitatively assessing performance. A list of Cavitation
Module post processing variables is shown below.
Post-Processing Variables
MassFr Vapor Mass fraction -
Total_Volume_Fraction
Total volume fraction (Void
Fraction)
-
Vapor_Volume_Fraction Vapor volume fraction -
Cavitation Module
How do I invoke cavitation without phase change (i.e. to simulate effects of mixed non-
condensable gas only)?
By setting the phase change rate coefficients (C
e
and C
c
) to 0.0 (see Phase Change Coefficients)
you will not allow phase change (see equation 7-4 and equation 7-5). When this is done the fluid
volume condition density evaluation method should still be set to Cavitation Model and the inputs
for saturation pressure and vapor phase density will be ignored.
Cavitation Module
References
236
Cavitation Module
237
Athavale, M.M., Li, H.Y., Singhal, A.K., Application of the Full Cavitation Model to Pumps and
Inducers, 8th International Symposium on Transport Phenomena and Dynamics of Rotation
Machinery. (ISROMAC-8), Honolulu, HI, March 2000.
Bordelon, Jr., W.J., Gaddis, S.W., and Nesman, T.E., Cavitation Environment of the Alternate
High Pressure Oxygen Turbopump Inducer. ASME Fluids Engineering Conference, Hilton
Head, SC, 1995.
Brennen, C.E., Cavitation and Bubble Dynamics." Oxford University Press, 1995.
Hinze, J.O., Turbulence. McGraw Hill, 2nd Edition, 1975.
Keller, A.P. and Rott, H.K., The Effect of Flow Turbulence on Cavitation Inception. ASME FED
Summer Meeting, Vancouver, Canada, 1997.
Reisman, G., Duttweiler, and Brennen, C., Effect of Air Injection on the Cloud Cavitation of a
Hydrofoil. ASME FED Summer Meeting, Vancouver, Canada, 1997.
Rood, E.P., Critical Pressure Scaling of Schiebe Headform Traveling Bubble Cavitation
Inception." ASME FED Summer Meeting, Vancouver, Canada, 1997.
Singhal, A.K., Li, H.Y., Athavale, M.M., and Jiang, Y., Mathematical Basis and Validation of the
Full Cavitation Model. Proceedings of ASME FEDSM, 2001.
Stoffel, B., and Schuller, W., Investigations Concerning the Influence of Pressure Distribution
and Cavity Length on Hydrodynamic Cavitation Intensity. ASME Fluid Engineering
Conference, Hilton Head, SC, 1995.
Watanabe, M. and Prosperetti, A., The Effect of Gas Diffusion on the Nuclei Population
Downstream of a Cavitation Zone." ASME FED Vol 190, Cavitation and Gas Liquid Flow in
Fluid Machinery and Devices, 1994.

Grid Deformation Module
Introduction
The Grid Deformation Module is used by the CFD-ACE-Solver to allow for moving/deforming grid
problems. This module is often coupled with the Stress Module to perform full fluid structures
interaction problems. The Grid Deformation Module can also impose a known grid deformation for
time-dependent moving grid problems. The Grid Deformation Module includes:
- Grid Deformation-Applications
- Grid Deformation-Features
- Grid Deformation-Limitations
- Grid Deformation-Implementation
- Grid Deformation-Frequently Asked Questions
Grid Deformation-Applications
The Grid Deformation Module simulates fluid flow (gas or liquid) problems where some or all of
the boundaries may be in motion. The Grid Deformation Applications section includes:
- Applications-Fluid-Structures Interaction Problems
- Applications-Simple Prescribed Motion
- Applications-User Defined Motion
Applications-Fluid-Structures Interaction Problems
One of the most common uses for the Grid Deformation module is the coupling of the Flow and
Stress Modules to perform a fluid structure interaction simulation. In this type of problem, the Grid
Deformation Module controls the grid deformation in the fluid regions of the simulation. The
Stress Module actually controls the deformation in the solid regions.
Applications-Simple Prescribed Motion
The Grid Deformation Module can perform relatively simple deformation problems. If the
boundary motion consists of translation or rotation that can be described by a mathematical
expression, then the inputs in CFD-ACE+ will allow the problem to be setup and run directly from
CFD-ACE+. For more complex motions, use the user subroutine udeform_bc to define motion for
boundaries.
Applications-User Defined Motion
For more complex grid deformation problems, use the UGRID user subroutine to gain total control
of the grid deformation and perform very complex deformation problems.
238
Grid Deformation-Features
Features-Introduction
The Grid Deformation Module controls the grid deformation in one or both of two ways: automatic
remeshing and user defined remeshing. The Grid Deformation Features section includes:
- Features-Automatic Remeshing
- Features-User Defined Remeshing
Features-Automatic Remeshing
Automatic Remeshing means that the Grid Deformation Module will automatically remesh the
interiors of any structured grid volume conditions whose boundaries are moving. This only applies
to structured grid regions of the model. The automatic remeshing feature uses a standard
transfinite interpolation (TFI) scheme to determine the interior node distribution based on the
motion of the boundary nodes.
Features-Automatic Re-meshing
Transfinite Interpolation Scheme
This method uses a standard transfinite interpolation (TFI) scheme to determine the interior node
distribution based on the motion of the boundary nodes. This scheme is only available for
structured zones. It cannot be applied to composited domains. This must be addressed when
building the grid; each zone should only contain one volume condition. It cannot be applied to
domains containing cyclic boundary conditions.

Features-Automatic Re-meshing
Solid-body Elasticity Analogy
This method is based on the solution of the equations of linear elasticity. The re-meshing problem
is posed as follows: given the set of displacements on the boundaries of a domain, calculate the
resulting displacements (and thus mesh movements) of the interior nodes.
The linear elastic equations are derived from a force balance between internal stresses and
external forces. These equations may be expressed in terms of displacement as [1]:
(8-1)

Where ui is the ith component of displacement, fi is the ith component of the body force, and
and are the Lame constants, expressed in terms of material properties as:
(8-2)

239
(8-3)

In equations 8-2 and 8-3, is the modulus of elasticity and is Poissons ratio. For this application, is
set to zero to simplify the equations and reduce the cross-equation coupling. Also, the body force
is zero since all the displacement results from the specified boundary node displacements. This
results in the following equation governing the displacements of the interior nodes.
(8-4)

This equation is solved using finite element formulation. The simple nature of the equation results
in a much faster assemble time than standard structural mechanics solvers. Also, with
displacement fixed on all or most of the boundaries, the solution is tied down very well and can be
solved very quickly using an alternative solver such as the conjugate gradient solver.
Finite Element Solution
Equation 8-4 is solved using a standard Galerkin formulation [2], which can be expressed as
(8-5)

Where is the shape function for node o and V is the volume. Integrating by parts and collecting
terms gives the following equation:
(8-6)

For the re-meshing problem, the displacement will be specified on the surface and thus the area
integral in the above equation, which represents a traction boundary condition, can safely be
removed. The internal displacements are interpolated from the nodal displacements using the
shape functions:
(8-7)

Where is the jth component of displacement at node |. This results in the following equation for
nodal displacements:
(8-8)

where
(8-9)

and is the Kronecker delta.
The value of E need not be constant over the entire domain, and in fact can be used to provide
extra stiffness in regions of the domain where it is needed. Currently, E is a nonlinear function of
the element volume.
Following are the advantages over TFI scheme
240
- This scheme applies to both structured and unstructured grids(Tetrahedrals, Prisms,
and Pyramids).
- It can be applied to composited zones.
Following are some of the known limitations of this scheme.
- Computationally (memory and time) expensive compared to TFI. It is more
economical to use TFI if applicable.
- Polyhedral grid cells are not supported.
- The scheme cannot be used in parallel processing due to limitations of the stress
solver.

Features-User Defined Remeshing
User defined re-meshing enables you to use the user subroutine UGRID to manually control all of
the grid deformation for a given zone. Use this method for structured and unstructured regions for
the model. For this, motion must be specified for all the nodes inside the user specified zone. You
can use your own re-meshing schemes.
Limitations
- The Grid Deformation Module can currently only handle automatic remeshing of
structured zones.
- Composited zones into single zones is not allowed when Grid Deformation is selected.
This must be addressed when building geometry: each zone should contain only one
volume condition.
- The Grid Deformation Module does not work if the corresponding zone contains cyclic
boundary conditions.
- The Grid Deformation Module cannot handle composite blocks.
- For cases that involve multiple moving boundaries and TFI, each zone must be created
using 4 sides in 2D or 6 sides in 3D. Figure 1 and Figure 2 below compare the two
gridding options, one that will not work with multiple moving boundaries and one that will.

Grid Deformation-Implementation
241
The Implementation section describes how to setup a model for simulation with the Grid
Deformation Module. The Grid Deformation Implementation section includes:
guidelines
- Model Setup and Solution - Describes the Grid Deformation Module related inputs to the
CFD-ACE-Solver
- Specialized Point Constraint - Describes how to generate an initial grid for simulating
mesh deformations related to CFD applications.
The Grid Deformation Module can be applied to any geometric system (3D, 2D planar, or 2D
axisymmetric). All grid cell types are supported (quad, tri, hex, tet, prism, poly). For the automatic
remeshing method only structured (quad, hex) grid types are supported.
It is important that while building the grid system that you keep in mind how the deformation will
affect the grid. As the boundaries move, the interior will be remeshed using a standard TFI
algorithm. If the boundaries move too much or the motion is not well described, then grid quality
could be degraded.
CFD-ACE+ provides the inputs required for the Grid Deformation Module. Model setup and
solution requires data for the following panels:
- Problem Type
- Model Options
- Volume Conditions
Type for details.
Select Grid Deformation to activate the Grid Deformation Module. This module can work with any
of the other CFD-ACE+ modules.
Options for details. The Model Options section includes:
242
- Model Options-Deform
- Model Options-Auto Remesh
- Model Options-User Subroutine
There are no settings under the Shared tab that are related to the Grid Deformation Module,
although most Grid Deformation problems will be run in the transient mode. (See Model Options
for details.)
Implementation-Model Setup and Solution-Model Options-Deform
All of the model options for the Grid Deformation Module are located under the Grid Deformation
(Deform) tab.

Model Options Panel in Grid Deformation Module Mode
There are two options available; auto remesh, and user subroutine (ugrid). At least one needs to
be chosen and both may be activated together if desired.
Implementation-Model Setup and Solution-Model Options-Auto Remesh
The default option for the Grid Deformation Module is to automatically remesh the structured grid
zones based on the motion of the boundaries. This can only be done for structured grid zones.
User Subroutine
If you select the user subroutine option, the CFD-ACE-Solver will call the user supplied
subroutine (ugrid) that enables you to control each grid nodes location manually. See User
Subroutine for details on using the UGRID subroutine.
Implementation-Model Setup and Solution-Model Options-User Subroutine
If you select the user subroutine option, the CFD-ACE-Solver will call the user supplied
subroutine (UGRID) that enables you to control each grid nodes location manually. See User
Subroutine-UGRID for details.
Implementation-Volume Conditions
243
Volume condition settings are only needed if the User Subroutine grid deformation option was
chosen under the Model Options panel.
Volume Conditions for details. Before any volume condition information can be assigned, one or
more volume condition entities must be made active by picking valid entities from either the
Viewer Window or the VC Explorer.
For each volume condition that you want to control grid deformation through the UGRID user
subroutine, you must activate the Moving Grid flag. This is done by changing the Volume
Condition setting mode to General and then selecting the Moving Grid checkbox for each volume
condition region that you wish to control via the UGRID subroutine. See User Subroutines-UGRID
for details on how to implement the UGRID subroutine.
Implementation-Boundary Conditions-Introduction
Click the Boundary Conditions [BC] tab to see the Boundary Condition Panel. See Control Panel-
All of the general boundary conditions for the Grid Deformation Module are located under the Grid
Deformation (Deform) tab and can be reached when the boundary condition setting mode is set
to General. Each boundary condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). See
Control Panel-BC Type for details on setting boundary condition types.
Because the Grid Deformation Module deforms the grid, it does not need any boundary condition
values, but rather it needs to know how to move the boundary condition locations. For this
reason, the boundary condition types do not matter (i.e., the boundary condition description below
applies to all types of boundary conditions).
The boundary conditions necessary to simulate the translation or rotation of any boundary
condition patch are available by selecting the Grid Deformation (Deform) tab. There are two
methods used to define the motion; translation and rotation. By combining the translation and
rotation methods, different moving patterns can be modeled, such as deformation and wave
motion.
The Grid Deformation Boundary Conditions section includes:
- Boundary Conditions-Translation
- Boundary Conditions-Rotation
Implementation-Boundary Conditions-Rotation
There are two rotation subtypes: Rotation Angle and Angular Velocity. Each option is exclusive of
the other for a specific face. However, you can specify both rotation and translation for a face.
The table provides a summary of the rotation variables.
Rotation Input Variables
Variable Description
244
point1 x, point1 y, point1 z
Coordinates of the first point of rotation axis. These are real
values.
point2 x, point2 y, point2 z
Coordinates of the second point of rotation axis. These are
real values.
Forward Angle
Forward angle in degrees. Measured between the initial and
final positions.

Backward Angle
Backward angle in degrees. Measured between the initial
and final positions opposite the Forward Angle
.
Rotation Angle Rotation angle in degrees (for Rotation Angle mode only).
Rotation Omega
Rotation annular velocity in degree/second (for Angular
Velocity mode only)
For 2D geometry, CFD-ACE+ only displays point1 x and point1 y since the rotation of 2D
geometry must be perpendicular to the screen, that is in the z-direction.
The Rotation Angle or Rotation Omega inputs are input with constant values or mathematical
expressions or UserSub(udeform_bc).
The forward and backward angles are defined as rotation for a rotating plane. By specifying
Forward Angle and Backward Angle, a face can oscillate anywhere. They could be same and/or
different. If Forward Angle = Backward Angle, a face will stop rotation at Forward Angle.
245

The rotating plane will rotates between a and b. The angle a or b is called forward or backward
angle. If a is defined as forward angle, then b will be as backward angle and vice versa.
Implementation-Specialized Point Constraint
Tips on Moving Grid Setup
The capability of moving grids in CFD-ACE+ has provided a great opportunity to simulate mesh
deformation-related CFD applications. These kinds of applications exist in solid-fluid interaction,
bio-membranes, and MEMS devices. However, it is also known that the setup process is not a
trivial job especially for complicated geometries. This technical note provides guidance on how to
generate an initial grid so that the software can provide you with expected simulation answers.
Domain Division
Correct domain division of geometry within CFD-GEOM is the first, important step in handling the
moving grid cases. CFD-ACE+ uses the linear interpolation algorithm to generate new grids
dynamically. This technique requires that you generate an initial grid through CFD-GEOM
correctly by domain division. The following figure shows the basic structure of a domain.

Figure 1 - Domain Definition - Points a, b, c, and d define a domain. a, b, c and d are
domain corner points, points w, e, s and n are domain face points. ab, bd, dc and ca are
edges. Internal point (i, j) will be moved by the linear interpolation algorithm.
246
The linear interpolation algorithm works in the following order:
(1) From motions of corner points, calculating face point motions, i.e., from motions of corner
points a, b, c, and d, getting the motions of face points w, e, s, and n.
(2) From motions of face points, calculating internal point motions, i.e., from motions of face
points w, e, s and n, get the motion of internal point (i, j).
From the order above, we can see that the end point of the prescribed moving edge (or face in
3D) must be corners of the domain.
Figure 2 shows a correct domain structure. Since the edge ac is moved by the prescribed motion,
points a and c are corner points of domain abcd. The final new grid will look like figure 3.

Figure 2 - Moving Edge ac - Point a and c are corner points of domain.

Figure 3 - Final Grid After Motion
Figure 4 is still a correct domain structure. The edge ab has been divided into two edges: edge ae
and edge eb. However, the end points of the edge with prescribed motion ac are points a and c,
which are the corner points of the domain abcd. The final new grid will look like figure 5.
247

Figure 4 - Moving Edge ac - Point a and c are corner points of domain. ae and eb are
edges.

Figure 5 - Final Grid After Motion
However, figure 6 defines an incorrect domain structure. Since the end points of moving edge ae
are points a and e, e is not the corner point of domain abcd.

Figure 6 - Moving Edge ae. Point e is not a corner points of domain abcd.
To get the correct grid, the domain should be divided as in figure 7. Where point e becomes
corner point of domain aeec. The final grid will look like figure 8.
248

Figure 7 - Moving Edge ae. Point e is a corner points of domain aeec.

Figure 8 - Final Grid After Dividing Domain
Figure 9 shows the multi domain structure.

Figure 9 - Multi Domain Structures
249
However, the structure shown in figure 9 is not correct! The whole structure has been divided into
4 domains. The prescribed motions are assigned to the edges gj and hi of domain 2. The end
points of the moving edge are points h, i, g and j. These points are the corner points of domains
1, 2 and 3 respectively. However, the moving points i and j are also shared by domain 4. They
are not the corner points of domain 4! Therefore, the structure in figure 9 will fail to return the
correct grids. The correct structure is drawn in figure 10.

Figure 10. Multi Domain Structures
In the figure 10 the moving points i and j are also the corner points of domains 4, 5 and 6
respectively.
Using the .spc File
SPC is the acronym for specialized point constraint and is a CFD-ACE+ file type. Using the
structure in figure 10, we will explain the .spc file. We assume that the moving edges gj and hi are
moving toward an upper vertical direction. After the motion, the new grid should look like figure
11.

Figure 11 - New Grid After Motion
Since the points t and s do not move, the new grid on the right becomes skewed. Occasionally,
the skewed grids create problems in numerical simulations and may lead to unstable schemes or
delay the convergence. If the skewed grid becomes an issue, the .spc file can repair the grid.
With the .spc file, you can define the motions of points t and s the same as points j and i so that
the new grid becomes orthogonal as shown in figure 12.
250

Figure 12 - With the .spc File, the New Grid Becomes Orthogonal
Another feature of the .spc file is that you can define a 1D re-meshing algorithm. The moving grid
re-meshing algorithm uses the linear TFI (Transfinite Interpolation) methodology.

