Analysis Results

General Information

Analysis date 2019/03/15 17:06:31

Sample name Untreated Measurement date 2019/03/15 10:54:03
File name Untreated.raw Operator UiTM Mechanical
Comment

Measurement profile

1500 Meas. data:Untreated

Intensity (counts)

1000

500

0
Intensity (counts)

200
100
0
-100
-200

40 60 80 100 120

2-theta (deg)

-1-
Measurement conditions

X-Ray 40 kV , 40 mA Scan speed / Duration time 2.0000 deg./min.

Goniometer Step width 0.0500 deg.
Attachment - Scan axis 2Theta/Theta
Filter Scan range 30.0000 - 120.0000 deg.
CBO selection slit BB Incident slit 1/2 deg.
Diffrected beam mono. Fixed Monochro.(U4) Length limiting slit -
Detector Scintillation counter Receiving slit #1 open
Scan mode CONTINUOUS Receiving slit #2 open

-2-
Qualitative analysis results

Phase name Formula Figure of merit Phase reg. detail DB card number
Iron, syn Fe 1.124 ICDD (PDF-2 Release 2015 RDB) 00-006-0696
410-l stainless steel, ferrite Fe - Cr 3.051 ICDD (PDF-2 Release 2015 RDB) 00-054-0331
austenite, 304-stainless steel Fe Cr0.29 Ni0.16 C0.06 2.980 ICDD (PDF-2 Release 2015 RDB) 00-033-0397
austenite Cr - Ni - Fe - C 3.066 ICDD (PDF-2 Release 2015 RDB) 00-031-0619
alpha-ferrite Fe3 C 2.035 ICDD (PDF-2 Release 2015 RDB) 00-003-0411
gamma-Fe, austenite Fe 2.750 ICDD (PDF-2 Release 2015 RDB) 00-052-0513
Austenite, syn Fe0.94 C0.06 3.274 ICDD (PDF-2 Release 2015 RDB) 01-074-5520

Phase name Formula Space group Phase reg. detail DB card number
Iron, syn Fe 229 : Im-3m ICDD (PDF-2 00-006-0696
410-l stainless steel, ferrite Fe - Cr 229 : Im-3m Release 2015 RDB)
ICDD (PDF-2 00-054-0331
austenite, 304-stainless steel Fe Cr0.29 Ni0.16 C0.06 225 : Fm-3m Release 2015 RDB)
ICDD (PDF-2 00-033-0397
austenite Cr - Ni - Fe - C 225 : Fm-3m Release
ICDD 2015 RDB)
(PDF-2 00-031-0619
alpha-ferrite Fe3 C 62 : Pnma Release
ICDD 2015 RDB)
(PDF-2 00-003-0411
gamma-Fe, austenite Fe 225 : Fm-3m Release
ICDD 2015 RDB)
(PDF-2 00-052-0513
Austenite, syn Fe0.94 C0.06 225 : Fm-3m Release 2015 RDB)
ICDD (PDF-2 01-074-5520
Release 2015 RDB)

-3-
 1500 Meas. data:Untreated
Iron, syn, Fe, 00-006-0696
410-l stainless steel, ferrite, Fe - Cr, 00-054-
Intensity (counts)

0331
1000 austenite, 304-stainless steel, Fe Cr0.29 Ni0
.16 C0.06, 00-033-0397
austenite, Cr - Ni - Fe - C, 00-031-0619
alpha-ferrite, Fe3 C, 00-003-0411
500 gamma-Fe, austenite, Fe, 00-052-0513
Austenite, syn, Fe0.94 C0.06, 01-074-5520

0
Iron, syn, Fe, 00- 006- 0696

410- l stainless steel, ferrite, Fe - Cr, 00- 054- 0331

austenite, 304- stainless steel, Fe Cr0.29 Ni0.16 C0.06, 00- 033- 0397

austenite, Cr - Ni - Fe - C, 00- 031- 0619

alpha- ferrite, Fe3 C, 00- 003- 0411

gamma- Fe, austenite, Fe, 00- 052- 0513

Austenite, syn, Fe0.94 C0.06, 01- 074- 5520

40 60 80 100 120

2-theta (deg)

