Module 1
(For M G University students prior to 2010 admission)
Prepaired by
Sajeev Abraham
Department of Mechanical Engineering
SAINTGITS College of Engineering
Pathamuttom, Kottayam,Kerala,India
E mail:sajeevabraham@hotmail.com
Material science is the investigation of the relationship among processing, structure, properties,
and performance of materials
Structure:
At the atomic level: arrangement of atoms in different ways. (Gives different properties
for graphite than diamond both forms of carbon.)
At the microscopic level: arrangement of small grains of material that can be identified
by microscopy. (Gives different optical properties to transparent vs. frosted glass.)
Properties are the way the material responds to the environment. For instance, the mechanical,
electrical and magnetic properties are the responses to mechanical, electrical and magnetic
forces, respectively. Other important properties are thermal (transmission of heat, heat capacity),
optical (absorption, transmission and scattering of light), and the chemical stability in contact
with the environment (like corrosion resistance).
Processing of materials is the application of heat (heat treatment), mechanical forces, etc. to
affect their microstructure and, therefore, their properties.
To be able to select a material for a given use based on considerations of cost and
performance.
To understand the limits of materials and the change of their properties with use.
To be able to create a new material that will have some desirable properties.
All engineering disciplines need to know about materials. Even the most "immaterial", like
software or system engineering depend on the development of new materials, which in turn alter
the economics, like software-hardware trade-offs. Increasing applications of system engineering
are in materials manufacturing (industrial engineering) and complex environmental systems.
TYPES OF MATERIALS
Materials are classified as follows.
Metals: valence electrons are detached from atoms, and spread in an 'electron sea' that "glues"
the ions together. Metals are usually strong, conduct electricity and heat well and are opaque to
light (shiny if polished). Metals have high strength, high stiffness, high melting point and have
good ductility Examples: aluminum, steel, brass, gold.
Semiconductors: the bonding is covalent (electrons are shared between atoms). Their electrical
properties depend extremely strongly on minute proportions of contaminants. They are opaque to
visible light but transparent to the infrared. Examples: Si, Ge, GaAs.
Ceramics: atoms behave mostly like either positive or negative ions, and are bound by Coulomb
forces between them. They are usually combinations of metals or semiconductors with oxygen,
nitrogen or carbon (oxides, nitrides, and carbides). They are brittle, high melting temperature,
low density, high strength, stiffness, hardness, wear resistance, and corrosion resistance. Many
ceramics are good electrical and thermal insulators. Examples: glass, porcelain, many minerals.
Polymers: are bound by covalent forces and by weak van der Waals forces, and usually based
on H, C and other non-metallic elements. Polymers are useful because they are lightweight, are
corrosion resistant, are easy to process at low temperatures, and are generally inexpensive. One
of the distinct properties of polymers is that they are poor conductors of electricity and heat,
which makes them good insulators. Examples: plastics (nylon, Teflon, polyester) and rubber.
Other categories are not based on bonding.
Composites: made of different materials in intimate contact (example: fiberglass, concrete,
wood) to achieve specific properties.
Biomaterials:Can be any type of material that is biocompatible and used, for instance, to
replace human body parts.
TYPES OF SOLIDS
Crystallitne solid
Atoms self-organize in a regular and periodic arrangement of atoms or molecules in three
dimensions
Amorphous Solids :
Lacks a systematic atomic arrangement.
there is no long-range order. when a melt or a solution is cooled rapidly we get an amorphous
solid Eg. glass
No sharp melting point (because all bonds are not strong.)
isotropic
CRYSTAL STRUCTURE
A regular and repetitious pattern in which atoms of a crystalline material arrange them selves is
known as the crystal structure
A crystal is a repeating array. In describing this structure, we must distinguish between the
pattern of repetition (the lattice type) and what is repeated (the unit cell). The most fundamental
property of a crystal lattice is its symmetry. In three-dimensions, unit cells stack like boxes,
filling the space, making the crystal.
UNIT CELL
The unit cell is the smallest structural unit or building block that can describe the the crystal
structure. Repetition of the unit cell generates the entire crystal.Different choices of unit cells
possible, generally choose parallelepiped unit cell with highest level of symmetry Example: 2D
honeycomb net can be represented by translation of two adjacent atoms that form a unit cell for
this 2D crystalline structure
SPACE LATTICE or CRYSTAL LATTICE
Space lattice is defined as an infinite array of points in three dimensions in which every point has
surroundings identical to those of every other point in the array. If the centers of the points are
considered to be connected together by straight lines, then the system will be obtained
comprising a great number of equal parallelepipeds. The three dimensional array formed by the
unit cells of a crystal is called space lattice.