Figure 13 - Grid Structure and TFI Methodology
The motion of internal grid point (i, j) is calculated based on the motions defined at edges through
the 2D re-meshing:

Where, dx and dy are displacements, function f is a linear interpolation function that is defined by
the ratio of the edge length. Sometimes if the geometry has one or more edges that are extremely
non-linear, as shown in figure 14, the linear 2D re-meshing method may not work.
251

Figure 14. Highly Non-linear Geometry. The motion is along the vertical direction (Y
direction)
If we still use 2D re-meshing to calculate the motion of internal point (i, j), the grid will create a
negative volume. This is because the non-linear edge ratio at points e and w cannot be
interpolated by linear function f. We can use the 1D re-meshing technique to repair it. With 1D re-
meshing, the motion of point (i, j) is calculated only through displacement in the Y direction, i.e.,
based on the motion at points n and s:

We can do this using the .spc file. The .spc file has 4 different types of techniques:
- 1D re-meshing
- Sliding
- Face to point re-meshing
- Point to point re-meshing
The function of "sliding" and "face to point re-meshing" can be achieved by "point to point re-
meshing". Therefore, the point to point re-meshing is more general. Its format is:
Zone(n
1
, n
2
) : i
1
, j
1
, k
1
, i
2
, j
2
, k
2
, X_dir, Y_dir, Z_dir
Where Zone is the key word. n
1
and n
2
are the domain index. The i
1
, j
1
, an k
1
are grid node
indexes on domain n
1
, the i
2
, j
2
, and k
2
are grid node indexes on domain n
2
. X_dir, Y_dir and Z_dir
are the re-meshing direction. Based on the problem, you may only need one or two of them:
Zone(n
1
, n
2
) : i
1
, j
1
, k
1
, i
2
, j
2
, k
2
, Y_dir
Zone(n
1
, n
2
) : i
1
, j
1
, k
1
, i
2
, j
2
, k
2
, X_dir, Y_dir
The zone n
1
is the follower zone and n
2
is the leading zone. The function of this specification
defines an assignment, i.e. the displacement of point (i
2
, j
2
, k
2
) on the domain n
2
is assigned to the
point (i
1
, j
1
, k
1
) on the domain n
1
:

The detailed format is written in the .spc help file.
252
253
If you open a blank .spc file as model.spc, where model is the DTF file model name, and run the
simulation, CFD-ACE+ will stop the calculation and write a .spc help file. Follow the hints in help
file to generate a working .spc file and run the simulation again.
CFD-VIEW can post-process the solutions. When the Grid Deformation Module is invoked, the
deformed grids will be written to separate simulations in the DTF file.
What happens if a node shared by two boundaries has two different types of motions?
To illustrate the basic rules that CFD-ACE+ follows, consider the following figure:

- If node 1 is shared by being (translation or rotation) and bc3 (implicit Motion), and Stress
or Free Surfaces (VOF) are being solved for, then node 1 uses Implicit Motion.
- If stress of VOF is not being solved for, then node1 uses Translation or Rotation type.
The Order of Preference is:
1. Implicit Motion (if solving for Stress of Free Surfaces (VOF))
2. Normal Translation Motion
3. UserSub(udeform_bc)
4. Regular Translation or Rotation
If both nodes have the same type of motion but expressions are different, then CFD-ACE+ writes
a warning message to <model-name>.out file and one of them is chosen. If expressions are the
same, then no warning message is given. Corresponding warning messages for each decision
will be written to <modelname>.out file.

Stress Module
Stress Module
Introduction
The Stress Module adds a finite element structural analysis capability to CFD-ACE+ and enables
you to set up the structural model. You can use it in a stand-alone mode for pure structural
analyses or couple it with Flow, Heat Transfer, and Electric modules for multi-disciplinary
analyses. These multi-disciplinary analyses may be grouped into two different categories.
Implicit coupling with other modules is accomplished by sending temperatures, fluid pressures,
electrostatic pressures, etc. to the Stress Module. The Stress Module calculates deformations
(and stresses) from these loads and updates the geometry and grid. Iterations are performed until
convergence is obtained. You have control over how often the geometry/grid is updated via the
stress modules by specifying a grid update frequency. The Stress Module includes:
- Stress Module-Applications
- Stress Module-Features
- Stress Module-Theory
- Stress Module-Limitations
- Stress Module-Implementation
- Stress Module-Frequently Asked Questions
- Stress Module-Examples
- Stress Module-References
Stress-Applications
Stress Module
Applications Introduction
The implicit coupling provided among the Stress and Flow, Heat Transfer, and Electric modules
provides a very powerful and wide ranging analysis tool. The Stress Applications section
includes:
- Stress Module-Pure Structural Analysis
- Stress Module-Coupled Solid/Fluid/Thermal Problems
- Stress Module-Multidisciplinary Electrostatic Problems-MEMS Application
Modules-Stress Module
Application-Pure Structural Analysis
The Stress Module is a structural analysis tool for calculating stress and deflection. The figure
below shows the results of thermoelastic analysis of fuel transfer tubes in a gas turbine atomizer.
A thermal analysis was not performed in this problem; rather, a constant temperature increase of
500K was applied to the geometry, and the resulting stresses calculated.
254
Stress Module

Thermoelastic Analysis of a Gas Turbine Atomizer
Stress Module
Applications-Coupled Solid/Fluid/Thermal Problems
You can perform problems involving the interaction of flow, heat transfer, and stress analysis
using CFD-ACE+, without transferring external data files between different analysis packages.
The figure below shows a static mixer channel used for mixing turbulent fluids. For large flow
rates, stresses at the junction of the mixer arms and the base can become quite large. For this
problem, the deflection of the mixer arms is not large enough to have an impact on the flow field.
The grid and analysis results for this problem is given in the following diagram. This problem used
the one-way coupling feature, in which a converged steady-state flow field was obtained, and
then the pressure loading from that flow field was applied to the Stress Module to calculate the
resulting stresses.

Mixer Channel Geometry

255

Mixer Channel Grid and Solution
The following image shows the results of a coupled fluid/thermal/structural analysis of flow
through an orifice. The geometry is modeled as 2D axisymmetric. Hot gas enters the left side of
the domain at 0.25 m/s and 500K. The initial temperature of the orifice was 300K. This analysis
used the two-way coupling option, where the geometry deformations from the structural analysis
were fed back to the Flow and Heat Transfer Modules.
It also shows the results of four different analyses run for this problem. Image A shows the results
with no structural analysis, i.e. running just a flow and heat transfer problem. Image B and Image
C show the results of coupling the Stress Module with the Heat Transfer and Flow Modules only,
respectively. Image D shows the results of the fully coupled problem (flow, heat transfer, and
stress). This problem shows the necessity of performing this fully coupled solution, since the
results of the flow plus heat transfer solution is not a simple linear combination of the individual
flow and heat transfer solutions (because of the nonlinearity introduced by the flow solution).

Coupled Fluid/Thermal/Structural Analysis of an Orifice
Stress Module
Applications-Multi-disciplinary Electrostatic Problems-MEMS
You can analyze MEMs applications by coupling the CFD-ACE+ Stress and Electric Modules with
the Flow and Heat Transfer Modules. Several examples are shown here. The figure below
256
Stress Module
depicts a model of an accelerator, which is an electrostatic loaded plate clamped by four beams.
This plate sits 2m above a ground plane, and has a 20V voltage applied to it. This figure shows
the calculated displacement contours resulting from the electrostatic load.

Accelerometer Under an Electrostatic Load
Image A shows the geometric dimensions and problem set-up. Image B shows the calculated
displacement of the plate due to the electrostatic load. The displacement of the plate toward the
ground plane is maximum (1.83 mm) at the center of the upper plate.
The following figure shows a high frequency resonator, used in applications such as high pass
filters. A sinusoidal driving voltage is applied to a plate below a resonator beam, deforming it as
seen by the contours. The deformation is coupled through a coupling beam to an output beam
where the change in capacitance between the beam and the ground detects its deformation. The
contours show the calculated vertical displacement for one instance in time.

Displacement Field Contours on a High Frequency Resonator
The following figure shows a linear lateral resonator comb drive. The device has the potential for
many uses such as an accelerometer or gyroscope. A folded beam with attached combs is
257
placed between comb drives which have applied ac or dc voltages to drive or sense the
resonance of the moving folded beam structure.
The following figure shows the structure at two instances in time. The plotted contours represent
the vertical displacement (i.e. normal to the ground plane). The contours show the resultant
increase in tilt due to the electric field asymmetry in the vertical direction as the voltage is
increased.

Linear Lateral Resonator Comb Drive with an Applied Sinusoidal Drive Voltage at Two
Instances in Time
The following figure shows a mesopump where pump actuation is accomplished through
electrostatic forces. This analysis was a flow/stress/electrostatic analysis. The figure that follows
shows the computed electric field distribution.
258
Stress Module

Solid Model of a Mesopump Cell

Electrostatic Field Distribution in a Pump
Stress Module
Features
The Stress Module supports the following structural analysis capabilities:
- Steady-state and transient analysis
- Linear analysis
259
- Nonlinear analysis: geometric nonlinear, material nonlinear
- Contact analysis: elastic/rigid and elastic/elastic
- Piezoelectric (for details see Electric Module)
- Thermoelasticity
- Modal analysis
- Anisotropic material properties
- Various element types
Stress-Theory
Stress Module
Theory-Introduction
The Stress Module solves the structural mechanics equations, in finite element form, derived from
the principal of virtual work (Zienkiewicz, 1971). For each element, displacements are defined at
the nodes and obtained within the element by interpolation from the nodal values using shape
functions. In matrix notation, this may be expressed as:

(9-1)
where u is the continuous displacement field throughout the element, N is the shape function
matrix, and a is the vector of nodal displacements. The particular form of N depends on the
element type and order. Using the strain-displacement relationship, the strains c are derived from
the displacements u and hence the nodal displacements a. This may be expressed as:

(9-2)
If the displacements are large, the strains depend non-linearly on the displacements and thus B is
a function of a. We express this relationship as:

(9-3)
Where B
0
is the standard small-strain strain-displacement matrix, and B
L
is a linear function of
the nodal displacement.
For reasonably small strains, the stress-strain relationship is linear and may be expressed as:

(9-4)
Here, D is the elasticity matrix containing the material properties, c
0
and o
0
are initial strains and
stresses, respectively.
Thermoelastic stress problems are handled by considering the temperature rise T to contribute to
initial strains as:
260
Stress Module

(9-5)
where o
i
represents the coefficient of thermal expansion for coordinate direction x
i
.
The governing equations are derived by forming a balance between the external and internal
generalized forces using the principal of virtual work. If we let f be the vector of externally applied
loads, and apply a nodal virtual displacement of oa, the work done by the external and internal
forces, respectively, are:

(9-6)

(9-7)

where equation 9-2 was used in expressing the strain in terms of the nodal displacements.
Equating the external work done with the total internal work, and recognizing this equality must be
valid for any value of virtual displacement, we arrive at the following equilibrium equation.

(9-8)
For the nonlinear case, a Newton-Raphson technique is used where at each iteration we solve for
a correction to the current displacement field using:

(9-9)

The rate of change of + with respect to a is defined as the tangent stiffness matrix, K
T
. Taking
variations of equation 9-8 with respect to da gives:

(9-10)

From the stress-strain relationship (equation 9-4) and equation 9-2, we can write:

(9-11)
and from equation 9-3:

(9-12)
Thus:
261

(9-13)
where:

(9-14)
The integral in equation 9-13 may be written as (Zienkiewicz, 1971):

(9-15)
where K
o
is known as the initial stress matrix or geometric matrix.
Thus, the equation solved in the Newton-Raphson scheme is:

(9-16)
where:

(9-17)

Convergence is obtained when the maximum correction Aa reaches a predetermined small value.
For a linear problem, K
T
is the standard linear stiffness matrix and only one iteration is needed.
The number of iterations needed in the nonlinear case is highly problem dependent; typical
values range from 3 to 20. For transient analyses, the equilibrium equation (equation 9-8) is
modified to account for the inertial and damping forces, and the same procedure is followed to
derive the basic equation of the iterative scheme.
Although the general elasticity relationship given by equation 9-4 was used, this approach is
general to allow for any nonlinear stress-strain relationship, since the solution will again reduce to
the solution of a set of nonlinear equations as expressed in equation 9-8.
Stress Module
Theory-Damping
To model structural damping, CFD-ACE+ uses a spectral damping method whereby viscous
damping is incorporated by specifying a percent (or fraction) of critical damping (see equation 9-
18 below). Critical damping is defined as the transition between oscillatory and non-oscillatory
response (see following figure).
262
Stress Module

Stress - Damping Responses
The damping fraction depends on the material and the stress level. These values can be obtained
by experimental observations of the vibratory response of a structure, or from past experience
with similar structures. Typical values fall between 0.5% and 15% (see equation 9-19).
CFD-ACE+ uses a specific spectral damping scheme known as Rayleigh or proportional
damping. This approach forms the damping matrix C as a linear combination of the mass and
stiffness matrices. (see equation 9-20)

(9-18)
where o and | are the mass and stiffness proportional damping coefficients respectively. With
this formulation, the critical damping fraction, as a function of frequency, may be express as:

(9-19)
The two damping coefficients o and | are obtained by specifying fractions of critical damping (
1

and
2
) at two frequencies (e
1
and e
2
). This yields two equations in two unknowns which may be
solved as:
263

(9-20)

(9-21)
If the values of o and | are known, they may be entered directly in CFD-ACE+. Otherwise the
four values,
1
, e
1
, e
2
,and
2
may be specified, and o and | will be calculated internally.
The frequency values e
1
and e
2
are usually chosen to bound the design spectrum of the problem.
In such a case, e
1
is taken as the lowest natural frequency of the structure (which may be
obtained from a modal analysis) and e
2
is taken as the maximum frequency of interest in the
loading or the response.
As can be seen from equation 9-21, damping attributed to oM decreases with increasing
frequency, whereas the |K component increases with increasing frequency.
The following figure, taken from Cook, Malkus, et al, shows the fraction of critical damping as a
function of frequency. The frequency range of interest for this example ranges between e
1
and e
2

with critical damping fractions
1
and
2
respectively. This figure demonstrates why e
1
and e
2
are
chosen to bound the design spectrum, as the amount of damping increases substantially outside
this range.

264
Stress Module
Fraction of Critical Damping versus Frequency for Raleigh Damping. Contribution of
Stiffness and Mass Proportional Damping to Total Damping Included
Stress-Limitations
Stress Module
Limitations-Limited Element Library
The elements supported by FEMSTRESS are: triangles, quadrilaterals, tetrahedrals,
hexahedrals, prisms, pyramids, shells, solid shells, and enhanced bricks. The Stress Module
does not support other specialized elements such as beams, bars, rods, and shear panels.
Stress Module
Limitations-Arbitrary Interfaces
The grid resolution required in the structural domains is substantially less than that required for
the fluid domains. This is especially true when second order elements are used in the solid.
However, nodal points must be matched one-to-one at a solid/fluid interface. To work around this,
use unstructured elements in the solid to transition from the fine interface grid to a coarser grid
away from the interface.
Stress Module
Limitations-Cyclic/Thin Wall Boundary Conditions
Stress calculations cannot be made for a thin wall boundary condition.
Stress-Implementation
Stress Module
Implementation Introduction
The Implementation section describes how to set up a model for simulation using the Stress
Module. It includes the following sections:
guidelines
- Model Setup and Solution - Describes the Stress Module related inputs to CFD-ACE+
- Post-Processing - Provides tips on what to look for in the solution output
Stress Module
The Stress Module can be applied to any geometric system (3D, 2D planar, or 2D axisymmetric).
CFD-ACE+ supports quad, tri, hex, tet, pyramid, and prism cell types, but polyhedral cells are not
allowed. CFD-ACE+ can use many different types of elements when solving stress simulations
using the built-in finite element stress module.
Element Types
By default, the elements created in a standard grid system, e.g. triangles, hexahedrals (bricks),
etc., are taken as first order elements, which means that the dependent variables are interpolated
linearly between the nodes.
Alternatively, you may choose second order elements. The stress solver will create second order
elements by inserting mid nodes along each edge. Thus, a 3-noded triangle becomes a 6-noded
triangle; an 8-noded hexahedral (brick) becomes a 20-noded hexahedral (brick), etc. With second
order elements, variables are interpolated quadratically using the three nodes along an edge,
265
greatly increasing the accuracy in most cases. Second order elements should be used with
caution, however, because in addition to increasing the accuracy, the memory and computational
requirements are also increased.
To improve the accuracy of first order elements, we have added two element types in V2003. You
can now activate enhanced first order brick elements or solid shell brick elements. Enhanced first
order brick elements are almost as accurate as second order elements with the advantage that
they require roughly the same memory as first order elements. Solid shell brick elements are
more accurate than standard elements for high aspect ratio grids. CFD-ACE+ can also stack solid
shell elements in multiple layers but these options can only be applied to 3D hexahedral
elements.