-4-
Peak list

No. 2-theta(deg) d(ang.) Height(counts) FWHM(deg) Int. I(counts deg) Int. W(deg) Asym. factor
1 42.243(15) 2.1376(7) 100(10) 0.33(4) 48(3) 0.48(7) 2.9(15)
2 44.166(9) 2.0489(4) 1082(33) 0.246(8) 382(6) 0.353(16) 0.86(13)
3 45.073(14) 2.0097(6) 409(20) 0.427(16) 251(5) 0.61(4) 1.14(15)
4 51.24(2) 1.7813(8) 284(17) 0.45(3) 193(3) 0.68(5) 1.8(6)
5 64.90(11) 1.436(2) 24(5) 0.77(10) 24(2) 1.0(3) 0.8(5)
6 75.20(2) 1.2625(3) 117(11) 0.50(3) 81(2) 0.69(8) 2.4(7)
7 82.30(10) 1.1706(12) 39(6) 0.83(10) 45(3) 1.1(3) 0.9(5)
8 90.99(4) 1.0800(4) 143(12) 0.72(3) 129(3) 0.90(10) 1.8(5)
9 96.32(4) 1.0339(3) 79(9) 0.50(6) 55(2) 0.70(11) 1.5(6)
10 98.75(17) 1.0149(13) 14(4) 0.95(13) 15(2) 1.0(4) 0.8(6)

-5-
Parameters used for WPPF
Profile parameters

Common parameter Background Data Untreated

Function name B-spline
param0 40.969068032327428
param1 23.174823899664148
param2 21.583016283806483
param3 16.575317767186988
param4 10.795519645910046
param5 16.029506987017811
param6 10.315976389048403
param7 13.694393470536212
param8 15.988949600333832
param9 12.243010954659088
param10 15.637995849014134
param11 12.821370828022509
param12 13.197302019846036
param13 10.029829170493986
param14 26.173992183449993
param15 26.628981330421396
param16 13.431617999970845
node0 30
node1 45
node2 52.700000000000003
node3 58.5
node4 64.299999999999997
node5 69.75
node6 75.200000000000003
node7 80.650000000000006
node8 86.25
node9 94.650000000000006
node10 100.95
node11 107.25
node12 111.5

-6-
 node13 115.75
node14 120
Common parameter Peak shift
Function name Shift axial displacement
param0 0
param1 0
param2 0
Iron, syn Scale factor s 1.4(3)
FWHM U 0.5838
V 0.2248
W 0.0001
Asym. factor A0 0.4827
A1 0.9083
Decay rate factor etaL0/mL0 1.0208
etaL1/mL1 -0.1869
etaL2/mL2 0.0000
etaH0/mH0 0.7134
etaH1/mH1 -0.1869
etaH2/mH2 0.0000
Preferred orientationMarch-Dollase h 0
k 0
l 0
March coefficient 1.000000
410-l stainless steel, ferrite Scale factor s 0.09(15)
FWHM U 0.8517
V 0.1000
W 0.0001
Asym. factor A0 0.5352
A1 1.0361
Decay rate factor etaL0/mL0 0.4634
etaL1/mL1 0.4416
etaL2/mL2 0.0000
etaH0/mH0 0.1282
etaH1/mH1 0.4416
etaH2/mH2 0.0000
Preferred orientationMarch-Dollase h 0
k 0

-7-
 l 0
March coefficient 1.000000
austenite, 304-stainless steel Scale factor s 4.0(5)
FWHM U 0.0144
V 0.3951
W 0.0003
Asym. factor A0 0.7421
A1 0.1701
Decay rate factor etaL0/mL0 0.5126
etaL1/mL1 0.0000
etaL2/mL2 0.0000
etaH0/mH0 1.3643
etaH1/mH1 -0.2434
etaH2/mH2 0.0000
Preferred orientationMarch-Dollase h 0
k 0
l 0
March coefficient 1.000000
austenite Scale factor s 0.03(6)
FWHM U 0.0144
V 0.3951
W 0.0003
Asym. factor A0 0.7421
A1 0.1701
Decay rate factor etaL0/mL0 0.5126
etaL1/mL1 0.0000
etaL2/mL2 0.0000
etaH0/mH0 1.3643
etaH1/mH1 -0.2434
etaH2/mH2 0.0000
Preferred orientationMarch-Dollase h 0
k 0
l 0
March coefficient 1.000000
alpha-ferrite Scale factor s 0.010(10)
FWHM U 0.3388
V 0.0998

-8-
 W 0.0001
Asym. factor A0 0.0753
A1 0.0000
Decay rate factor etaL0/mL0 1.1487
etaL1/mL1 -0.4918
etaL2/mL2 0.0000
etaH0/mH0 1.0016
etaH1/mH1 -0.1195
etaH2/mH2 0.0000
Preferred orientationMarch-Dollase h 0
k 0
l 0
March coefficient 1.000000
gamma-Fe, austenite Scale factor s 1
FWHM U 0.0000
V 0.0000
W 0.0150
Asym. factor A0 0.6300
A1 0.0140
Decay rate factor etaL0/mL0 0.5000
etaL1/mL1 0.5000
etaL2/mL2 0.0000
etaH0/mH0 0.7000
etaH1/mH1 0.7000
etaH2/mH2 0.0000
Preferred orientationMarch-Dollase h 0
k 0
l 0
March coefficient 1.000000
Austenite, syn Scale factor s 0.01(5)
FWHM U 0.0144
V 0.3951
W 0.0003
Asym. factor A0 0.7421
A1 0.1701
Decay rate factor etaL0/mL0 0.5126
etaL1/mL1 0.0000