When a crystalline solid starts to form from the molten or gaseous state, these unit cells will tend
to stack in a three-dimensional array, with each cell perfectly aligned, and they will form a
crystal. If crystals are growing in a melt at the same time, the crystals will eventually meet and
form grains. The junction of the grains is called grain boundaries.
Different choices of unit cells possible, generally choose parallelepiped unit cell with highest
level of symmetry.
CRYSTAL SYSTEMS
The crystal systems are a grouping of crystal structures according to the axial system used to
describe their lattice. Each crystal system consists of a set of three axes in a particular
geometrical arrangement. There are seven unique crystal systems.(Refer page 7)
The hard spheres or ion cores touch one another across a face diagonal
the cube edge length, a= 4R/2
The coordination number, CN = the number of closest neighbors to
which an atom is bonded = number of touching atoms, CN = 12
Number of atoms per unit cell, n = 4. (For an atom that is shared with
m adjacent unit cells, we only count a fraction of the atom, 1/m). In FCC
unit cell we have:
6 face atoms shared by two cells: 6 x 1/2 = 3
8 corner atoms shared by eight cells: 8 x 1/8 = 1
The hard spheres touch one another along cube diagonalthe cube edge length, a= 4R/3
The coordination number, CN = 8
Number of atoms per unit cell, n = 2
Center atom (1) shared by no other cells: 1 x 1 = 1
8 corner atoms shared by eight cells: 8 x 1/8 = 1
Six atoms form regular hexagon, surrounding one atom in center. Another plane is situated
halfway up unit cell (c-axis), with 3 additional atoms situated at interstices of hexagonal
(close-packed) planes.
Unit cell has two lattice parameters a and c. Ideal ratio c/a = 1.633
The coordination number, CN = 12 (same as in FCC)
Number of atoms per unit cell, n = 6.
3 mid-plane atoms shared by no other cells: 3 x 1 = 3
12 hexagonal corner atoms shared by 6 cells: 12 x 1/6 = 2
2 top/bottom plane center atoms shared by 2 cells: 2 x 1/2 = 1
Atomic packing factor, APF = 0.74 (same as in FCC)
All atoms are equivalent
Simple Cubic Structures
the cube edge length, a= 2R
The coordination number, CN = 4+2=6
Number of atoms per unit cell, n = 1
8 corner atoms shared by eight cells: 8 x 1/8 = 1
Atomic packing factor, APF = 0.52
HCP: ABABAB...
FCC: Stacking Sequence ABCABCABC
FCC: ABCABCABC
...
Third plane is placed above the holes of the first plane not covered by the second
plane
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Some materials may exist in more than one crystal structure, this is called
polymorphism. If the material is an elemental solid, it is called allotropy.An
example of allotropy is carbon, which can exist as diamond, graphite, and
amorphous carbon.
Pure, solid carbon occurs in three crystalline forms diamond, graphite; and large,
hollow fullerenes. Two kinds of fullerenes are shown here: buckminsterfullerene
(buckyball) and carbon nanotube
SINGLE CRYSTALS AND POLYCRYSTALLINE MATERIALS
Single crystal: atoms are in a repeating or periodic array over the entire extent of
the material
Polycrystalline material: comprised of many small crystals or grains. The grains
have different crystallographic orientation. There exist atomic mismatch within the
regions where grains meet. These regions are called grain boundaries.
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ANISOTROPY
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DEFECTS IN SOLIDS
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TYPES OF DEFECTS
Point defects:
Point defects are lattice errors at isolated lattice points. As the name
implies, they are imperfect point like regions in the crystal and ,therefore
they are referred to as zero dimensional imperfections.
Vacancies are not only present as a result of solidification but can be produced by
raising the temperature or by irradiation with fast moving nuclear particles.
Frenkel defect :- an ion displaced from the lattice site into an interstitial
site. If the charge neutrality is maintained by having an ion in an interstitial
position, the pair constitutes a Frenkel defect.
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Impurities Foreign atoms either occupy lattice sites from which the
regular atoms are missing or they occupy positions between the atoms of
the ideal crystal.These impurity atoms are responsible for the
functioning of most semiconductor devices.