The following example illustrates the different solutions that can be obtained using the different
element types. This case is a simple cantilever beam with an applied pressure of 200000 Pa to
the upper side of the beam. The applied pressure causes the beam to deflect downward. The
analytical result for this case indicate a maximum displacement of 0.0146 m. The results are
shown below along with normalized CPU time and memory usage for each element type.
266
Stress Module

It is clear from the results that the first order elements are not accurate enough to capture the
correct solution. The second order elements produce the analytical result but take 4x more CPU
time and 7x more memory. The enhanced first order elements take roughly the same amount of
CPU time and memory for this small case and produce an excellent result.
Choosing An Element Type
First order elements are the most robust and efficient and can be used for many simulations.
However, here are a few guidelines that might help:
- If you have a bending dominated problem (like the bending of a plate or beam) then
second order elements (or enhanced first order bricks) should be used.
- If (nearly) incompressible behavior is present (e.g., in linear elastic materials with
Poisson's ratio greater than 0.49 or nonlinear elastoplastic materials) then enhanced first
order elements or even solid shell elements will perform better than standard first or
second order elements. Keep in mind that these element types are only available for 3D
hexahedral grid systems.
- If you have high aspect ratio hexahedral grids (as in modeling a large plate structure)
then you should use solid shell brick elements.
To set an element type:
1. Select Model Options (MO), and then the Stress Tab.
2. In the Element Order pull-down menu, select one of the following options:
- First Order
- Second Order

To set enhanced first order brick elements or solid shell brick elements:
1. Select Model Options(MO), and then the Stress tab.
2. Set the Element Order to First (this is the default setting).
267
3. Activate the Element Conversion option (this is not required for Enhanced Brick option) if
you want Solid Shells.
4. Select a volume condition region that consists of hexahedral cells.
5. Change the VC setting mode to Stress.
6. Change the Brick Element Option to either Enhanced Brick or Solid Shell. If you are using
Solid Shell elements then you also need to set the shell surface direction by selecting
one BC for each solid that represents the side which will undergo the most bending
(usually the surface with the largest area) and activating the Shell Surface option.
Enhanced and solid shell options can only be applied to 3D hexahedral grid systems.
Structural Analysis
To perform a structural analysis on a region of the domain:
1. Specify the cells within that region as solid cells by assigning a solid type Volume
Condition (VC) to the region.
2. Activate stress in the same region.
If you have activated the Deformation Module, there is another important aspect of grid
generation to be aware of. The deformation module uses a transfinite interpolation (TFI)
procedure to re-grid the deformed fluid regions. This TFI algorithm requires a structured grid, so
any fluid regions of the domain that will be deforming must be structured (i.e. quadrilaterals or
hexahedrals).
The following diagram shows the geometry and grid for flow over a solid block. The fluid grid in
the immediate vicinity of the solid must be structured if the grid is deforming, but the solid grid
itself and the fluids grid away from this region may be unstructured. The interface between the
structured and unstructured regions in the fluid is taken as fixed when the TFI is performed.
268
Stress Module

Sample Grid for Analysis of Deforming Grids
Stress Module
The Model Setup and Solution section includes the inputs and settings required for the Stress
Module. It includes:
- Problem Type
- Model Options
- Volume Conditions
- Solver Control
- Output
Stress Module
Implementation-Model Solution and Setup-Problem Type
269
Type for details.
Select Stress to activate the Stress Module. The Stress Module can work with any of the other
CFD-ACE+ modules. If the grid is deforming (i.e., two-way coupling), then you must also activate
the Grid Deformation Module.
Stress Module
Options for details. The Stress Model Options section includes:
- Model Options-Stress
Stress Module
Implementation-Model Setup and Solution-Model Options-Shared-Introduction
The Model Options Shared tab contains parameters that apply to all modules. For FEMSTRESS,
all but the Time Accuracy option apply, since FEMSTRESS always uses the Newmark algorithm
for time advancement. See Control Panel-Model Options for details in setting up parameters.
Model Options-Stress
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Introduction
All of the model options for the Stress Module are located under the Stress tab. The Stress tab
includes:
- Stress-Analysis
- Stress-2D Geometry
- Stress-Element Order
- Stress-Mass Matrix Type
- Stress-Damping
270
Stress Module

Model Options Panel - Stress Tab
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Analysis
The Stress Tab Analysis section contains a pull-down menu with the following options:
- Linear Analysis - In this option, the Modal Analysis option becomes available at the
bottom of the panel and enables you to specify the number of modes. If you enter a value
N, the Stress Module will calculate the first N mode shapes and their respective
frequencies. If you specify the problem as steady, the mode shapes and frequencies will
be calculated and written to the output file. If you specify the problem as transient, these
values will be used for the transient solution. You can select graphical output of the mode
shapes using the Solutions/Output options. Modal analysis can be used with any grid
type supported by the stress module. However, this option may only be used for linear
problems.
- Non-Linear Analysis - In this option, additional non-linear options become available:
o Geometric Non-Linear - The Geometric Non-Linear options activates Large Deformation
Analysis which allows the non-linear component of the strain tensor to be considered
during formation of the stiffness matrix.
271
o Contact Analysis - If there will be contact between an elastic body and a rigid surface or
between two elastic bodies, then activate the Contact Analysis button. Contact problems
are nonlinear. Contact and target surfaces are specified in Boundary Conditions.
o Material Non-Linear - This option enables you to solve problems where the modulus of
elasticity is a function of strain, as opposed to a default constant value.
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-2D Geometry
For two-dimensional problems, the underlying modeling assumption for structural analysis is
either axisymmetric, plane stress, or plane strain. You can choose the axisymmetric geometry
option under the Model Options-Shared tab.
If the problem is not axisymmetric, choose:
- Plane Stress -If one dimension is smaller than the other dimensions, then the stress in
that direction is negligible. This is referred to as plane stress.
- Plane Strain - If one dimension is larger than the other two, then the strain in that
direction is negligible. This is referred to as plane strain and the analysis is done on a
sliced plane of unit thickness in the larger dimension.
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Element Order
The Element Order menu contains two options:
- First - The elements created in a standard CFD grid system, e.g. triangles, hexahedrals,
etc., are first order structural elements. This means that the dependent variables are
interpolated linearly between the nodes.
- Second - The Stress Module will create second order elements out of the first order ones
by inserting mid nodes for each edge. Thus, a 3-noded triangle becomes a 6-noded
triangle, an 8-noded hexahedral becomes a 20-noded hexahedral, etc. This is only done
for the structural analysis. With second order elements, variables are interpolated
quadratically using the three nodes along an edge, greatly increasing the accuracy in
some cases. Second order elements should be used with caution because in addition to
increasing the accuracy, it also increases memory requirements.
To learn more about element types, see Stress-Implementation-Grid Generation.
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Mass Matrix Type
The Mass Matrix Type menu enables you to setup modal and/or transient problems and contains
two options:
- Consistent - In the consistent option, the mass matrix is calculated using the standard
mathematical finite-element formulation.
- Lumped - In the lumped option, the mass matrix is converted to a diagonal matrix by
lumping the element mass at the nodes.
For most problems, these two options give nearly identical results.
Stress Module
Implementation-Model Setup and Solution-Model Options-Damping
The Damping section enables you to select either structural or numerical damping.
272
Stress Module
Structural Damping
For structural analyses, structural damping may be specified by selecting one of the following
methods:
- Raleigh Damping - In the Rayleigh Damping method (Bathe, 1976), the damping matrix
is a linear combination of the stiffness and mass matrix. The weighting factors are
specified in the Alpha and Beta type-in fields. The damping matrix will be computed as:

(9-22)
where:
k = the stiffness matrix
m = the mass matrix
If the values of o and | are known, you can enter them directly under the Rayleigh
Damping parameters.
- Critical Damping - In Critical Damping, these parameters define a percent of critical
damping at two different frequencies. The values of o and | are then calculated from this
information, as explained in the Stress-Theory section.
Numerical Damping
The transient finite element equations are solved using the Newmark Scheme (Cook, 1981). This
method uses a parameter, , that controls the implicitness of the algorithm. For values of ,
artificial positive damping is introduceda feature that is used in the Implicit Damping approach.
Allowable values are 0.5< < 1.0. At = 0.5, no artificial damping is added to the solution.
Model Setup and Solution-Volume Conditions
Stress Module
Click the Volume Conditions [VC] tab to see the Volume Condition Panel. To assign volume
conditions and activate additional panel options, select an entity from the viewer window or the
VC Explorer.
The Stress Module requires two types of volume condition information to be entered: stress
equations for a given volume condition and structural properties for a solid material. The Volume
Condition mode determines which piece of information is currently being set. The Volume
Condition section includes:
- Volume Conditions-Activating Stress Equations
- Volume Conditions-Structural Properties
Stress Module
Implementation-Model Setup and Solution-Volume Conditions-Activating Stress Equations
To activate stress equations solution:
1. In VC Setting Mode, select the Stress option from the pull-down menu.
273
2. If the volume condition type is Solid, you will be able to select the Activate Stress
checkbox. If the Activate Stress checkbox is not selected, the solid volume will not be
part of the Femstress Solution. In other words, it will be a solid volume with no
displacement and no stress. When you activate the Activate Stress checkbox, an
additional panel appears:

Volume Condition Panel in Stress Mode
3. In the Tref field, enter a reference temperature for the volume condition that will be used
in the thermoelastic analysis. The solver assumes that the given grid is stress free at this
reference temperature. If you do not want to include the effects of thermal stress, then set the
thermal coefficient of expansion to zero. See Volume Conditions-Structural Properties.
The Heat Transfer Module does not need to be activated for a thermoelastic analysis. For cases
where the Flow or Heat Transfer Module has not been activated, the solid temperature will default
to 0K. Thus, to model a temperature increase of 100K, the reference temperature must be
specified as -100K.
Stress Module
Implementation-Model Setup and Solution-Volume Conditions-Structural Properties
With the Volume Condition tab set to Properties, select the volume conditions with the volume
condition type set to Solid. Only volume conditions that are a Solid type need to have structural
properties specified (since there is no stress in fluid or blocked regions there are no structural
properties for those regions.) Structural properties are located under the Struct tab.
Material Type
The Material Type menu enables you to choose whether the material type is linear or non-linear.
Linear Isotropic Materials
The Material section menu enables you to choose an isotropic or anisotropic material. For
isotropic materials, where the structural properties are independent of direction, the Stress
Module requires you to select four properties:
- Density - kg/m
3
(Available under the Phys tab)
- Young's Modulus (modulus of elasticity) -N/m
2

- Poisson's Ratio - dimensionless
- Expansion Coefficient (coefficient of thermal expansion) - m/m-K.
274
Stress Module

Material Property Inputs for Linear Isotropic Materials
Linear Anisotropic Materials
If you choose the Linear Anisotropic Material type, the panel changes to the following for 3D
geometries:
275

Material Property Inputs for Linear Anisotropic Materials
For anisotropic materials, the properties are dependent on direction. For each volume, you must
define a local coordinate system in which the properties are defined. This local system is defined
by the Local X-Axis Vectors and Local Y-Axis Vectors input. These vectors define the local x and
y axes in terms of the global coordinate system. The local z-axis is obtained from the x and y
axes using the right hand rule. These vectors do not need to be unit vectors. The number a
ij
in
these fields represent the jth component (in the global system) of local axis i. The figure below
shows the local system (xy) and global system (XY).

Global (XY) axis and Local Material (xy) Axes
To define this system, enter the following values:
a11 = 1.0
a12 = 1.0
a13 = 0.0

a21 = -1.0
a22 = 1.0
a23 = 0.0
276
Stress Module
After defining the local coordinate system, you must enter values for the expansion coefficient,
Young's Modulus, Poisson's Ratio, and Shear Modulus in the local system. Here, index 1 refers
to the local x axis, index 2 to the y axis, and index 3 to the z axis.
For a general 3D anisotropic analysis, there are six Poisson ratio values. However, only the three
shown need to be entered, as the remainder are obtained from the expression:
E
j
n
ij
= E
i
n
ji

Each individual Poisson ratio value must satisfy (n
ij
< 0.5). For 2D anisotropic problems, you only
need to enter the local x axis components. The local y is obtained by the right hand rule.
Properties are only needed for directions 1 and 2, and plane 1-2 for axisymmetric and plane
stress problems.
Non-Linear Isotropic Materials
If you choose the Non-Linear Isotropic Material type, the panel changes and prompts you to add
two additional properties:
- Initial Yield Stress (N/m
2
)
- Hardening Parameters N/m
2
)

277
Material Property Inputs for Non-Linear Isotropic Materials

Stress Module
Implementation-Model Setup and Solution-Volume Conditions-Piezoelectric Properties
To activate Piezoelectric Properties:
1. Ensure that the Stress box is activated in the PT tab.
2. Click the VC tab and from the VC Setting Mode menu, select Properties.
3. In the Model Explorer, select a volume with a Solid VC Type. An additional portion of the
VC panel appears.
4. From the VC Setting Mode Properties menu, select Solid.
5. Click the Phys tab and enter Density - kg/m
3

6. Click the Struct tab and from the Materials Type menu, select Linear.
7. Enter the following data:
- Young's Modulus (modulus of elasticity) -N/m
2

- Poisson's Ratio - dimensionless
- Expansion Coefficient (coefficient of thermal expansion) - m/m-K.
8. Click the Piezo tab and enter the following:
- Dielectric Matrix - enter diagonal elements of 2x2 for 2D problems and enter 3x3 for 3D
problems
- Piezoelectric Coupling Matrix - enter 4x2 matrix (stress components and 2
geometry/material axes) for 2D or 2D axisymmetric problems and enter 6x3 matrix for 3D
problems
Stress Module
Click the Boundary Conditions [BC] tab to see the Boundary Conditions Panel. To assign
boundary conditions and activate additional panel options, select an entity from the viewer
window or the BC Explorer.
The Stress Module is not supported by the thin wall or arbitrary interface boundary conditions.
This does not mean that these types of boundary conditions cannot be used. It just means that
they cannot be used within any solid volume condition regions where stress solution has been
activated.
Stress Module boundary conditions only need to be given for boundary conditions that surround
any solid region where stress calculation has been activated. This means that the only boundary
condition types that need to have stress conditions applied are walls, rotating walls, and
interfaces. Once one of these types of boundary conditions has been selected, all of the settings
required for the Stress Module are located under the Stress tab and can be reached when the
boundary condition setting mode is set to General.
For any wall, rotating wall, or interface there are four types of stress conditions, known as
subtypes, that may be applied: Free, Prescribed Displacement, Loads, Symmetry, and Cyclic.
278
Stress Module
In addition to these, if contact analysis was specified in the Model Options section, a Contact
Analysis checkbox will appear. If the chosen boundary is part of the contact model, either as a
contact or a target face, this button should be activated and the type of face specified.
The Stress Boundary Conditions section includes:
- Boundary Conditions-Free
- Boundary Conditions-Prescribed Displacement
- Boundary Conditions-Load
- Boundary Conditions-Contact and Target Surfaces
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Free
The Free boundary condition (the default) specifies a free surface with no constraints and no
applied forces.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Prescribed Displacement
The Prescribed Displacement boundary condition fixes the displacement of the specified
boundary to the values or expressions that you enter into the fields for Delta X, Delta Y, Delta Z.
There are two evaluation methods for the Prescribed Displacement subtype: Constant and
Expression.
For the Constant evaluation method you must enter a real number. Then, the displacement value
for the chosen boundary will be fixed to this constant value for the duration of the simulation.
Setting the fixed displacement values to zero ensures that the selected boundary does not move.
If you choose the Expression evaluation method, you may enter a mathematical expression,
specifying the displacement value as a function of the spatial variables (x, y, z) and/or time (t).
The basic math functions: (sin, cos, tan, exp, +, -, *, /, **) are supported. In addition, the constant
PI is recognized as . All of the expression inputs are case insensitive.
For example, a displacement that varies with x-location may be input by specifying the subtype to
be Prescribed Displacement, choosing the Expression evaluation method, and entering, for
example:
0.0001*(X-1.0)
Boundary Conditions-Load
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Introduction
The Load subtype allows forces to be applied to the selected boundaries. You can apply load
options in any of the following combinations:
- Applied Pressure
- Implicit Pressure
- Implicit Shear Stress
- Spring Force
279
- Point Load

Boundary Condition Load Subtype Options

Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Applied Pressure
The Applied Pressure subtype applies a fixed pressure to the specified boundary.

Load Subtype - Applied Pressure Option
There are two evaluation methods for applied pressure: Constant and Expression.
To specify applied pressure as a constant:
1. Under Applied Pressure, select the Constant option.
2. Enter a real number in the P field. The applied pressure for the boundary will be fixed to
this constant value for the duration of the simulation.
To specify applied pressure as an expression:
1. Under Applied Pressure, select the Expression option.
2. Enter a mathematical expression as a function of the spatial variables (x,y,z) and /or time
(t). The basic math function (sin,cos, tan, exp, +, -, *, /, **) is supported. The constant Pi
is recognized as . The expression inputs are NOT case sensitive. For example, a
sinusoidal pressure force may be entered by specifying the subtype as Applied Pressure,
choosing the Expression evaluation method, and entering: 1000.0*sin(2.0* *T)
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Implicit Pressure
280
Stress Module
The Implicit Pressure subtype specifies that the chosen boundary is coupled to another module
and is to get its applied load from that module. This subtype is visible only when the Flow Module
or the Electric Module is selected. Contributions from all modules will be used. For example, if the
Flow and Electric modules are chosen in addition to the Stress Module, any boundaries where
Implicit Pressure is specified will use the calculated fluid pressure and an effective electrostatic
pressure as the applied pressure.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Implicit Shear Stress
The Implicit Shear Stress subtype includes forces due to fluid shear stresses at a fluid-solid
interface.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Spring Force
The Spring Force subtype models a boundary that is assumed to be connected to a rigid plane by
a spring. If you choose this subtype, an additional panel appears requiring:
- Constant - enables you to specify the Spring Constant (k).

