ASET

Material Science
By
Dr. Sumit Gupta
Assistant Professor
Deptt. of Mechanical Engg.
 Course Objective ASET

Materials Science deals with the structure and properties of all materials,
which have engineering applications. Material Engineering is essential for
designing, producing, examining and testing materials as diverse as metallic
engineering alloys, semiconductors and superconductors, ceramics, plastics
and composites. This course will help students understand the properties and
behavior of different types of materials and their applications.

Pre-requisites: Basic Basic Concepts of Physics, General Chemistry and Mathematics

(Differential Equations, Integration and Calculus).
 Student Learning Outcomes ASET
On completion of the course the student will be able to:

• Demonstrate knowledge of fundamental concepts of material science.

• Identify various components of related to material science, and perform

basic operations and apply safety procedures.

• Design and analyse problems relating to Material science.

 ASET

Module-I
Introduction: Historical perspective, importance of materials.
Fundamentals of crystal Structure, Crystal lattice: BCC, FCC and HCP,
Concept of unit cell, space lattice,
Atomic packing factor and Density Miller indices.
X-ray crystallography techniques. Crystallography and Imperfections::- Defects
& Dislocations,
Mechanism of Plastic Deformation: by twinning and by slip.
 ASET

Module-II

Mechanical properties and Testing: Stress strain diagram, Ductile &

brittle material, Stress vs strength. Toughness, Hardness, Fracture,
Fatigue and Creep.. Testing such as Strength testing, Hardness
testing, Impact Testing Non-destructive testing (NDT).
 ASET

Module-III
Iron-carbon equilibrium diagram. Ferrous materials: Various types
of carbon steels, alloy steels and cast irons, its properties and
uses
Heat Treatment: Various types of heat treatment such as
Annealing, Normalizing, Quenching, Tempering and Case
hardening. Time Temperature Transformation (TTT) diagrams
Non-Ferrous metals and alloys: Non-ferrrous metals such as Cu,
Al, Zn, Cr, Ni etc. and its applications. Various type of Brass and
Bronze,. Other advanced materials/alloys
 ASET

Module-IV
Electric properties : Energy band concept of conductor, insulator
and semi-conductor
Intrinsic & extrinsic semi-conductors. P-n junction and transistors.
Basic devices and its application. Super conductivity and its
applications
Ceramics : Structure types, properties and application of ceramics
Plastics: Various types of polymers/plastics and its applications.
Future of plastics
 ASET

Text & References

Text:
Willium D. Callister and Jr. David G. Rethwisch, “Materials Science and
Engineering An Introduction”, Wiley Publication.
V. Raghavan, “Material Science & Engineering”, Prentice Hall India Ltd.,
2001.
S.K. Hazra Chaudhuri, “Material Science & Processes”, Indian Book
Publishers, Calcutta, 1983.
R.B. Gupta, “Material Science Processes”, Satya Prakashan, New Delhi,
2000.

References:
Buduisky et al, “Engineering Materials & Properties”, Prentice Hall India,
New Delhi, 2004.
Shackelford, J.F. and Muralidhara, M.K., Introduction to Material Science
for Engineers (6/e), Pearson Education, 2007
 ASET

Material Science (MATS201)

Topic: Introduction to Materials

Subtopic: M1L1
Historical perspective of materials, Importance of materials.

Learning Objective :
To develop the understanding of historic perspective and
importance of materials

Learning Outcomes :
The student should be able understand the importance of
materials
Material evolution ASET
 History of Materials
ASET

Even our history has been defined by the materials we use…..

• The Stone Age: The people began to make tools from stone. Start of the
Stone age about 2 millions years ago. Natural materials such as stone,
wood, clay, skins etc.
• The Bronze Age: The stone age ended about 5000 years ago with the
introduction of the bronze age. Bronze is an alloy made up of (copper+
<25% of tin + other elements). The bronze can be hammered or cast into
variety of shapes and can be made harder by alloying.
• The Iron age: The Iron age began about 3000 years ago and continued
today. A use of iron and steel, a stronger and cheaper material changed
drastically daily life of a common person.
 What is material science?
ASET

• Definition : Materials science and engineering is an

interdisciplinary field concerned with inventing new materials
and improving previously known materials by developing a
deeper understanding of the microstructure-composition-
synthesis-processing relationships.

What is a material scientist?

A person who uses his/her combined knowledge of physics,
chemistry and metallurgy to exploit property-structure
combinations for practical use.
 Material Science and Engineering ASET

the effectiveness and behavior of each material will depend on three factors
 Material Science and Engineering
ASET

• Structure -> The structure of a material usually relates to the

arrangement of its internal components.
• Property -> A property is a material trait (distinguishing feature) in
terms of the kind and magnitude of response to a specific imposed
stimulus.
• Six categories of properties -> mechanical, electrical, thermal,
magnetic, optical, and chemical.
• In addition to structure and properties, two other important
components are involved in the science and engineering of materials—
namely, “processing” and “performance.”
 ASET

Why Study Materials Science and Engineering?