-9-
 etaL2/mL2 0.0000
etaH0/mH0 1.3643
etaH1/mH1 -0.2434
etaH2/mH2 0.0000
Preferred orientationMarch-Dollase h 0
k 0
l 0
March coefficient 1.000000

- 10 -
Structure parameters

Data set name Phase Name Element x y z Occupancy Temperature factor

Data set name Rwp Rp Re S Chi^2 Maximum shift/e.s.d.

Untreated 0 0 0 0 0 0

- 11 -
Lattice constants
Angular correction

No correction

Analysis results

Data set name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg)

Untreated 2.852911 2.852911 2.852911 90.000000 90.000000 90.000000
Untreated 2.849138 2.849138 2.849138 90.000000 90.000000 90.000000
Untreated 3.574595 3.574595 3.574595 90.000000 90.000000 90.000000
Untreated 3.576767 3.576767 3.576767 90.000000 90.000000 90.000000
Untreated 4.261717 5.013147 6.731819 90.000000 90.000000 90.000000
Untreated 3.659900 3.659900 3.659900 90.000000 90.000000 90.000000
Untreated 3.570556 3.570556 3.570556 90.000000 90.000000 90.000000

Phase name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg) V(A^3)

Iron, syn 2.852911 2.852911 2.852911 90.000000 90.000000 90.000000 23.220123
410-l stainless steel, 2.849138 2.849138 2.849138 90.000000 90.000000 90.000000 23.128128
ferrite
austenite, 304- 3.574595 3.574595 3.574595 90.000000 90.000000 90.000000 45.675203
stainless
austenite steel 3.576767 3.576767 3.576767 90.000000 90.000000 90.000000 45.758523
alpha-ferrite 4.261717 5.013147 6.731819 90.000000 90.000000 90.000000 143.822694
gamma-Fe, 3.659900 3.659900 3.659900 90.000000 90.000000 90.000000 49.023875
austenite
Austenite, syn 3.570556 3.570556 3.570556 90.000000 90.000000 90.000000 45.520553

- 12 -
 3
Lattice constants (ang.)

2.5
2
1.5
1
0.5
0
Untreated Untreated
Data set

a b
c

- 13 -
Crystallinity

Data set name Crystallinity(%)

CrystallinityGraph.emf

- 14 -
Crystallite size and lattice strain
Williamson-Hall method

Data set name Crystallite size(A) Strain(%)

Untreated 166(73) 0.3(2)
Untreated - -
Untreated - -
Untreated - -
Untreated - -
Untreated - -
Untreated - -

Phase name Crystallite size(A) Distribution RSD Strain(%) Distribution type

Iron, syn 166(73) - 0.3(2) -
410-l stainless steel, - - - -
ferrite
austenite, 304- - - - -
stainless
austenite steel - - - -
alpha-ferrite - - - -
gamma-Fe, austenite - - - -
Austenite, syn - - - -

- 15 -
 0.0008
0.0007
Beta^2/(tan(theta))^2 (rad.^2)

0.0006
0.0005
0.0004
0.0003
0.0002
0.0001
0
0 0.01 0.02 0.03 0.04 0.05 0.06 0.07
Beta/tan(theta)/sin(theta) (rad.)

- 16 -
Quantitative analysis results (RIR)

Phase name Content(%)

Iron, syn 0.000000
410-l stainless steel, ferrite 51(125)
austenite, 304-stainless steel 0.000000
austenite 0.000000
alpha-ferrite 0.000000
gamma-Fe, austenite 49(41)
Austenite, syn 1(3)

- 17 -
Untreated

0 20 40 60 80
Wt(%)

Iron, syn
410-l stainless steel, ferrite
austenite, 304-stainless steel
austenite
alpha-ferrite
gamma-Fe, austenite
Austenite, syn
Unknown

- 18 -
Quantitative analysis results (WPPF)

- 19 -
Quantitative analysis results (standard addition method)
Calibration data

Untreated

0 20 40 60 80
Wt(%)

Iron, syn
410-l stainless steel, ferrite
austenite, 304-stainless steel
austenite
alpha-ferrite
gamma-Fe, austenite
Austenite, syn
Unknown