Boundary Condition - Load - Spring Force Option
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Point Load
The Point Load subtype specifies the location and force components of one or more point loads.
These loads are applied to the closest node on the selected surface.
281

Boundary Condition - Load - Point Load Option
To specify constant point load values:
1. Select the Point Load checkbox to activate it.
2. In the Total Point Loads field enter the number of points that you want to specify and click
OK. The Current Point Load field is set to 1 indicating that parameters for the first point
can now be set.
3. Select Constant or Parametric from the menu. To specify constant points, enter the X-
Coordinate, Y-Coordinate, Fx, and Fy. Use the arrow located to the right of the Current
Point Load field to scroll through each next point that you entered in the Total Point
Loads field. If Parametric was chose, you must define the parametric input for Fx and Fy .
To define parametric input:
1. Select the Define button to the right of the Fx parameter

The Parametric Input window appears: See Tools Menu-Parametric Input for details
282
Stress Module

2. From the Parametric Input dialog click Add to create a variable. The variable appears in
the list window and two type in fields appear. The field on the left enables you enter a
new name for the variable and the field on the right enables you to enter the value for the
variable.
283

3. To rename the variable, enter a new name in the type in field located at the bottom left of
the variable list.
4. To specify the value for the variable, use the functions provided at the bottom of the
window and/or type the desired formula directly in the value field
5. To add more variables, click the Add button. If you make a mistake, use the Delete button
to delete a specific variable or use the Reset button to clear the Parametric Input dialog.
6. Click Apply to accept changes and OK to save.
7. In a similar manner, define the Fy parametric input.
Stress Module
284
Stress Module
If a Symmetry type boundary condition borders a solid region where stress has been activated
(instead of a wall or interface type), that information is passed to the Stress Module that then
treats it as a symmetry. No further input is required.
However, there are times when a structural symmetry condition is desired on a boundary which is
not modeled as symmetric for the other modules (for example you may want to fix a temperature
at this boundary). You can specify a structural symmetry condition on a wall or interface boundary
by choosing the Symmetry subtype.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Contact and Target
Surfaces
If you select Contact Analysis in the Model Options section, a Contact checkbox appears under
the Stress boundary condition panel. Selecting this box will cause a surface type box to appear
under the SubType box. You can select the surface to be either a contact or a target surface.
Contact and target surfaces are defined in pairs and are matched using a Pair Name. All contact
surfaces with a certain pair name can potentially come into contact with all target surfaces of the
same name. A contact surface group may be a member of only one pair, but a target surface
group may be a member of up to five different pairs.
For contact surfaces, you are prompted to enter the pair name for that surface. For target
surfaces, you are prompted for pair names and contact gap.

Contact Target Surface Parameters
As mentioned, the target surface may be a member of several pair sets.
To define target surface sets:
1. Click the Specify Contact Target button. The Contact Target Pair window appears.
285

2. In the Total Pairs field, enter the total number of pairs for the target surface then click on
the OK button.
3. In the Pair Name box, enter a name for each pair. Each target pair name should have a
corresponding pair name for a contact surface.
4. Click the Close button to close the Contact Target Pair dialog.
A Contact Gap is specified for each target surface. This is the contact/target gap size at which
contact is assumed to occur. This is needed when there is a fluid region between the contact and
target surfaces. If you specify a non-zero contact gap, the fluid cells will be squeezed into that
distance between the two surfaces, rather than going to zero and producing zero or negative
volumes.
Stress Module
Cyclic or periodic boundary conditions for Stress are implemented using the following constraint
equations:

Master (m) Slave (s)
Displacement

Displacement
Normal

Normal
Tangential Vectors ,

Tangential Vectors ,
286
Stress Module

-ve sign, since normals are opposite to each other for
periodic faces
(9-23)

(9-24)

(only 3D) (9-25)

For setup of cyclic/periodic BC, see Cyclic Boundary Conditions.
Stress Module
Click the Initial Conditions [IC] tab to see the Initial Conditions Panel. The Initial Condition panel
appears:

Initial Conditions Panel
287
You can specify Initial Conditions as constant values or have them read from a previously
obtained solution file. If you specify constant values, the Stress Module assumes zero initial
values for displacement, velocity, and acceleration for a non-restart run. You can also define
initial temperature and residual stress.
The Initial Temperature is the temperature value for thermoelastic analyses in which the heat
module is not activated (i.e. the temperatures are constant rather than calculated from the energy
equation). For each volume in the structural model, the temperature difference used to calculate
thermoelastic strain is the difference between this initial temperature and the reference
temperature of the volume (specified in the VC panel).
Initial (or residual) stresses are also specified in this section. Axial stresses in the global x,y, and
z directions are input in the respective boxes. These stresses are defined as positive in tension,
negative in compression.
Stress Module
Click the Solver Control [SC] tab to see the Solver Control Panel. The Solver Control panel
accesses settings that control the numerical aspects of the CFD-ACE-Solver. The Stress Solver
Control section includes:
- Solver Control-Iterations
Stress Module
Implementation-Model Setup and Solution-Solver Control-Iterations
The Solver Control Iterations tab enables you to set the maximum number of iterations and
convergence criteria. If you have chosen a nonlinear structural option (i.e. large deformation,
contact analysis) in the Model Options panel, you can enter the number of iterations of the
Newton-Raphson algorithm in the Iteration field located under the Stress section of the Iter tab of
the SC panel. This iteration value is separate from the number of iterations of the main solver
(specified in the Max. Iterations field in the Shared section), since the Stress Module converges to
a true structural solution each time the solver is called (otherwise, a totally unrealistic geometry
could be sent back to the other modules).
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Stress Module

Solver Control - Iteration Tab - Stress Parameters
Coupling Frequency Iterations
If you also activated the Grid Deformation Module, the Coupling Frequency field appears in the
Stress section of the Iter tab. This variable specifies the frequency, in iterations, that Femstress is
to be called to update the grid. Femstress will always be called at the end of each time step (for
transient simulations), commonly known as one-way coupling, or at the end of the solution (for a
steady state simulation). Thus, if a steady state case converged in 22 iterations and the Coupling
Frequency was specified as 5, Femstress will be called five times (that is, at iterations 5, 10, 15,
20, and 22).
The default value is set to a very large number (100000) to treat the problem as one-way
coupling. For most FSI problems, the coupling frequency needs to be smaller than the maximum
iterations.
Stress Module
The Solver Control Solvers tab enables you to select the linear equation solver to be used for the
solution of the stress equations from the Stress section. The options are:
- Automatic - This option automatically chooses the solver to use for the simulation based
on the problem size. If CFD-ACE+ chooses the CGS solver, you must specify the number
of sweeps and convergence criterion to stop the iterative process
- Direct Solver - This is a linear solver that is recommended for any problems involving
shell elements, since shell elements result in very ill-conditioned systems (Benzi, 1997).
- CGS Solver - The Conjugate Gradient Solver is an iterative linear solver. For this solver,
you must specify the number of sweeps and convergence criterion to stop the iterative
process.
289

SC Panel - Solvers Tab - Stress Equation Options
Stress Module
The Solver Control Relax tab enables you to select the amount of under-relaxation to be applied
for each of the dependent (solved) and auxiliary variables used for the stress equations.
these settings will have to be changed, usually by increasing the amount of under-relaxation that
is applied. There are no general rules for these settings and only experience can be a guide.
There are two possible Stress Module related inputs:
- FEM Contact - The contact model used in the Stress Module requires some linear
relaxation for optimal convergence. The default value of 0.5 will usually suffice, although
values as low as 0.1 may be needed in some cases.
- Grid Motion - If you have activated the Grid Deformation Module, then the calculated
grid deformation is sent back to the Flow or other modules. Relaxing this motion by
checking the Grid Motion box will give the flow field time to adjust. Typical values will
range from 0.05 to 1.0, depending on the severity of the deformation and the coupling
between the flow and stress.
290
Stress Module

Solver Controls - Relax Tab with Grid Motion Option Available
Stress Module
Implementation-Model Setup and Solution-Solver Control-Adv
The Solver Control Adv tab contains two sections:
- Shared - When checked, adds buffered output (what is this and what does it share with?)
- Stress - Adds Gaussian Integration Points.
o First Order
o Second Order
291

Solver Control - Advanced Tab
Stress Module
Implementation-Model Setup and Solution-Output-Introduction
The Output (Out) Panel enables you to modify output location, set output frequency and type, and
select user subroutines. The Output section includes:
- Output-Output
- Output-Print
- Output-Graph
- Output-Monitor
292
Stress Module

Output Panel
Stress Module
Implementation-Model Setup and Solution-Output-Output
The Output (Out) Panel's Output tab enables you to modify output location, set output time step
and frequency, and select user subroutines.
293

Output Panel
Transient Results
The Transient Results section contains an Output Location menu with three options:
- Unique Filename - sends the results to a unique filename
- Unique Simulation - sends the results to a unique simulation
- Replace Simulation - sends the results to replace and existing simulation
Output Frequency
The Output Frequency section contains:
- Constant Time Step -
- Starting Time Step - enables you to enter a starting time step for the output
- Ending Time Step - enables you to enter a ending time step for the output
- Time Step Frequency - enables you to generate one or more time step frequencies
User Defined Output
The User Defined Output section contains three user subroutines:
- User Sub(uout) - When activated, this subroutine will be called from various points in the
solution cycle.
- User Sub(uread_dtf) - When activated, this subroutine will be called from solver at the
beginning of simulation, when solver is reading the DTF file.
294
Stress Module
- User Sub(uwrite_dtf) - When activated, this subroutine will be called from solver at the
end of simulation, when solver is writing the DTF file. At this point, you should not do
anything except write to the DTF file.
Mode Shape Output
If the Modal Analysis Model has been activated (see Model Options-Stress-Modal Analysis for
details) the Mode Shape Output section appears on the Output tab. When you select this output
option, the first N modes, where N is the number of requested modes in the Model Output
section, are written to separate DTF files. These files follow the same numbering format as
transient data files (that is, the first mode shape will be written to Model.0001.DTF, the second
mode shape to Model.0002.DTF, etc).
The Mode Shape Output option opens the Maximum Plot Displacement section of the Output
panel. It has two Evaluation Method options:
- User Specified -Use this option to enter a value in the Absolute Disp. (displacement)
field. This value represents the magnitude of the maximum deformation difference (that
is, maximum displacement minus minimum displacement). For example, if you specify a
value of 1.0, a mode shape with equal positive and negative displacements will range in
value from -0.5 to 0.5.
- Code Calculated - Use this option if you do not know a valid value for the Mode Shape
Output parameter. CFD-ACE+ chooses the displacement based on the size of the
structure. If these displacements are too large or too small, you can use the Scale Factor
field to adjust the value.
Stress Module
Implementation-Model Setup and Solution-Output-Print
The Output (Out) Panel's Output tab enables you to print specific portions of your solution. This
panel changes to include additional print options if other modules have been activated. For the
Stress module only, it contains two sections:
- Shared - The Shared section contains the following options:
o BC Integral Output
o Diagnostics
o Set Residual Frequency
- Stress - When you activate the Stress Module, it outputs a reaction force summary in
addition to the general printed output options. The Reaction Forces option prints the
reaction forces at each fixed node of the structural model.
295

Output Panel - Print Tab
Stress Module
Implementation-Model Setup and Solution-Output-Graphic
The Output (Out) Panel's Graphic tab enables you to select the variables to output to the graphics
file (modelname.DTF). These variables will then be available in CFD-VIEW.

Output Panel - Graphic Tab
Shared
The Density option [need description]
Stress
296
Stress Module
The Stress graphical output variables are:
- Displacement - [need description] (Units - m)
- Cartesian Stress Tensor - [need description] (Units - N/m
2)

- Cartesian Strain Tensor - [need description] (Units - none)
- Principal Stress - Provides the maximum and minimum normal stresses, the maximum
shear stress, and the VonMises stress. (Units - N/m
2)

- Principal Stress Direction - Provides a vector that shows the direction of the maximum
and minimum principal stresses. This may be viewed as a vector in CFD-VIEW. The sign
of the vector is undefined (for example, a point in tension is pulled in each direction). An
arbitrary condition is used to give the vectors a sign. (Units - none)
- Principal Strain - [need description] (Units - none)
- Reaction Forces - Provides the resulting x,y,z direction forces at all fixed boundaries.
(Units - N)
Stress Module
Implementation-Model Setup and Solution-Output-Monitor
The Monitor tab enables you to specify one or more locations where solution variables will be
printed. For more information, see Overview-Monitor Points. All Graphical variables are available
under monitor point output.

Output Panel - Monitor Tab - Monitor Point Definition and Shared Sections

297

Output Panel - Monitor Tab - Stress Section
Not shown are X-Reaction Force and Y-Reaction Force
Stress Module
Implementation-Post-Processing
Use CFD-VIEW to post-process the solutions. When you activate the Stress Module, you will
want to view structural displacements (Cartesian values) and principal stresses. By definition, the
Normal Stress values are defined as positive in tension and negative in compression. The
following table shows a complete list of post processing variables available (depends on the
Graphical Output selections you have selected) as a result of using the Stress Module:
TauMax Maximum shear stress N/m
2

298
Stress Module
VonMises VonMises Stress N/m
2

Stressxx Cartesian stress component o
xx
N/m
2

Stressyy Cartesian stress component o
yy
N/m
2

Stresszz Cartesian stress component o
zz
N/m
2

Stressxy Cartesian stress component o
xy
N/m
2

Stressxz Cartesian stress component o
xz
N/m
2

Stressyz Cartesian stress component o
yz
N/m
2

Strainxx Cartesian strain component c
xx
-
Strainyy Cartesian strain component c
yy
-
Strainzz Cartesian strain component c
zz
-
Strainxy Cartesian strain component c
xy
-
Strainxz Cartesian strain component c
xz
-
Strainyz Cartesian strain component c
yz
-
StrainMax Maximum principal strain -
StrainMin Minimum principal strain -
Shearmax Maximum shear strain -
ShearMin Minimum shear strain -
Fx x-direction reaction force N
Fy y-direction reaction force N
Fz z-direction reaction force N
Displacements are solved at the nodes of the element, whereas the stresses are post-processed
from the displacement field and are calculated at the Gaussian integration points internal to the
elements. The stresses are calculated from displacement derivatives, and thus are one order less
accurate than the displacements. Also, since the stresses are calculated at internal points and
interpolated to the nodes, the stress value at exterior surfaces actually represents the stress at
the integration points inside that surface element.
Stress Module
What is the Cartesian stress tensor?
At each point, we have the stress tensor o
ij
, where i refers to the face and j refers to the direction:
299

The nine components o
ij
make up the Cartesian stress tensor. The stress tensor is symmetric,
i.e. o
ij
=o
ji
, so there are six independent components of the Cartesian Stress Tensor. At each
face, the three components of stress on that face sum vectorally to a force (per unit area) on that
face,

(9-26)
The full stress tensor can combine to create a stress in a general direction:

A simple force balance will give:

(9-27)
where is simply the component representation of .
From equation 9-26 and equation 9-27:
300
Stress Module

(9-28)
or

(9-29)
The force (stress) vector is not necessarily normal to face.

What are principal stresses?
Consider a plane where the normal component of is an extremum. Some math
results in:
1. This is an Eigenvalue problem with three solutions.
2. These planes are planes where is in face normal to the face.
3. Therefore, the shear stress on these planes is zero.
Planes where is maximum give
ax

Planes where is minimum give o
min

The maximum shear stress is given by:

(9-30)
t
max
acts on planes bisecting the planes of o
max
and o
min
.
The VonMises stress is related to the distortional energy of the body (as opposed to the
hydrostatic) and is given by

(9-31)
where o
1
, o
2
, o
3
are the three principal stresses.
I notice that sometimes the displacement values I see in the contour plots do not match
the actual displacement of the grid. Why is that?
This may happen for coupled fluid/solid problems with a grid relaxation parameter less than 1.0,
which are not fully converged. The grid relaxation is used for problems with very large
deformations or problems with initially very large pressures, where we do not want to send the full
grid change back to the fluid solution.
Wouldnt that mean that the two solvers are almost solving two "independent" problems
anytime there is a case where the grid motion relaxation is less than 1.0?
301
The problems are not totally independent, since the grids are related. This semi-independence
fits in with the overall sequential and explicit coupling of the stress and flow solutions, in which
each solution is obtained with information passed from the other solution until convergence is
obtained. The merging of the two grids is part of the convergence process.
For problems that are very difficult to converge, grid relaxation values much less than 1.0
may be needed. For these problems, are any modifications made to account for that fact
that the stress and flow grids may differ?
No type of modification is done to account for the different grids. The thought is that they should
only differ substantially in the early stages when the fluid forces also tend to differ substantially
from the final solution. If these fluid forces are way off, we typically do not want to use the full
displacement that these incorrect forces would cause. As the solution converges the differences
in the grids goes away.
What other methods of obtaining convergence for FSI problems can be used to avoid
using extremely small values of grid relaxation?
Convergence is often problem-specific, but here are some suggestions that should help in most
problems:
- If the problem is transient, using a smaller time step (if feasible) will help. If the problem
is steady, sometimes running it as a transient (to reach steady-state) will help
convergence.
- Linear relaxation on pressure helps to moderate the pressure fluctuations seen by the
stress solver, reducing the displacement fluctuations and aiding convergence.
- Limiting the pressure values is often useful. Sometimes the pressure field will see
unrealistic values during the first few iterations, which will produce unrealistic
deformations (which then feed back into the flow solver). Often the user will know the
approximate maximum and minimum pressure values of the final solution, which can be
used to set pressure limits. With these limits, the non-physical pressure values will not
be sent to the stress solver.
- The coupling frequency option can be used to allow the flow field to develop before the
stress solver is called for the first time. For example, with a coupling frequency of 5,
there will be 5 flow iterations before the first call to the stress solver, which would give
time for the pressure and viscous forces in the flow field to reach more realistic values.
What is Femstress?
FEMSTRESS is the old name for the Stress Module. The Stress Module is a Finite Element
based Structural Analysis Module of CFD-ACE+. It can be used in stand-alone mode or coupled
with the following types of problems:
- Flow (Coupled Flow and Stress/Strain)
- Heat Transfer (Stress/Strain due to Thermal + Fluid Effects)
- Electrostatics (Due to Electrostatic Forces)
- Piezoelectric (Due to Electrostatic Forces in piezoelectric Materials)
What element types are supported?
2D Elements
- Shapes: Triangles, Quadrilaterals
- Formulation: Plane Stress, Plane Strain, Axisymmetric
3D Elements
- Shapes
o Tetrahedral, Prismatic, Pyramidal
302
Stress Module
Standard Brick Elements (First and Second Order)
o Hexahedral
Standard Brick Elements (First and Second Order)
Enhanced Brick Elements (For bending dominated and incompressible problems) (First
Order)
Solid Shells (First Order)
Which element type should I use?
First order elements are the most robust and efficient and can be used for many simulations.
- If you have a bending dominated problem (like the bending of a plate or beam) then
second order elements (or enhanced first order bricks) should be used.
- If (nearly) incompressible behavior is present (e.g., in linear elastic materials with
Poisson's ratio greater than 0.49 or nonlinear elastoplastic materials) then enhanced first
order elements or second order elements will perform better than standard first order
elements.
- For (thin) shell structure analysis, solid-shell element is more accurate than standard first
or second order elements.