Impurities two types-interstitial & substitutional impurities
Interstitial impurity is a smallsized atom occupying an interstice or
space between the regularly positioned atoms.
Substitutional impurity is created when a foreign atom substitutes for or
places a parent atom in the lattice. In brass, zinc is a substitutional atom
in the copper lattice.
DislocationsLinear Defects
Dislocations are abrupt changes in the regular ordering of atoms, along a line (dislocation line) in
the solid. A dislocation may be defined as a disturbed region between two perfect parts of a
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crystal. Dislocation is responsible for the phenomenon of slip, by which most metals deform
plastically.
Dislocations can be observed in crystalline materials using electron-microscopic techniques.
Virtually all crystalline materials contain some dislocations that were introduced during
solidification, during plastic deformation, and as consequence of thermal stresses that result from
rapid cooling.
The importance of dislocations to the metal user is that dislocation interactions within a metal are
a primary means by which metals are deformed and strengthened. When metals deform by
dislocation motion, the more barriers the dislocations meet, the stronger the metal.
Two simple types of dislocation are:
Edge dislocation
Screw dislocation
Edge dislocation
Edge dislocations occur when an extra plane is inserted. The dislocation line is at the end of the
plane. In an edge dislocation, the Burgers vector is perpendicular to the dislocation line.
The edge defect can be easily visualized as an extra half-plane of atoms in a lattice. The
dislocation is called a line defect because the locus of defective points produced in the lattice by
the dislocation lie along a line. This line runs along the top of the extra half-plane. The interatomic bonds are significantly distorted only in the immediate vicinity of the dislocation line.
Edge dislocation
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They are characterized by the Burgers vector, found by doing a loop around the dislocation line
and noticing the extra interatomic spacing needed to close the loop. The Burgers vector in metals
points in a close packed direction.
Screw dislocation
Screw dislocations result when displacing planes relative to each other through shear. In this
case, the Burgers vector is parallel to the dislocation line.
Burgers Vector
To describe the magnitude and the direction of the main lattice distortion(strain
component of dislocation) caused by a dislocation, we use Burgers vector b. To
find the Burgers vector, we should make a circuit from from atom to atom counting
the same number of atomic distances in all directions. If the circuit encloses a
dislocation it will not close. The vector that closes the loop is the Burgers vector b.
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In an ideal crystal
Dislocation Line:
A dislocation line is the boundary between slip and no slip regions of a crystal
Burgers vector:
The magnitude and the direction of the slip is represented by a vector b called the Burgers
vector,
Line vector
A unit vector t tangent to the dislocation line is called a tangent vector or the line vector.
Edge dislocation
Screw Dislocation
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A screw dislocation moves (in the slip plane) in a direction to the Burgers vector
(slip direction)
ine
w
re
Di
nL
tio
ca
o
l
s
t
Sc
b || t
b
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Grain Boundaries
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TWIN BOUNDARIES
This gives rise to shape memory metals, which can recover their original shape if heated
to a high temperature. Shape-memory alloys are twinned and when deformed they
untwin. At high temperature the alloy returns back to the original twin configuration and
restore the original shape.Twins may come into existence during the growth of the
crystal or they may arise during deformation of materials.Twins formed during the
process of recrystallisation are annealing twins; and those
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DIFFUSION IN SOLIDS
Inhomogeneous materials can become homogeneous by diffusion. For an active diffusion to occur, the
temperature should be high enough to overcome energy barriers to atomic motion.
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To jump from lattice site to lattice site, atoms need energy to break bonds
with neighbors, and to cause the necessary lattice distortions during jump.
This energy comes from the thermal energy of atomic vibrations.
Materials flow (the atom) is opposite the vacancy flow direction.
Interstitial diffusion
Diffusion Flux
The flux of diffusing atoms, J, is used to quantify how fast diffusion occurs. The flux is
defined as either in number of atoms diffusing through unit area and per unit time (e.g.,
atoms/m2-second) or in terms of the mass flux - mass of atoms diffusing through unit
area per unit time, (e.g., kg/m2-second).
J = M / At (1/A) (dM/dt) (Kg m-2 s-1)
where M is the mass of atoms diffusing through the area A during time t.
STEADY-STATE DIFFUSION
Steady state diffusion: the diffusion flux does not change with time.
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The concentration gradient is often called the driving force in diffusion (but it is
not a force in the mechanistic sense).The minus sign in the equation means that
diffusion is down the concentration gradient
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Applications of diffusion
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