- 20 -
Quantitative analysis results (External Standard method)
Calibration data

Untreated

0 20 40 60 80
Wt(%)

Iron, syn
410-l stainless steel, ferrite
austenite, 304-stainless steel
austenite
alpha-ferrite
gamma-Fe, austenite
Austenite, syn
Unknown

- 21 -
Quantitative analysis results (internal standard method)
Calibration Data

Untreated

0 20 40 60 80
Wt(%)

Iron, syn
410-l stainless steel, ferrite
austenite, 304-stainless steel
austenite
alpha-ferrite
gamma-Fe, austenite
Austenite, syn
Unknown

- 22 -
Stress
Stress constants

Analytical conditions

Analysis results

StressGraph.emf

- 23 -
Cluster analysis results
Dendrogram

ClusterDendrogram.emf

Measurement profiles

1500 Meas. data:Untreated

Intensity (counts)

1000

500

0
Intensity (counts)

200
100
0
-100
-200

40 60 80 100 120

2-theta (deg)

Cluster

Sample well

- 24 -
ClusterSamplePlate.emf

PCA view
ClusterPCA3DGraph.emf
Eigenvalue graph
ClusterPCAGraph.emf

- 25 -
Crystallite size distribution analysis results
Crystallite size distribution

Crystallite size distribution graph

1.0

0.8
Density function

0.6

0.4

0.2

0.0

0.0 0.2 0.4 0.6 0.8 1.0

Crystallite size(ang.)

- 26 -
Crystal structure analysis results
Indexing

Phase name Formula Figure of merit Phase reg. detail DB card number
Iron, syn Fe 1.124 ICDD (PDF-2 Release 2015 RDB) 00-006-0696
410-l stainless steel, ferrite Fe - Cr 3.051 ICDD (PDF-2 Release 2015 RDB) 00-054-0331
austenite, 304-stainless steel Fe Cr0.29 Ni0.16 C0.06 2.980 ICDD (PDF-2 Release 2015 RDB) 00-033-0397
austenite Cr - Ni - Fe - C 3.066 ICDD (PDF-2 Release 2015 RDB) 00-031-0619
alpha-ferrite Fe3 C 2.035 ICDD (PDF-2 Release 2015 RDB) 00-003-0411
gamma-Fe, austenite Fe 2.750 ICDD (PDF-2 Release 2015 RDB) 00-052-0513
Austenite, syn Fe0.94 C0.06 3.274 ICDD (PDF-2 Release 2015 RDB) 01-074-5520

Quantitative analysis results

Lattice information
Phase name a(A) b(A) c(A) alpha(deg) beta(deg) gamma(deg) V(A^3)
Iron, syn 2.852911 2.852911 2.852911 90.000000 90.000000 90.000000 23.220123
410-l stainless steel, 2.849138 2.849138 2.849138 90.000000 90.000000 90.000000 23.128128
ferrite
austenite, 304- 3.574595 3.574595 3.574595 90.000000 90.000000 90.000000 45.675203
stainless
austenite steel 3.576767 3.576767 3.576767 90.000000 90.000000 90.000000 45.758523
alpha-ferrite 4.261717 5.013147 6.731819 90.000000 90.000000 90.000000 143.822694
gamma-Fe, 3.659900 3.659900 3.659900 90.000000 90.000000 90.000000 49.023875
austenite
Austenite, syn 3.570556 3.570556 3.570556 90.000000 90.000000 90.000000 45.520553

Phase name Space group Z Z' Calc. density(g/cm^3)

Iron, syn 229 : Im-3m 2 0.021 7.987
410-l stainless steel, ferrite 229 : Im-3m 2 0.021 7.959
austenite, 304-stainless steel 225 : Fm-3m 4 0.021 11.784
austenite 225 : Fm-3m 0.389999985694 0.000 2.527
alpha-ferrite 62 : Pnma 88525
4 0.500 8.292
gamma-Fe, austenite 225 : Fm-3m 4 0.021 7.566
Austenite, syn 225 : Fm-3m 4 0.021 7.765

Structure determination

- 27 -
Refinement
Measurement range: 30.0000-120.0000deg Refinement range: 30.0000-120.0000deg (0.89 A)
Number of refined parameters: 0
Phase name Atomic coords # of indep. reflns
Iron, syn - 5
410-l stainless steel, ferrite - 5
austenite, 304-stainless steel - 6
austenite - 6
alpha-ferrite - 120
gamma-Fe, austenite - 6
Austenite, syn - 6

Rwp = - S=-

- 28 -
Crystal structure
CrystalGraph.emf

- 29 -