How do I use shell elements?
Problem: User cannot figure out how to activate Shell Surface element type.
Solution: Specify one side of thickness direction as Shell Surface, under BC type.

Another Common Problem:
303
- You created a grid with multiple cells in thickness direction
- You must have only 1 cell in the thickness direction to use Solid Shell elements
What value do I set for the contact gap?
Set a value of about 1 or 2 orders smaller than the unsqueezed grid resolution. If you use 3 or 4
orders smaller, the grid-cell aspect ratio will be so high that convergence problems may result.

Stress is on but no stress is predicted.
You may have forgotten to click Activate Stress. Once you have activated the Stress Module, you
must also change the VC Setting Mode to Stress and click Activate Stress in each individual VC
where Stress is to be calculated.

Help! I Have Negative Volumes! (FSI-related problems)
Output File Snippet:
--- Negative Volumes Encountered
Cell No. = 68
X Y = 1.13589721737274 0.485607586491270
Volume = -8.681406085241693E-004
**************************************************************
******
Error: The new grid has negative volumes, which will cause
failure of the solver. The negative volume may be identified
in CFD-VIEW by negative values of the scalar variable "ng_Vol"
in DTF file name =Shear_FSI1_negative.00001.DTF in sim = 1
**************************************************************
******
CPU Time at the end of = 1 time steps.
End of Output Elapsed Time= 1.894724E+01 Delta-time=
8.392066E+00
--- Negative Volumes Encountered
304
Stress Module

Negative volumes are generated when the structure deforms so much that the fluid-grid cells get
highly distorted. Probable causes are large implicit pressures or divergence/non-convergence of
nonlinear FEM iterations.
You may tend to miss the FEM.RSL file below file because it is not accessible through the GUI,
so you will not usually catch this problem yourself.
FEM.RSL File Snippet
# ACE_ITER FEM_ITER Node DOF x y z
Max dphi Energy Norm
#FEMSTRESS Convergence at outer iteration Number 1 of time
step 1
1 1 323 1 -1.3000E-04 3.4616E-03 0.0000E+00
-2.0731E-08 5.0813E-08
1 2 240 2 5.0000E-05 7.3500E-03 0.0000E+00
2.8477E-14 1.3353E-17
#FEMSTRESS nonlinear algorithm converged at iteration Number =
2 with DPMAX = 2.8477E-14
To repair negative volumes:
- Change the inlet boundary condition for velocity or pressure so that implicit force on the
solid is not very high.
- Change the pressure and grid relaxation parameters.
- If transient, reduce the time step size by one or two orders. Restart from the last saved
time step DTF file before negative volumes, with a much smaller time step size.
- If contact, refine the grid to make the contact surfaces more smooth. Problem is cross-
over due to very different resolution (5:1 or more).
- SPC file
Stress-Examples
Stress Module
Examples
The Oil Flow through a Compliant Orifice Tutorial uses the Stress Module with one or more other
Modules.
Stress-Examples-Demo Problems
Stress Module
Examples-Stress Concentration
Create two circles centered at the origin, of radii 0.2 and 0.4 m, and split each point at a
parametric value of 0.25 (i.e. at x=0.0). Put in points C (1,0,0), F (0,1,0) and G (1,1,0). Delete all
but the first quadrant of the circles, and connect the points with lines so that your geometry looks
as shown below.
305
The inner region (ABED) will be meshed with a structured grid, and the outer region (BCGFE)
with an unstructured grid. Create edges on the four curves of the inner domain (AB, BE, ED, DA),
with 11 points along the straight lines and 15 points along the curved lines. Then, create a face
on those edges.
On the outer region, create an edges along the x and y axes (BC and EF, respectively) with 7
points, using the power law distribution with a factor of 1.7. On the other two lines (CG and FG),
create edges with 6 points, equally spaced.
On the inner region, create a face from the four edges, and a 2D block from the face. Create a
loop on the edges of the outer domain, use the Tools->Utilities option to create a 2D domain from
the loop, and then create a triangular grid on that 2D domain. Your grid should now look like that
shown below.

Stress Concentration Geometry

306
Stress Module

Stress Concentration Grid
In the BC/VC editor, set both the face and the loop to solid domains. Specify the edges along the
x and y axes as symmetry faces, and set the other boundaries to walls. Then save this as a DTF
file.
Read this DTF file into CFD-ACE+. When it is read in the unstructured grid and the structured
grid should be represented as a face (i.e. without the grid shown).
In the Problem Type/Modules section, activate the Stress module. The parameters under the
Global section stay at their default values. Under the Model Definition section, choose plane
stress as the Geometry type, and keep all other parameters at their default values.
In the Boundary Condition panel, apply a fixed pressure of 10,000 Pa to the outer wall surfaces,
and leave the inner surface to the default of Free. The constraints will come from the symmetry
surfaces set in CFD-GEOM.
In the Volume Condition section, set the properties of both domains to that for steel (E=2.e+11
Pa, v=0.3). The density and coefficient of thermal expansion are not relevant for this analysis. In
the General section of Volume Conditions, set Equations and Stress Calculation for each volume.
In the Solution Control section, click on Cartesian stress tensor, to get these values written to the
DTF file for post processing. We are now ready to run the problem.
This problem should run quickly. After it runs, read the DTF file into CFD-VIEW, and look at
contours of Sigmaxx and Sigmayy. The stress values are positive in tension and negative in
compression. The applied pressure on the outer surfaces will cause a compressive stress. With a
stress intensity factor of 2 for this case, the minimum value of these stresses should be near
20,000.
Stress Module
Examples-Hoop Stress
The figure below shows the grid used for the Hoop Stress study. The geometry consists of an
infinitely long thick-walled cylinder of inner radius 1 m and outer radius 1.5 m. A constant
pressure of 10,000 Pa is applied on the inner surface. The geometry is modeled with 8-noded
(first order) brick elements, clustered near the inner surface, as shown. A 1/4 sector of the
cylinder was modeled, with symmetry boundary conditions on the circumferential and axial faces.
The relevant properties are:
- E = 200 Gpa
307
- v = 0.30

Geometry for the Stress Analysis
The following figure shows the radial displacement contours (obtained using the Calculator Tool
in CFD-VIEW). Analytical values for the inner and outer displacement are 1.378e-8m and 1.092e-
8 m, respectively.

Radial Displacement Contours
Stress Module
Examples-Large Deflection
The figure below shows the initial and final configurations for the large displacement solution of a
cantilever beam deforming under its own weight. The beam has a length of 3 m and a length to
thickness ratio of 30. The beam properties are:
- E = 23400 Pa
- v = 0.0,
- = 1.0 Kg/m
3

Gravitational loading was taken such that the non-dimensional parameter K= WL
3
/EI was equal to
20, where W is the load per unit length. The table summarizes the analytical and numerical
values for normalized tip deflection (horizontal and vertical).
308
Stress Module

Large Deflection of a Cantilevered Beam

Normalized Tip Deflections
h/L V/L
Analytical 0.445 0.830
CFD-ACE-GUI 0.443 0.832
Stress-Examples-Validation Cases
Stress Module
Examples-Stress Concentration in a Circular Cylinder
Reference
Roark and Young, Formulas for Stress and Strain, Page 600.
Elements
4 noded tetrahedrals
Properties
E=200 Gpa, v=0.30
Details
The geometry consists of a circular beam with a diameter change. The large radius is 2.0 m, the
small radius is 1.0 m, and the fillet radius is 1.0 m. The large diameter end is fixed and a tensile
force is applied to the other end. A 1/8 sector modeled with symmetry BCs. The grid and stress
contours are shown below.
309

Stress Concentration in a Circular Cylinder
Results
Maximum stress concentration:
Roark & Young: 1.33
Stress Module: 1.33
Stress Module
Examples-Thermoelastic Deformation of a Cylinder
Reference
Boley and Weiner, Theory of Thermal Stresses, pg 290.
Elements
4-noded quadrilaterals in axisymmetry.
Properties
E=20 Gpa, v = 0.0, o = 5.0e-5 K
-1

Details
310
Stress Module
A cylinder of inner radius r
i
= 0.5m and outer radius r
o
= 2.5 m was modeled as a 2D
axisymmetrical geometry. The inner surface was held at a temperature of 200K and the outer
surface at 100K, relative to the unstressed temperature value. A value of v=0 was used because
the sides of the cylinder were modeled in the Stress Module as symmetric walls (so the problem
would not be unconstrained), and thus no axial displacement was allowed. Using v=0 uncouples
the radial and axial displacements to allow comparison with the analytical values. The grid and
results are shown below. The radial displacement and circumferential stress are given by:

(9-32)

(9-33)

Results Table
u
inner
(m) u
outer
(m) s
inner
(Mpa) o
outer
(Mpa)
Analytical 0.00317 0.0159 -73.10 26.90
CFD-ACE-GUI 0.00318 0.0159 -68.78 26.62
311

Thermoelastic Analysis in a Cylinder
Stress Module
References
Bathe, K., and Wilson, E.L., Numerical Methods in Finite Element Analysis. Prentice-Hall, 1976.
Belytschko, T., and Mindle, Walu, "The Treatment of Damping" Transient Computation in
Damping Applications for Vibration Control. P.J. Torvik, ed., ASME AMD, Vol. 38, 1980, pp.
123-132.
Benzi, M., Kouhia, R., and Tuma, M., An Assessment of Some Preconditioning Techniques in
Shell Problems. Los Alamos National Laboratory Technical Report LA-UR-97-03892, 1997.
Cook, R.D., Malkus, D.S., Plesha, M.E., Concepts and Applications of Finite Element Analysis.
3rd Edition, John Wiley and Sons, 1989.
Newmark, N.M., A Method of Computation for Structural Dynamics. JEMDiv, 85.EM3 (1959),
67-94.
Roark, R.J., and Young, W.C., Formulas for Stress and Strain. McGraw-Hill, 1975.
Saad, Y., Iterative Methods for Sparse Linear Systems. Boston: PWS, 1996.
Simo, J.C., Algorithms for static and dynamic multiplicative plasticity that preserve the classical
return mapping schemes of the infinitesimal theory, Computer Methods in Applied Mechanics
and Engineering, 99, pp.61-112, 1992.
Zienkiewicz, O. C., The Finite Element Method in Engineering Science. McGraw-Hill, 1971.
312
Stress Module
313
Optimal solid shells for nonlinear analyses of multilayer composites.
Part I: Statics '', L. Vu-Quoc and X.G. Tan, Computer Methods in
Applied Mechanics and Engineering, Vol.192, pp. 975-1016, 2003.
Optimal solid shells for nonlinear analyses of multilayer composites.
Part II: Dynamics '', L. Vu-Quoc and X.G. Tan, Computer Methods in
Applied Mechanics and Engineering, Vol.192, pp. 1017-1059, 2003.

Appendix A - Post Processing Variables
Appendix A
Post-Processing Variables
Variable Description Units Module
D_AnalyteName Diffusivity m
2
/s BioChem
Surfcon_AnalyteName Surface Concentration moles/m2 BioChem
AnalyteName Analyte Concentration M BioChem
Irrcon_AnalyteName
Irreversible Analyte
Concentration
M BioChem
Reaction_Rate
Generation Rate of
Product/consumption Rate of
Substrate
moles/m
2
/sec BioChem
Wall_conc_AnalyteName Wall concentration M BioChem
MassFr Mass fraction - Cavitation
Total_Volume_Fraction Total volume fraction - Cavitation
Vapor_Volume_Fraction Vapor volume fraction - Cavitation
Nox_Rate Nox production rate - Chemistry
Progress Progress Variable - Chemistry
React_Rate Reaction Rate - Chemistry
Species name Species Mass fraction - Chemistry
efieldx Electric Field, x-component N/C Electric
efieldxi
Electric Field, imaginary x-
component
N/C Electric
efieldy Electric Field, y-component N/C Electric
efieldyi
Electric Field, imaginary y-
component
N/C Electric
efieldz Electric Field, z-component N/C Electric
efieldzi
Electric Field, imaginary z-
component
N/C Electric
el_epsr
Dielectric constant or relative
permittivity
- Electric
el_pot Electric Potential Volt Electric
epsr_x_En Weighted electric field normal N/C Electric
314
Jcx_i
Conduction current density,
imaginary x-component
A/m2 Electric
Jcx_r
Conduction current density, real
x-component
A/m2 Electric
Jcy_i
imaginary y-component
A/m2 Electric
Jcy_r
y-component
A/m2 Electric
Jcz_i
imaginary z-component
A/m2 Electric
Jcz_r
z-component
A/m2 Electric
mu_r Relative Permeability - Electric
pestat Electrostatic pressure N/m2 Electric
Qsurf Surface charge density C/m2 Electric
Qvol Volume Charge density C/m3 Electric
sig_i Imaginary part of conductivity O
-1
m
-1
Electric
sig_r Real part of conductivity O
-1
m
-1
Electric
vfx_estat
Virtual electric force, x-
component
N/m3 Electric
vfy_estat
Virtual electric force, y-
component
N/m3 Electric
vfz_estat
Virtual electric force, z-
component
N/m3 Electric
Mach Mach Number - Flow
2
Flow
2
Flow
RHO Density kg/m
3
Flow
STRAIN Strain - Flow
Stream_Function Stream Function m
2
/s Flow
U X-direction Velocity m/s Flow
V Y-direction velocity m/s Flow
Vorticity_Crit Vorticity Criteria - Flow
Visc Effective Viscosity kg/m/s Flow
Visclam Laminar Viscosity kg/m/s Flow
W Z-direction Velocity m/s Flow
315
COND Conductivity W/m-K Heat
CONDY Y-direction Conductivity W/m-K Heat
CONDZ Z-direction Conductivity W/m-K Heat
CP Specific Heat J/kg-K Heat
H0 Total Enthalpy m
2
/s
2
Heat
T Temperature K Heat
T_TOT Total Temperature K Heat
Wall_Heat_Flux Wall heat Flux W/m
2
Heat
Wall_Rad_Flux Wall radiative flux W/m
2
Heat
Ax_r
Magnetic Vector Potential Real x
Component
Wb/m Magnetic
Ax_i
Magnetic Vector Potential
Imaginary x Component
Wb/m Magnetic
Ay_r
Magnetic Vector Potential Real y
Component
Wb/m Magnetic
Ay_i
Imaginary y Component
Wb/m Magnetic
Az_r
Magnetic Vector Potential Real z
Component
Wb/m Magnetic
Az_i
Imaginary z Component
Wb/m Magnetic
J_eddy Eddy current A/m2 Magnetic
Power_dissipation Power dissipation W/m3 Magnetic
Ex_i
RF electric field, imaginary-x
component
N/C Magnetic
Ey_i
RF electric field, imaginary-y
component
N/C Magnetic
Ez_i
RF electric field, imaginary-z
component
N/C Magnetic
|E|rf Magnitude of rf electric field N/C Magnetic
Bx_r Magnetic field real-x component N/A-M Magnetic
By_r Magnetic field real-y component N/A-M Magnetic
Bz_r Magnetic field real-z component N/A-M Magnetic
Bx_i
Magnetic field imaginary-x
component
N/A-M Magnetic
316
By_i
Magnetic field imaginary-y
component
N/A-M Magnetic
Bz_i
Magnetic field imaginary-z
component
N/A-M Magnetic
vfx_mag
Virtual magnetic force, x-
component
N Magnetic
vfy_mag
Virtual magnetic force, y-
component
N Magnetic
vfz_mag
Virtual magnetic force, z-
component
N Magnetic
fx_mag Magnetic force, x-component N Magnetic
fy_mag Magnetic force, y-component N Magnetic
fz_mag Magnetic force, z-component N Magnetic
Te Electron temperature eV Plasma
Ne Electron number density 1/m3 Plasma
nu Collision frequency s-1 Plasma
Jx_Ne Current density, x-component A/m2 Plasma
Jy_Ne Current density, y-component A/m2 Plasma
Jz_Ne Current density, z-component A/m2 Plasma
Ne_avg Average Electron number density m-3 Plasma
Te_avg Average electron temperature eV Plasma
Pwr_avg Average power W/m3 Plasma
Mob_e Electron mobility m2/(V-s) Plasma
dep_avg Deposition rate kg/m2s Plasma
Power Power W/m3 Plasma
E_x x component of ambipolar field V/m Plasma
E_y y component of ambipolar field V/m Plasma
E_z z component of ambipolar field V/m Plasma
D_ScalarName Scalar Diffusion Coefficient kg/m-s Scalar
ScalarName Scalar Name - Scalar
spr_srcu u-momentum source term kg m/s2 Spray
spr_srcv v-momentum source term kg m/s2 Spray
spr_srcw w-momentum source term kg m/s2 Spray
spr_srch enthalpy source term J/s Spray
317
spr_srcm mass source term kg/s Spray
spr_volfrac spray volume fraction - Spray
spr_disp particle concentration particles/m3 Spray
TauMax Maximum shears stress N/m2 Stress
Sigmazz Cartesian stress component o
zz
N/m2 Stress
VonMises VonMises Stress N/m2 Stress
Sigmaxx Cartesian stress component o
xx
N/m2 Stress
Sigmaxy Cartesian stress component o
xy
N/m2 Stress
Sigmaxz Cartesian stress component o
xz
N/m2 Stress
Epsxx Cartesian strain component c
xx
- Stress
Epsyy Cartesian strain component c
yy
- Stress
Epszz Cartesian strain component c
zz
- Stress
Epsxy Cartesian strain component c
xy
- Stress
Epsxz Cartesian strain component c
xz
- Stress
Epsyz Cartesian strain component c
yz
- Stress
EpsMax Maximum principal strain - Stress
EpsMin Minimum principal strain - Stress
Shearmax Maximum shear strain - Stress
ShearMin Minimum shear strain - Stress
Fx x-direction reaction force N Stress
Fy y-direction reaction force N Stress
Fz z-direction reaction force N Stress
D
Dissipation Rate(kc model)
Specific rate of dissipation (ke
model)
m2/s3
s-1
Turbulence
K Kinetic energy m2/s2 Turbulence
VIS_T Turbulent Viscosity kg/m-s Turbulence
YPLUS Yplus values - Turbulence
U2 X-direction velocity of 2nd fluid m/s Two Fluid
V2 Y-direction velocity of 2nd fluid m/s Two Fluid
318
319
W2 Z-direction velocity of 2nd fluid m/s Two Fluid
RHO2 Density of 2nd fluid kg/m3 Two Fluid
H2 Enthalpy of 2nd fluid kg-m2/s2 Two Fluid
Visc2 Viscosity of 2nd fluid kg/m-s Two Fluid
T2 Temperature of 2nd fluid K Two Fluid
Alpha Volume fraction of 2nd fluid - Two Fluid
Stream2 Stream Function of 2nd fluid - Two Fluid
LiqVOF Volume fraction of 2nd fluid - VOF
VOFOld
Volume fraction at previous time
step
- VOF
Rho_1 Density of fluid 1 kg/m3 VOF
Rho_2 Density of 2nd fluid kg/m3 VOF
curvtur curvature m
-1
VOF

Index
2
2D axisymmetric ...... 16, 105, 154, 176, 200,
233, 244, 257, 269, 282
2D axisymmetrical ...................................314
2D Elements ............................................303
2D Hydrofoil Simulation...........................227
2D-axisymmetric........................................16
2nd Order Wall Global ...............................24
3
3D Elements ............................................303
A
Absorption Coefficient .....................202, 209
absorption/emission.................................194
Actuators....................................................54
Adds Gaussian Integration Points ...........295
Adiabatic....................................................67
Adiabatic Option ........................................67
Advanced Tab..........................................295
Air Injection..............................................239
Angular Velocity.......................................246
Applied Pressure .....................................284
Applied Sinusoidal Drive Voltage ............258
Arbitrary Interface34, 67, 108, 165, 178, 236
Arbitrary Interface Boundary Conditions
..................................... 34, 67, 108, 178
Arrhenius .........................................128, 136
Assemble.................................................241
Avogadros Number .................................127
Axial Water Pump Results.......................225
Axisymmetric ...........................276, 278, 303
choose..................................................276
axisymmetric 2D........................................37
B
Backward Angle.......................................246
Backward Facing Step.......................54, 120
Laminar Flow Past .................................54
Turbulent Flow Past .......................54, 120
Binary Diffusion........................................159
Biomechanics ............................................54
Bird-Carreau ..............................................25
Blackbody ................................................186
Spectral Emissive Power .....................186
Body Forces.............................................241
body-fitted-coordinate..............................194
Boiling/Condensating Flows ....................228
Boltzmann................................................163
Boltzmanns .............................................186
Bordelon ..........................................231, 239
Boundary Condition Subtypes...................37
Boundary Conditions ...............................241
Boundary-Layer Flows.............................120
Boussinesq ................................................86
Boussinesqs........................................... 102
Brick Element Option.............................. 269
Bubble Dynamics.................................... 239
Bump......................................................... 54
Buoyant Flows ........................................ 228
C
Calculator Tool........................................ 311
Cantilevered Beam................................. 312
Large Deflection.................................. 312
Carreau..................................................... 16
Carreau Law ............................................. 25
Cartesian Strain Tensor.......................... 300
Cartesian Stress Tensor ................. 300, 303
Casson Model ........................................... 25
Cavitating Flows...................................... 228
Cavitation.. 59, 154, 223, 232, 233, 234, 239
Cavitation Model ............................. 235, 239
Cavitation Model Options........................ 235
Cavitation Module.... 25, 222, 223, 225, 227,
228, 229, 230, 231, 232, 233, 234, 235,
236, 237, 238, 239
Cavitation Module Theory....................... 229
Cavitation Zone....................................... 239
Nuclei Population Downstream........... 239
Centrifugal Pumps .................................. 225
CGS ........................................................ 293
CGS Solver ............................................. 293
CGS+Pre......................... 115, 168, 182, 237
Chemistry Applications ........................... 122
Chemistry Module...... 25, 61, 108, 122, 123,
124, 127, 154, 155, 162, 165, 166, 167,
168, 169, 170, 171, 173
Chemistry Module Theory....................... 127
Chen ....................................................... 102
circumferential................................. 311, 314
Combustion............................................. 173
Combustion Reaction Equilibrium........... 173
combustors ............................................. 122
compared................................................ 241
TFI ....................................................... 241
Complex Flows Including Separation ..... 120
Near-Wall Turbulence Models............. 120
compressibility ........................................ 231
Computational Fluid Dynamics. 77, 184, 228
Computer Methods ................................. 316
Concentration.......................................... 159
conduction/convection ...................... 56, 215
conduction+convection+radiation ........... 214
Conductivity Calculation ........................... 61
Conductivity Evaluation Methods.............. 61
Conjugate Gradient Solver ..................... 241
Conjugate Heat Transfer .......................... 56
321
Contact Analysis......................................289
Contact Gap.............................................289
Contact Target Pair dialog.......................289
Contact Target Pair window ....................289
contact/target ...........................................289
Convection.......................................177, 221
Complex Geometries ...........................221
convection-diffusion-reaction...................152
governing .............................................152
convection-driven.....................................132
Coupled Flow...........................................303
Coupled Fluid/Thermal/Structural Analysis
.............................................................257
Orifice...................................................257
Coupled Radiation...................................221
Numerical Simulation...........................221
Coupled Solver ........................................126
Coupling Frequency ................................292
Critical Damping ..............................265, 276
Critical Pressure Scaling .........................239
Schiebe Headform Traveling Bubble
Cavitation Inception..........................239
cross-diffusion............................................86
portion ....................................................86
value.......................................................86
Current Point Load ..................................285
Current Scalar..........................177, 178, 180
Cyclic Boundary Conditions.....................290
cyclic/periodic BC ....................................290
D
Damping ..........................................276, 316
Damping Applications..............................316
Vibration Control ..................................316
Data Emissivity Sets................................207
Database Manager ..................124, 159, 163
decoupled ................................................214
Deformation .............................................243
Deformation Module ........................223, 269
activated...............................................269
Deforming Grids.......................................269
Density.......................................25, 282, 300
Volume Condition Inputs........................25
Deposition Rate .......................................170
Desired Effect ..........................................178
determine.................................102, 212, 241
emissivity..............................................212
Development............................................120
Turbulence Models ..............................120
Devices....................................................239
Dielectric Matrix .......................................282
differencing ......... 41, 72, 115, 168, 182, 237
Different Temperatures............................186
Different Types ........................................174
Transport Mechanisms ........................174
DIFFUSE Reflection Characteristic .........216
Diffusion...................................................177
diffusivities ...................... 133, 137, 141, 153
diffusivity 108, 124, 132, 150, 163, 174, 175,
177, 182
Direct Numerical Simulations.................... 91
Direct Solver ........................................... 293
Direction.................................................. 102
Dirichlet ................................................... 178
Discrete Ordinate Method...... 185, 186, 192,
195, 199, 202, 203, 206, 210, 211, 212
Discrete Ordinates Method. .................... 221
discrete-ordinate ..................... 192, 193, 194
solving ................................................. 194
discretized....................................... 193, 194
Displacement Field Contours.................. 258
High Frequency Resonator ................. 258
Dissipation Rate...................................... 119
distance................................................... 105
adjacent-to-wall ................................... 105
divergence/non-convergence ................. 303
DNS .......................................................... 91
DOM....... 185, 202, 203, 206, 207, 208, 209,
210, 211, 212, 213
Absorption Coefficient Settings........... 210
Radiation Model Widow-Absorption
Coefficient Settings.......................... 211
Radiation Model Window-Emissivity
Settings............................................ 208
DOM Method........................................... 203
Radiation Model Settings .................... 203
Domain............................................ 102, 241
Domain Definition.................................... 248
Domain Division...................................... 248
domains containing................................. 241
DRey....................................................... 102
DTF......................................................... 297
Dynamic Coefficient ................................ 118
Dynamic Viscosity..................................... 25
Dynamics ........................................ 107, 239
E
Eddy Viscosity.. 79, 102, 109, 114, 117, 118,
119
Effective Viscosity............................. 43, 117
Eigenvalue .............................................. 303
elastic/elastic........................................... 262
elastic/rigid.............................................. 262
elastoplastic .................................... 269, 303
Electric ............................................ 256, 284
Electric Module ............................... 258, 284
electrochemistry.............................. 122, 155
electron-induced ..................................... 125
Electrophysics..................................... 15, 56
Electrostatic Field Distribution ................ 258
Electrostatic Forces ................................ 303
Electrostatic Load ................................... 258
Accelerometer Under .......................... 258
Element Conversion................................ 269
322
Index
Element Order .........................................269
Set ........................................................269
Element Order menu ...............................276
Element Types.........................................269
Elements..........................................102, 241
Ellipsometry .............................................221
Elsevier Noth-Holland..............................221
emissivities ..............................................200
specifying .............................................200
emissivity . 67, 188, 189, 195, 197, 202, 203,
204, 206, 207, 208, 212, 213, 216
determine .............................................212
number .........................................207, 208
Patch....................................................195
Emissivity Set ..........................207, 208, 212
emittance .................................................189
terms ....................................................189
Emitting-Absorbing ..................................189
employing ........................................102, 124
Boussinesqs........................................102
Stefan-Maxwell ....................................124
Energy Combust ......................................120
Engineering Flows ...................................228
Engineering Science................................316
Enhanced Brick........................................269
Enhanced Brick Elements .......................303
Environment Temperature.......................204
EOA Growth Process ..............................148
Equilibrium...............................................155
Equilibrium Reaction Model .....................125
Equilibrium Reactions..............................155
Equivalent Circuit Model ............................54
Squeeze Gas Film .................................54
Exit Boundary ..........................................193
Expansion Coefficient ......................278, 282
experimentation ...............................230, 235
Expression.......................................283, 284
choose..................................................283
Extension.................................................120
k-w-SST ...............................................120
External Heat Transfer ..............................67
Extrapolated...............................................37
Extremely High ........................................204
F
farfield................................................37, 214
farfield BC................................................214
Fast Monte Carlo Scheme.......................221
Thermal Radiation................................221
Favre-averaged .......................................141
Favre-averaged PDF...............................141
Feature Scale Coupling...........................170
Features-Automatic Re-meshing.............241
Features-User Defined Remeshing.........243
fi 241
Figure.......................................................102
Filtering Approach....................................120
Final Grid After Dividing Domain ............ 248
Final Grid After Motion............................ 248
Finite Element ................................. 241, 303
Finite Element Analysis .......................... 316
Applications......................................... 316
Finite Element Solution........................... 241
Finite Element Stress.......................... 15, 56
Finite-Rate .............................................. 155
Finite-Rate Model.................................... 125
Species Solution.................................. 125
First Order............................... 269, 295, 303
Fixed Flux ............................................... 178
Fixed Mass Flow Rate .............................. 34
Fixed Mixture .......................................... 166
Fixed Pressure.................................... 34, 37
Fixed Total Pressure................................. 34
Fixed Value............................................. 178
Fixed Velocity...................................... 34, 37
Fluid Effects ............................................ 303
Fluid Machinery....................................... 239
Fluid Mechanics 238............................... 120
Fluid Properties....................................... 232
Fluid Volumes ......................................... 174
fluid/solid......................................... 175, 303
fluid/thermal/structural ............................ 257
Flux ........................................... 75, 166, 195
Flux Option................................................ 67
Forward Angle......................................... 246
specifying ............................................ 246
Free Simulations..................................... 120
Turbulent Reactive Flows.................... 120
Free Surface ............. 15, 154, 232, 233, 255
Free Surface Module ................................ 59
Free, Prescribed Displacement .............. 282
Frequency............................................... 265
Raleigh Damping................................. 265
Frequency Iterations ............................... 292
Coupling .............................................. 292
Frequently Asked Questions.... 45, 119, 172,
184, 216, 239, 255, 303
FSI .................................................. 292, 303
FSI-related .............................................. 303
Full Algorithm.......................................... 161
Full Cavitation Model .............................. 239
Application........................................... 239
Full Cavitation Model. ............................. 239
fully-turbulent .......................................... 102
fully-turbulent region ............................... 102
Fung.................................................... 25, 54
G
gain/loss.................................................. 194
Gas Diffusion .......................................... 239
The Effect ............................................ 239
Gas Liquid Flow...................................... 239
Gas Phase ...................................... 155, 161
displays ............................................... 155
323
Gas Phase Reactions..............................123
Gas Turbine Atomizer..............................256
Thermoelastic Analysis........................256
Gas Turbine Combustor ..............54, 77, 173
Gases ......................................................189
Theory-Radiation Characteristics.........189
Gaussian..........................................111, 302
specify..................................................111
Gaussian Random Option .......................111
General Circulation Experiments.............120
General Liquid Chemistry........................159
General Liquid Chemistry Option ............159
General Rate ...........................................125
General Scalar.................................174, 177
create ...................................................177
Generic ....................................................170
Generic Semiconductor Reactor .........54, 77
Geometric Non-Linear .............................275
geometrical ..............................................197
Geometry.................................................309
geometry/grid...........................................256
geometry/material ....................................282
Germano............................................91, 120
Germano Subgrid Scale Closure Method120
Proposed Modification .........................120
gerotor .....................................................223
Gibbs .......................................125, 128, 134
minimizing ....................................125, 134
Giersiepen .................................................54
Givi...........................................................120
governing.................................................152
convection-diffusion-reaction ...............152
gradients/scales.......................................216
Graphic ................... 117, 170, 182, 215, 238
Graphic Tab.............................................300
Graphical Output..... 115, 182, 215, 238, 302
GRAY.......................................................216
GRAY Gray/Non-gray..............................216
Grid Deformation Applications.................240
Grid Deformation Boundary Conditions...246
Grid Deformation Features......................241
Grid Deformation Implementation............244
Grid Deformation Module240, 241, 243, 244,
245, 246, 248, 255, 273, 294
activated...............................................294
Describes .............................................244
Grid Deformation Module Mode ..............245
Grid Motion ..............................................294
checking...............................................294
Grid Motion Option Available...................294
Grid Parameter ........................................105
gridding...... 22, 59, 105, 154, 176, 200, 232,
244, 269
H
Handbook ................................................221
Optical Constants.................................221
Hardening ............................................... 278
Parameters N/m2................................ 278
Heart Valve Prostheses............................ 54
Heat Flux................................................... 67
Heat Module.............................................. 75
Heat Subtypes .......................................... 67
Heat Transfer ..... 59, 72, 120, 173, 221, 233,
256, 257
k-e Predictions..................................... 120
Heat Transfer Implementation .................. 59
Heat Transfer Module 25, 40, 56, 57, 58, 59,
60, 61, 67, 72, 75, 77, 108, 201, 232, 257,
258, 277
affect...................................................... 60
CFD-ACE-Solver ................................... 59
If 40
use................................................... 56, 77
values.................................................... 72
Heat Transfer Module Output ................... 74
Heat Transfer Settings Mode.................... 60
heatflux ................................................... 196
Heating...................................................... 67
Helium..................................................... 235
Hellsten................................................... 120
hematocrit ................................................. 25
hemolysis.................................................. 16
stress..................................................... 16
Hemolysis Model....................................... 16
hexahedrals ............................ 268, 269, 276
hf 67
HI ............................................................ 239
High......................................................... 204
High Frequency Resonator..................... 258
Displacement Field Contours.............. 258
High Order Wall Local......................... 24, 39
High Reynolds..................................... 79, 83
Highly Non-linear Geometry ................... 248
high-Re-number ........................................ 79
high-Reynolds........................................... 84
high-Reynolds-number ............................. 79
Hilton Head ............................................. 239
Hinze............................................... 231, 239
HO2......................................................... 128
Honolulu.................................................. 239
Hoop Stress ............................................ 311
Howell ..................................... 186, 191, 221
Hydraulic Diameter ................................. 111
Hydrofoil.................................................. 239
Hydrogen-Air Combustion ...................... 173
hyper-ellipsoid......................................... 148
estimate............................................... 148
I
ic1 ............................................................. 67
ic2 ............................................................. 67
Ice Melting..................................... 57, 60, 66
activated................................................ 66
324
Index
Ideal Gas Law............................................25
If 241
Heat Transfer Module ............................40
ill-conditioned...........................................293
Im.............................................................193
Image.......................................................257
Implicit Damping ......................................276
Implicit Motion..........................................255
Implicit Pressure......................................284
Implicit Shear Stress................................285
Improved Wall Treatment. .......................120
In 102, 241
Rayleigh Damping................................276
In Critical Damping ..................................276
In Situ Adaptive Tabulation..............126, 148
in V2006...................................................102
in/outs ......................................................111
Inc ..............................................................77
includes....................................................105
k-w........................................................105
incoming ..................................................189
W .........................................................189
increase ...........................................256, 277
100K.....................................................277
500K.....................................................256
Inducers...................................................239
inert/passive.............................................174
Influence ..................................................239
Investigations Concerning....................239
Initial Conditions 40, 72, 114, 148, 167, 180,
215, 236, 291
specify..................................................167
Initial Conditions Panel ...... 40, 72, 114, 167,
180, 291
see .........................................40, 180, 291
Initial Temperature...................................291
Initial Yield Stress ....................................278
Inlet ............. 34, 67, 108, 165, 178, 213, 246
In-plane Constraint ..................................285
Instantaneous ..........................................155
Instantaneous Chemistry Model ..............153
Instantaneous Reaction Model ................125
Instantaneous Reactions.........................155
Integrated Mean Reaction LEM...............161
integro-differential ....................................189
Interface...................................................178
introduceda ..........................................276
Investigations Concerning .......................239
Influence...............................................239
invoking....................................................195
McMahon .............................................195
involving...................................126, 128, 196
1000 .....................................................196
Nsp.......................................................128
surface-adsorbed.................................126
Inward......................................................214
set........................................................ 214
ION.......................................................... 170
ioper ........................................................ 170
Irrelevant ................................................. 216
ACEU .................................................. 216
ISAT................................ 126, 147, 148, 161
ISAT Threshold....................................... 161
ISAT Tolerance....................................... 161
Isothermal ........................................... 66, 67
Isothermal Assumption ........................... 232
Isothermal Option...................................... 67
isotropy-of-the-small-scales...................... 91
ISROMAC-8............................................ 239
its.................................................... 211, 214
iter ........................................................... 292
Iteration Tab............................................ 292
Iterations ................................................. 292
Iterative Methods .................................... 316
Sparse Linear Systems....................... 316
ith .................................... 127, 128, 132, 241
J
J.C........................................................... 316
J.O .......................................................... 239
J.R........................................................... 221
J/kg-K........................................................ 75
J/s ........................................................... 215
jth ............................................................ 241
K
Kato-Launder k-e...................................... 83
k-e........................................................... 102
Kelvin ...................................................... 170
Kinematic Viscosity................................... 25
Kinetic Theory......................................... 155
Kirchhoffs ............................................... 188
Kolmogorov............................................. 150
applying............................................... 150
Kronecker................................................ 241
L
Lagrangian........................................ 16, 134
Lame....................................................... 241
Laminar ........................................... 102, 173
Laminar Chemistry Operator Splitting..... 126
Laminar Viscosity.............................. 43, 102
Large Eddy Simulations..... 78, 91, 105, 107,
115, 126, 147, 152, 161
Launder................................................... 102
Layer Model ............................................ 102
LES ..... 78, 91, 105, 107, 114, 115, 118, 152
LES Module Graphical Output ................ 118
Li 128, 134, 239
respect................................................. 134
Lilly.......................................................... 120
Limitations-Arbitrary Interfaces............... 268
Limitations-Cyclic/Thin Wall Boundary
Conditions ........................................... 268
Limitations-Limited Element Library........ 268
325
Limits ...................... 116, 169, 180, 182, 237
LINEAR....................................................282
Linear Analysis ........................................275
Linear Anisotropic Materials ....................278
choose..................................................278
Material Property Inputs.......................278
Linear Eddy Model...........................126, 173
Turbulent Scalar Transport ..................173
Linear Eddy Sub-Grid Model ...................173
Turbulent Reacting Flows ....................173
Linear Extrapolation.................................161
Linear Isotropic Materials ........................278
Linear Lateral Resonator Comb Drive.....258
lines .................................................170, 216
EVOLVE...............................................170
Liq..............................................................25
Liquid Phase............................................159
Liquid Water.............................................197
liquids......................................................231
Liquids .............................................166, 234
lists...........................................................216
n0 .........................................................216
lj 134
Lm....................................................102, 189
Load Subtype...........................................284
Loads.......................................282, 283, 285
Local ........................................................102
Local Material ..........................................278
Local X-Axis Vectors ...............................278
Local Y-Axis Vectors ...............................278
Localized Dynamic ..................107, 118, 161
Localized Dynamic Subgrid Scale Model 120
Turbulent Wall-Bounded Flows............120
Los Alamos National Laboratory Technical
Report LA-UR-97-03892......................316
Low..........................................................204
Low Reynolds Number Turbulence Model
.............................................................120
low-Reynolds ...............................83, 84, 105
form........................................................83
low-Reynolds-number................................79
LPCVD2...................................................170
Lumped - In..............................................276
M
M.E ..........................................................316
M.M..........................................................239
M.W.........................................................120
m/m-K..............................................278, 282
m/s .............................................43, 118, 257
m/Sc.........................................................177
m .............................................................193
m0..............................................................25
m-1...........................................................216
m2......................................................67, 195
m2/s................ 117, 118, 119, 170, 177, 182
m2/s2 ................................ 75, 117, 118, 119
m2/s3 ...................................... 117, 118, 119
m-3.......................................................... 127
m3-sec .................................................... 171
Mach ......................................................... 37
Mach Number ........................................... 43
Malasekera ....................................... 77, 184
Malkus............................................. 265, 316
March 2000............................................. 239
Mass Conservation................................... 17
Mass Diffusion ........................................ 162
Mass Flow Calculations ............................ 15
Mass Fraction ......................................... 125
Mass Matrix Type menu ......................... 276
Mass Proportional Damping ................... 265
Total Damping Included ...................... 265
MassFr .................................................... 238
Material Non-Linear ................................ 275
Material Property Inputs.......................... 278
Linear Anisotropic Materials................ 278
Linear Isotropic Materials.................... 278
Non-Linear Isotropic Materials ............ 278
Material Type .......................................... 278
Material Type menu........................ 278, 282
Materials ......................... 216, 241, 278, 303
Number................................................ 216
Mathematical Basis................................. 239
Max ......................................................... 292
Max dphi Energy Norm........................... 303
Maximum Additions................................. 161
Maximum Plot Displacement .................. 297
opens................................................... 297
Maximum Temperature........................... 161
setting.................................................. 161
Mazunder ........................................ 196, 221
MC .......................... 196, 202, 212, 214, 216
performing ................................... 196, 202
McGraw Hill............................................. 221
McGraw-Hill ............................................ 316
McMahon ................................................ 195
invoking ............................................... 195
McMurtry................................. 150, 152, 173
measure.................................................... 86
vorticity .................................................. 86
Mech ....................................................... 120
Mechanical Engineering ......................... 173
Thermal Energy Laboratory Department
......................................................... 173
Media ...................................................... 155
MEMs.............................................. 248, 258
Menon............................................. 120, 173
Menter............................................... 86, 120
mesopump .............................................. 258
shows .................................................. 258
Mesopump Cell ....................................... 258
Solid Model.......................................... 258
326
Index
meters.eg.................................................216
Method.....................................241, 243, 316
Computation.........................................316
method uses ............................................241
mI .....................................................127, 134
min/max ...................................................237
Mindle ......................................................316
Minf ............................................................25
minimizing........................................125, 134
Gibbs............................................125, 134
Minimum Temperature ............................161
Mix JANNAF1 ............................................61
Mix Kinetic Theory1...................................61
Mix Kinetic Theory2...................................25
Mix Polynomial.....................................25, 61
Mix Sutherlands Law2 ..............................25
Mixer Channel Geometry.........................257
Mixer Channel Grid..................................257
Mixture Fraction.......................................124
Mixture Fraction Approach ......................155
Mixture Mass Fraction ... 124, 125, 133, 155,
162
Models..................................................155
Mixture Solution...............................125, 136
Mixtures ...................................................162
Mixtures button ........................................159
mo............................................................170
Modal Analysis.........................................275
Modal Analysis Model..............................297
Mode Shape Output ................................297
value.....................................................297
Model Definition.......................................309
Model Explorer.........................................282
Model Options 106, 154, 163, 177, 180, 201,
234, 244, 245, 269, 274, 282, 289, 292
Model Options Panel ..... 106, 154, 155, 177,
201, 234, 244, 274
see ...... 106, 154, 177, 201, 234, 244, 274
Model Options Settings ...........................235
Model Options Shared.............................274
Model Options-Shared.............................276
Model Options-Stress-Modal Analysis ....297
Model Output ...........................................297
Model Setup.....................................202, 273
Model.0001.DTF......................................297
Model.0002.DTF......................................297
shape ...................................................297
model.spc ................................................248
modelname.DTF.... 117, 170, 182, 215, 238,
300
modelname.e,a........................................170
modelname.EVSPEC..............................170
modelname.nn.FSC file...........................170
modelname.nnn.FSC...............................170
modelname.out .. 43, 75, 170, 171, 182, 183,
215, 216
modelname.species_name.nn.EVFLX ... 170
modelname>.OPTIC............................... 216
modelname>.out file ............................... 255
model-name>.out file .............................. 255
modelname>.PATCH.............. 200, 214, 216
modelname>.PATCH file ........................ 200
Models menu .......................................... 202
Moderate................................................. 204
Modest, M.F............................................ 221
Module Graphical Output ........................ 170
modules...................................... 15, 56, 123
Modules Not Supported.......................... 232
Modules-Stress Module.......................... 256
modulus .......................... 241, 275, 278, 282
Molecular Wt ............................................. 25
Monitor .............................................. 74, 301
Monitor Point Definition........................... 301
Monitor Tab............................................. 301
Monte Carlo ... 185, 195, 196, 197, 199, 200,
202, 216
choose................................................. 202
use....................................................... 196
Monte Carlo Method ....................... 195, 199
Monte Carlo Model.................................. 196
Monte Carlo Radiation Mode.................. 202
Monte Carlo raytracing ................... 196, 202
result.................................................... 196
Monte-Carlo Methods ............................. 186
Monthly Weather Review 91................... 120
Motion ..................................... 241, 243, 255
Moving ................................................ 57, 60
Solid ...................................................... 60
Solids..................................................... 57
Moving Edge........................................... 248
Moving Edge ae...................................... 248
Moving Grid............................................. 245
Moving Grid checkbox ............................ 245
selecting .............................................. 245
Moving Grid Setup.................................. 248
Moving Solids................................ 57, 60, 66
activated................................................ 66
moving/deforming ................................... 240
Mpa......................................................... 314
mt ............................................................ 102
mTorr ........................................................ 16
Mu_0......................................................... 25
Mu_inf ....................................................... 25
Mu0........................................................... 25
Muinf ......................................................... 25
Multi Domain Structures ......................... 248
Multi-component ..................... 124, 127, 163
Multi-component Diffusion .............. 155, 163
multi-dimensional .................................... 222
multi-disciplinary ..................................... 256
Multi-Physics Applications .................. 15, 56
multiplicative ................................... 150, 316
327
Multi-step Reaction......................54, 77, 173
Mushy ........................................................66
choose....................................................66
N
Natural Convection..............................54, 77
Natural Convection Problems....................56
Near-Wall Turbulence Models.................120
Complex Flows Including Separation ..120
Negative Volumes ...................................303
Negative Volumes Encountered..............303
Nesman ...................................................239
New Grid Becomes Orthogonal...............248
New Numerical Method ...........................221
Radiation Heat Transfer.......................221
Newmark..........................................274, 316
uses......................................................274
Newmark Scheme ...................................276
Newton-Raphson.............................262, 292
ng_Vol......................................................303
ni 127, 134
respect .................................................134
Nitrogen ...................................................235
No Melting..................................................66
No Solid Cell Wall Boundary .....................67
No Solidification.........................................66
noded tetrahedrals...................................313
Nodes ..............................................241, 243
non-condensable... 222, 228, 231, 235, 236,
239
level ......................................................236
pick.......................................................235
Non-Condensable Gases ........................231
Theory-Effect........................................231
non-dimensional ........................80, 216, 312
define .....................................................80
None ........................................................163
non-equilibrium........................................102
Non-Equilibrium Model ............................102
Nongray ...................................................216
Non-Gray .........................................203, 216
NONGRAY Gray/Nongray.......................216
Non-Gray Property Banding ....................206
Nongray/Semitransparent........................216
Nonhomogeneous Participating Media. ..221
Non-Linear Analysis ................................275
Non-Linear Isotropic Materials.................278
choose..................................................278
non-Newtonian...........................................16
Non-Newtonian Viscosity Options .............16
non-oscillatory..........................................265
Normal .....................................................102
Normal Distance......................................102
Normal Stress..........................................302
Normal Translation Motion ......................255
Normalized Tip Deflections......................312
NOx................................................. 124, 171
Nuclei Population Downstream............... 239
Cavitation Zone................................... 239
Numerical Control Settings..................... 180
User Scalar Variables ......................... 180
Numerical Damping ................................ 276
Numerical Methods................................. 316
Numerical Simulation...................... 120, 221
Coupled Radiation............................... 221
Surface Pressure Fluctuations............ 120
O
Omega ................................................ 39, 40
one-dimensional.............................. 147, 150
sum...................................................... 147
OPAQUE................................................. 216
opaque/semi-transparent........................ 212
opaque/transparent................................. 212
Operator Splitting............................ 147, 161
Optical Constants.................................... 221
Handbook............................................ 221
Optical Database File ..................... 200, 216
OPTICAL.DAT ........................................ 216
Optional Variables..................................... 37
Options...................... 23, 102, 155, 159, 177
Options Panel .. 60, 106, 201, 202, 234, 245,
274
order-of-magnitude ................................. 204
Orifice...................................................... 257
Coupled Fluid/Thermal/Structural Analysis
......................................................... 257
Orszag .............................................. 82, 120
OUT .......................................................... 74
Outlet .......... 34, 67, 108, 165, 178, 213, 246
Output 42, 74, 117, 170, 182, 215, 238, 296,
297, 299, 300
Output Elapsed Time.............................. 303
End...................................................... 303
Output File Snippet ................................. 303
Output Frequency ................................... 297
Output Location menu ............................ 297
contains............................................... 297
Output Panel ..... 74, 296, 297, 299, 300, 301
Outward .................................................. 214
set........................................................ 214
Overview................................................. 106
Oxford University Press.......................... 239
P
P_tot.......................................................... 43
Pair Name............................................... 289
Palik ................................................ 197, 221
Panel's Graphic....................................... 300
Panel's Output ................................ 297, 299
parameterizations ................................... 152
parameterized......................................... 152
Parameters N/m2.................................... 278
Hardening............................................ 278
328
Index
Parametric ...............................................285
Parametric Input dialog............................285
clear .....................................................285
Parametric Input window.........................285
PARTIALLY_SPECULAR........................216
Passive ............................................174, 177
Passive Scalar .................................174, 177
create ...................................................177
Patch........................................................195
Emissivity .............................................195
Patch File.........................................200, 216
Patel.........................................................102
pdf .. 124, 125, 126, 141, 142, 143, 144, 147,
150
form......................................................141
shape ...................................................126
phenomenologically...................................79
Phys.................................................278, 282
Phys.Fluids ..............................................120
Physical ...................................................102
pI 283, 284
Piecewise Linear..................................25, 61
Piezo........................................................282
Piezoelectric Coupling Matrix ..................282
Piezoelectric Properties...........................282
Plancks ...................................................186
Planck's....................................................186
Plane Strain .....................................276, 303
Plane Stress ....................................276, 303
Plesha......................................................316
Point Load................................................285
point-iterative ...........................................137
Poiseuille ...................................................16
Poisson................... 174, 182, 269, 278, 303
Poisson Scalar.................................174, 177
create ...................................................177
Poissons .................................................241
Poisson's Ratio................................278, 282
Polarized Light .........................................221
Polynomial Constants................................61
Porous Media...........................................101
Post Processing Variables. 43, 75, 171, 183,
302
Post-Processing Variables ......................238
Power Law.................................................25
ppm..........................................................231
Prandtl ...................................58, 61, 80, 108
Prandtl Number..........................................61
Pratt .........................................................125
Pratt David...............................................173
Prediction.................................................120
Channel................................................120
pre-exponential ........................................128
Prentice-Hall ............................................316
Prescribed Displacement.........................283
Pressure ......................... 102, 269, 309, 311
velocity sensitized ............................... 102
Pressure Distribution .............................. 239
Pressure Field Calculations...................... 15
Pressure Gradient................................... 102
Pressure Profiles Without Cavitation Model
............................................................ 223
Previous.................................................. 115
Primitive Equations ................................. 120
Principal Strain........................................ 300
Principal Stress....................................... 300
Principal Stress Direction........................ 300
Printed Output......................................... 215
Prisms..................................................... 241
Problem Type..... 23, 59, 106, 154, 177, 201,
233, 244, 273
Problem Type Panel .. 23, 59, 106, 154, 177,
201, 233, 244, 273
Problem Type/Modules........................... 309
problem-specific...................................... 303
Profile...................................................... 102
Profile 2D.......................................... 67, 110
Progress Variable ................................... 171
Propane .............................. 54, 77, 120, 173
Turbulent Mixing.............. 54, 77, 120, 173
Properties... 25, 61, 162, 177, 216, 235, 241,
278, 282
Name................................................... 216
set.................... 25, 61, 162, 177, 235, 278
Property Database Manager................... 167
Property Manager ................................... 165
proportionality ................................... 79, 133
Proposed Modification ............................ 120
Germano Subgrid Scale Closure Method
......................................................... 120
Przekwas ................................................ 221
Pseudo MC............................................. 202
Pump............................................... 239, 258
Pure Conduction Problems....................... 56
Pyramidal ................................................ 303
Pyramids................................................. 241
Q
quadrature............................................... 191
Quasi MC................................................ 202
R
Radial Displacement Contours ............... 311
Radiation................. 195, 199, 201, 213, 233
Radiation Heat Transfer.......................... 221
New Numerical Method....................... 221
Radiation Mode....................................... 201
Radiation Model ...................... 202, 214, 215
Radiation Model Settings........................ 203
DOM Method....................................... 203
Radiation Model Widow-Absorption
Coefficient Settings ............................. 211
DOM.................................................... 211
Radiation Model window......... 202, 203, 204
329
STS Method .........................................204
Radiation Model Window-Emissivity Settings
.............................................................208
DOM.....................................................208
Radiation Model Window-Radiation Sources
Tab.......................................................211
Radiation Model-Absorption Coefficient
window.........................................210, 211
Radiation Module..... 56, 185, 186, 188, 189,
190, 191, 192, 193, 194, 195, 196, 197,
199, 200, 201, 202, 203, 204, 206, 207,
208, 209, 210, 211, 212, 213, 214, 215,
216, 221
affect ............................................201, 215
Describes .............................................200
respect .................................................213
tell.........................................................216
Radiation Module Related Graphical Output
.............................................................215
Radiation Source.....................202, 204, 211
press ....................................................211
Radiation Temperature............................214
Radiation Wavelengths Settings..............206
Radiation Window-Emissivity Settings ....207
STS......................................................207
Radiative Heat Transfer...................189, 221
Radiative Wall Heat Flux .........................215
radiatively.................................................195
radiosity ...................................................191
Raleigh Damping.............................265, 276
Frequency ............................................265
Ramp .........................................................54
Random Inlet ...........................................111
RANS............................ 78, 79, 91, 105, 114
RANS checkbox.......................................114
Rapid Thermal Chemical Vapor Deposition
.....................................................185, 195
Rapid Thermal Processing ..............185, 195
realized.................................................195
rate/Specific.............................................110
rate-of-progress .......................................128
Rayleigh...................................................265
Rayleigh Damping ...................................276
In 276
Rayleigh-Plesset......................................230
form......................................................230
raytracing.................................................195
Re*y.........................................................102
Reacting...................................................228
Flows....................................................228
Reaction Cutoff Temperature ..................161
set ........................................................161
Reaction Database Manager...................155
Reaction Forces...............................299, 300
Reaction Manager ...................................124
Reaction Rates ................................170, 171
realized ................................................... 195
Rapid Thermal Processing.................. 195
recirculation............................................. 119
RNG .................................................... 119
Reduced Flow Models ........................ 16, 39
reduces ................................................... 241
Reference ....................................... 163, 230
provide................................................. 163
Reference Specie ........................... 124, 163
reflectivities ............................................. 200
Region..................................... 102, 241, 243
Regular Translation ................................ 255
Reisman.......................................... 231, 239
relaminarization......................................... 83
Relations................................................. 127
Relations-Chemical Rate Expressions ... 128
Relations-Composition Variables............ 127
Relations-Introduction............................. 127
Relations-Mixture Fractions.................... 132
Relax Tab................................................ 294
Relaxation............................... 115, 168, 237
releases .................................................. 232
CFD-ACE ............................................ 232
remesh............................................ 241, 245
remeshed................................................ 244
remeshing ............................... 241, 243, 244
renormalization ......................................... 82
Renormalization Group Analysis ............ 120
Replace Simulation................................. 297
Required Inputs................................... 25, 61
Required Variables ................................... 37
Reset button............................................ 285
use....................................................... 285
Results Table.......................................... 314
Rey.......................................................... 102
Rey Re*y................................................. 102
Reynolds Averaged Navier-Stokes........... 78
Reynolds stress ...................................... 102
Reynolds-number...................................... 79
RMS................................................ 111, 114
RNG.................................................. 82, 119
recirculation......................................... 119
RNG k-e.................................................... 82
root-mean-square ................................... 110
Rotating................................................... 178
Walls.................................................... 178
rotating/deforming................................... 223
Rotation................................................... 255
Rotation Angle ........................................ 246
Rotation Input Variables ......................... 246
Rotation Machinery. ................................ 239
Rotation Omega...................................... 246
RPM........................................................ 223
S
Sample Grid............................................ 269
Analysis............................................... 269
330
Index
Sandaram................................................105
Save LES Statistics .................................115
SC Panel..................................................293
Scalar.......................................177, 178, 180
Scalar Control ..........................................174
Scalar Diffusion Coefficient .....................183
Scalar Diffusivity ..............................177, 182
Volume Condition Inputs......................177
Scalar Module..........................................183
Scalar Module Graphical Output .............182
Scalar Name....................................177, 183
Scalar Tab ...............................................177
Scalar Types............................................174
Scalar Values...........................................182
scalars diffusivity.....................................177
Scale Temperature..................................161
scales...............................................102, 111
scales lt....................................................102
Scaling Factor..........................................297
use .......................................................297
Scattering Gray Medium..........................189
scheme ............................................241, 243
scheme applies........................................241
Schiebe Headform Traveling Bubble
Cavitation Inception .............................239
Critical Pressure Scaling......................239
Schmidt........................... 108, 124, 150, 177
Schmidt Number ..............................162, 177
Schneck.....................................................25
Schuller....................................................239
Second Order ..........................269, 295, 303
Semi.........................................................216
semi-independence .................................303
semi-transparent............. 199, 209, 210, 211
Set Residual Frequency ..........................299
Setup ...............................................154, 176
Setup-Problem Type..........................23, 273
SGS ...........................................91, 107, 109
SGS Dissipation Rate..............................118
SGS Kinetic Energy.................................118
SGS Model ..............................................107
SGS Turbulent Kinetic Energy.................109
Shared . 23, 60, 61, 155, 177, 201, 234, 245,
292
Shared - When.........................................295
Shared Sections ......................................301
Shared Tab..............................................177
Shear Flows.............................................120
Shear Modulus.........................................278
Shear Stress............................................102
Shear Stress-Related Blood Damage .......54
Estimation ..............................................54
Shearmax ................................................302
ShearMin .................................................302
Shell Problems.........................................316
Shell Surface ...................................269, 303
Silicon Dioxide ........................................ 197
Simple Flow Model checkbox ................... 24
Selecting................................................ 24
simplifies ................................................. 241
Single-Step Finite Rate Chemistry Model153
Singular Value Decomposition................ 161
Situ Adaptive Tabulation......................... 147
Slip Wall Boundary Conditions ................. 16
Slower ..................................................... 116
Smagorinsky ............................. 91, 107, 120
Smagorinsky SGS................................... 107
Solid...... 57, 60, 61, 177, 221, 277, 278, 282
Moving............................................. 57, 60
set........................................................ 278
Solid Cell ................................................... 67
Solid Model ............................................. 258
Mesopump Cell ................................... 258
Solid Shells ..................................... 269, 303
Solid VC Type......................................... 282
Solid Volumes......................................... 174
solid/fluid................................................. 268
solid/solid ................................................ 175
Solid-body Elasticity Analogy.................. 241
Solidification.................................. 57, 60, 66
activated................................................ 66
Solve Combustion................................... 161
Solve Concentration ............................... 159
Solvers Tab............................................. 293
Some Preconditioning Techniques......... 316
An Assessment ................................... 316
Soret ....................................................... 163
source/sink................................................ 57
Spalart Allmaras Model........................... 114
Spalart-Allmaras ............................... 88, 119
Spalart-Allmaras Model .......................... 109
Spalding.................................................... 80
Spaldings ............................................... 102
Sparse Linear Systems........................... 316
Iterative Methods................................. 316
Spatial Differencing.... 41, 72, 115, 168, 180,
182, 237
Spaulding.......................................... 80, 120
SPC......................................................... 248
SPC file........................................... 248, 303
Species button ........................................ 159
Species Conservation Options ............... 124
Species Diffusivity................................... 170
Species Flux ........................................... 170
Species Fraction Approach..................... 155
Species Mass.......................................... 171
Species Mass Fraction .. 124, 125, 133, 155,
161, 162, 170
use....................................................... 170
Species Mass Fraction Mass Transport . 155
Species Solution ............................. 125, 137
Finite-Rate Model ................................ 125
331
Species Specification ..............................166
Species Thermodiffusivity........................170
Specific Heat........................................61, 75
Specific Heat Calculation...........................61
Specific Heat Evaluation Methods.............61
Specify Contact Target button.................289
Spectral Characteristic ............................216
Spectral Emissive Power.........................186
Blackbody.............................................186
specular .................. 185, 193, 199, 200, 216
SPECULAR Reflection Characteristic .....216
specularity................................................216
SPEEDIE.................................................170
corresponding ......................................170
SPEEDIE DEPO......................................170
correspond ...........................................170
SPEEDIE LPCVD....................................170
SPEEDIE LPCVD1..................................170
Speziale...................................................120
Spray .......................................................233
Spring Force ............................................285
Spring Force Option ................................285
Springer .....................................................54
Squeeze Gas Film.....................................54
Equivalent Circuit Model ........................54
Srinivasan................................................221
ST Opaque/Semitransparent...................216
Staggered Chemistry.......................126, 161
and/or ...................................................126
Standard ..........................................102, 241
Standard Brick Elements.........................303
standard Galerkin ....................................241
Static Pressure ..........................................43
Stefan Maxwell ........................................163
form......................................................163
Stefan-Boltzmann............. 67, 186, 191, 195
Stefan-Maxwell ................................124, 163
employing.............................................124
request .................................................163
Stiffness...........................................241, 265
Stoffel...............................................231, 239
stoichastically...........................................150
stoichiometric.......... 125, 127, 128, 133, 136
array.....................................................128
stoichiometrically .....................125, 133, 134
specify..........................................125, 134
stoichiometry............................125, 127, 136
STRAIN......................................43, 313, 316
Strain Invariant.........................................118
strain-displacement .................................262
Stream Function ........................................43
Stress16, 102, 241, 255, 256, 258, 269, 273,
274, 277, 282, 289, 290, 292, 293, 295,
299, 300, 303, 309, 313, 316
Formulas ......................................313, 316
hemolysis ...............................................16
solving ................................................. 255
VOF..................................................... 255
Stress - Damping Responses................. 265
Stress Analysis ....................................... 311
Stress Applications ................................. 256
Stress Boundary Conditions ................... 282
Stress Calculation................................... 309
Stress Concentration .............................. 313
Stress Concentration Geometry ............. 309
Stress Concentration Grid ...................... 309
Stress Equation Options......................... 293
Stress Mode............................................ 277
Stress Model Options ............................. 274
Stress Parameters .................................. 292
Stress Solver Control .............................. 292
Stress Tab....................................... 269, 274
Stress Tab Analysis ................................ 275
Stress/Strain ........................................... 303
Structural Analysis .................................. 269
Structural Analysis Module ..................... 303
Structural Damping................................. 276
Structure ......................................... 241, 243
STS 204, 207, 209, 210, 211, 212, 213, 214,
216
appear ................................................. 207
Radiation Window-Emissivity Settings 207
STS Method.................................... 204, 207
Radiation Model Window .................... 204
subgrid ...................................... 91, 126, 150
mixing.................................................. 150
Sub-grid Linear Eddy Model ................... 161
Subgrid Scale.......................................... 107
Sub-iteration............................................ 204
sublayer ............ 79, 80, 83, 84, 85, 102, 105
sublayers................................................... 79
Substrate Material Name........................ 216
SubType.................................................. 289
SubTypes.................................................. 37
sum................................................. 117, 147
one-dimensional .................................. 147
turbulent .............................................. 117
SUMMATION.......................................... 166
Sundaram............................................... 120
Supersonic Flows.............................. 54, 228
Surface Pressure Fluctuations................ 120
Numerical Simulation .......................... 120
Surface Property..................................... 216
Surface Reaction 54, 77, 123, 155, 166, 173
Surface Reaction Manager ............. 126, 166
launch.................................................. 166
Surface Reflection Characteristics.......... 216
surface. ................................................... 120
surface-adsorbed.................................... 126
involving .............................................. 126
Surface-to-Surface. 185, 186, 199, 204, 212,
215, 216
332
Index
Sutherlands Law.......................................25
Swirl Model ................................................16
Symmetry.................................178, 282, 288
choosing...............................................288
T
Tangential Vectors...................................290
Target Surface Parameters .....................289
Target Surfaces .......................................289
TauMax....................................................302
tells ..........................................................216
Radiation Module.................................216
Temperature ......................................25, 163
function.................................................163
Temperature Intervals .............................161
number .................................................161
Temperature Limits....................................61
temperature-dependent ...........................128
term..................................................189, 241
emittance..............................................189
Test Filter Kinetic Energy ........................118
tet .................... 105, 154, 176, 200, 244, 269
Tetrahedral, Prismatic .............................303
tetrahedrals......................................241, 268
TFI ...........................................................241
compared .............................................241
TFI if.........................................................241
TFI scheme..............................................241
The key....................................................102
Thermal....................................................303
Thermal Energy Laboratory Department .173
Mechanical Engineering.......................173
Thermal Field Calculations........................56
Thermal Gap Model ...................................72
Thermal Radiation ...................................221
Fast Monte Carlo Scheme ...................221
Thermal Radiation Heat Transfer ............221
Thermal Stresses.....................................314
thermo-diffusion.......................................163
Thermo-diffusion button...........................163
checking...............................................163
thermoelastic .................. 256, 262, 277, 291
activated...............................................277
value.....................................................291
Thermoelastic Analysis....................256, 314
Gas Turbine Atomizer ..........................256
Thermoelasticity.......................................262
THigh .........................................................66
Thin-Wall Boundary Conditions.................34
Three Dimensional Radiative Heat-Transfer
.............................................................221
three-dimensional ....................................150
Time Accuracy.........................................274
Time Step Frequency ..............................297
Time Steps...............................................297
Ending..................................................297
Starting.................................................297
Tools->Utilities ........................................ 309
use....................................................... 309
Total Damping Included.......................... 265
Mass Proportional Damping................ 265
Total Enthalpy........................................... 75
Total Pairs............................................... 289
Total Point Loads.................................... 285
Total Pressure........................................... 43
Total Scalars........................... 177, 178, 180
Total Temperature .................................... 75
Total Void Fraction.................................. 238
Total_Volume_Fraction........................... 238
Transfer Calculations................................ 56
Transfer Module... 56, 57, 58, 59, 60, 61, 66,
67, 71, 72, 74, 75, 77
transfinite ........................................ 241, 269
uses..................................................... 269
Transfinite Interpolation .................. 241, 248
Transient Computation ........................... 316
Transient Results.................................... 297
Translation .............................................. 255
transmissibility......................................... 188
Transonic Flows...................................... 228
Transparency Characteristics................. 216
Transport Mechanisms ........................... 174
Different Types.................................... 174
Triangles, Quadrilaterals......................... 303
Triplet Map Illustration ............................ 150
turbo-machinery...................................... 222
Turbomachinery...................................... 225
turbo-pumps............................................ 222
Turbulence56, 102, 106, 108, 114, 120, 231,
233
Theory-Effect....................................... 231
use............................................... 120, 233
Turbulence Combustion Interaction........ 141
Turbulence Intensity ............................... 111
Turbulence Modeling .............................. 120
CFD..................................................... 120
Development ....................................... 120
Turbulence Module.... 78, 79, 80, 82, 83, 84,
85, 86, 88, 91, 101, 102, 105, 106, 107,
108, 109, 110, 111, 112, 113, 114, 115,
116, 117, 118, 119, 120
Describes ............................................ 105
Turbulence Module Related Graphical
Output.................................................. 117
Turbulence Quantity ............................... 109
turbulence Reynolds ............................... 102
Turbulence Tab....................... 106, 107, 111
Turbulence Theory.................................... 78
turbulence/chemistry....................... 124, 125
turbulence-chemistry ...................... 150, 152
resolves............................................... 152
turbulence-combustion ........................... 126
333
334
Turbulence-Combustion Interaction-
Application............................................152
Large Eddy Simulation.........................152
Turbulence-Combustion Interaction-In Situ
Adaptive Tabulation .............................148
Turbulence-Combustion Interaction-
Operator Splitting.................................147
Turbulence-Combustion Interaction-Subgrid
Linear Eddy Model ...............................150
Turbulent Dissipation Rate ......109, 114, 117
Turbulent Flow.........................................173
Turbulent Flow Past...........................54, 120
Backward Facing Step...................54, 120
Turbulent Flows. ......................................120
Turbulent Intensities ................................118
Turbulent Kinetic Energy .........109, 114, 117
Turbulent Mixing................. 54, 77, 120, 173
Propane........................... 54, 77, 120, 173
Turbulent Reacting Flows........................173
Linear Eddy Sub-Grid Model................173
Turbulent Reactive Flows........................120
Free Simulations ..................................120
Turbulent Scalar Transport......................173
Linear Eddy Model ...............................173
Turbulent Viscosity ..................102, 117, 119
Turbulent Wall-Bounded Flows ...............120
Localized Dynamic Subgrid Scale Model
..........................................................120
Two Fluid Modules...................................154
Two-dimensional..............................147, 276
values...................................................147
two-dimensional PDF ..............................142
Two-Fluid.........................................232, 233
two-layer-based .......................................102
U
ubound.......................................................67
ucond.........................................................61
ucph_from_t...............................................61
UDEFORM_BC........................240, 246, 255
udens.........................................................25
udiff_scalar ..............................................177
UGRID.....................................................245
implement.............................................245
ui 241
underhood............................................... 185
under-relaxation..... 115, 116, 168, 182, 237,
294
Unique Filename..................................... 297
Unique Simulation................................... 297
unreacted........................................ 133, 136
unsqueezed ............................................ 303
uouter...................................................... 314
V
Vandriest Dumping ................................. 107
Vapor Mass............................................. 238
Velocity ................................................... 102
velocity sensitized................................... 102
pressure .............................................. 102
Vibration Control ..................................... 316
Damping Applications ......................... 316
Viscosity.................................... 25, 102, 116
Viscosity Evaluation Methods................... 25
viscosity-affected .................................... 102
viscosity-affected region ......................... 102
VOF................................. 123, 232, 233, 255
Void Fraction................................... 231, 238
Volume Conditions. 25, 57, 61, 66, 108, 162,
167, 177, 209, 210, 211, 212, 216, 235,
239, 241, 243, 245, 269, 277, 278, 282,
309
Volume Flow Rate................................... 223
Volume Reaction..................................... 159
VonMises Stress..................................... 302
Vorticity Criteria......................................... 43
W
Wall Functions ........................................ 102
Wall Heat Sources ........................ 57, 67, 72
Wavelengths ........................... 206, 208, 211
Wolfstein ................................................. 102
Y
YPLUS.................................. 80, 84, 85, 119
yv ............................................................ 102
Z
Zeroth Order Approximation ................... 161
Zone........................................ 241, 243, 248

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is the length scale and is computed from

is called the monochromatic hemispherical emissivity. The emissivity and

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