• Being Engineers we are totally dependent upon

materials, their properties and performance.
• Many times, a materials problem is one of selecting
the right material from the many thousands that are
available
• On only rare occasions does a material possess the
ideal combination of properties.
• deterioration of properties that may occur during
service operation
 Example Apply materials to work ASET

1. Car industry 2. Computer electronics industry 3. Construction industry

4. Water industry 5.Aircraft industry

 ASET

Material Science (MATS201)

Topic: Classification of Materials

Subtopic: M1L2
Crystalline Solid and Amorphous Solid, Types of Material

Learning Objective :
To develop the understanding of different types of materials.

Learning Outcomes :
The student should be able understand the different types of
materials
 ASET

Matter
• Any substance which has mass and occupies space

• All physical objects are composed of matter.

MATTER

Solid Liquid Gas

 ASET

Solids:
• Objects with definite size and shape are known as
solids.

• Incompressible, Rigid, Mechanically

strong, Atoms are closely packed.

Liquids & Gases:

• Atoms or molecules are not fixed and cannot form
any shape and size. They gain the shape and size of
the container.

• loosely packed.
 ASET

Solids are classified into two

categories
i) Crystalline Solids:
The solids in which atoms or molecules are arranged
in a regular and orderly manner in three dimensional
pattern, are called Crystalline Solids.

Ex: i) Metalic: Gold, Silver, Aluminium

ii)Non-Metalic: Diamond, Silicon, NaCl, Quartz,
Graphite etc.
 ASET

ii) Amorphous Solids

The solids in which atoms or molecules are
not arranged in a regular and orderly manner
in three dimensional pattern, are called
Amorphous Solids

Ex: Glass, Plastic, rubber etc.

 Differences between Crystalline solid and
ASET
Amorphous solid

Crystalline Solids Amorphous Solids

1. Atoms or molecules have regular periodic Atoms or molecules are not arranged in a
arrangements regular periodic manner. They have random
arrangement.

2.They are anisotropic in nature. They are isotropic in nature.

3. They exhibit directional properties. They do not exhibit directional properties.

4.They have sharp melting points. They do not possess sharp melting points

5. Crystal breaks along regular crystal planes Amorphous solids breaks into irregular shape
and hence the crystal pieces have regular due to lack of crystal plane.
shape
Ex: Copper, Silver, Aluminium etc. Ex: Glass, Plastic, rubber, etc.
 ASET
What is MATERIAL?

"A material is a substance or mixture of substances that constitutes an

object. Material should always show some good properties."

Strength, Thermal, magnetic

Hardness, and electrical
flexibility. Properties.

Catalyst (Acidic or
Stability.
basic )

Reusability and
Low Cost.
eco friendly .
CLASSES OF MATERIALS ASET

IONIC CRYSTALS COVALENT METAL & ALLOYS

CRYSTALS

SEMICONDUCTORS POLYMERS CERAMICS

COMPOSITE
GLASSES
MATERIALS
 ASET

IONIC CRYSTALS

• NaCl is used for cooking purpose

which make food tasty.
• Preservation of cheese, dairy
products, meat, pickles and
sauces.
• CaCl2 salt is used as Road salt to
remove snow fallen on road in
Cold countries. It lowers the
freezing point of water.
• Potassium chloride produced is
used for making fertilizer since
the growth of many plants is
limited by their potassium intake.
• It is used in preparation of salt
bridge which connects both the
half concentration cells.
 COVALENT ASET

CRYSTALS
 Covalent bond formed by
the Sharing of electrons.
Example :Diamond, DIAMOND GRAPHITE

Graphite, Fullerene etc

DIAMOND

Highest hardness and

thermal FULLERENE
conductivity of any bulk
material.
A diamond is a transparent
crystal of tetrahedral bonded
carbon atoms
(sp3).
Diamond lattice face
centered cubic structure.
 METALS & ALLOYS ASET

Metallic bonding
Alloy is Example : copper
is the bonding
homogeneous ,Aluminum ,
between
mixture of two or Brass, Stainless
atoms within
more elements steel etc
metals.

Properties of metals and alloys

1.High tensile strength.
2.They exhibit magnetic properties.
3.High Electrical conductivity.
 SEMICONDUCTORS ASET

 The bonding is covalent (electrons are shared between atoms).

Their electrical properties depend strongly on minute proportions
of dopants. Examples: Si, Ge etc
Dopants:
Boron (3 rd group element )
Phosphorus (5th group element)
 Polymer ASET

High molecular weight

molecule made up of a small
repeat unit (monomer).
A-A-A-A-A-A-A-A-A-A-A-A-
A-A-A-
Example : polyester, nylon
Bakelite etc.
Types of polymers:
1. Thermoplastics: Can be
processed by melting (several
cycles of heating and cooling
are possible for thermally
stabilized polymers) example:
PVC,PET etc
2.Thermosets: Cannot be
melted or dissolved to be
processed: chemical
decomposition occurs before
softening. example: Vulcanized
rubber Bakelite.
 CERAMICS ASET
Ceramic is an inorganic, nonmetallic
solid prepared by the action of heat and
subsequent cooling.
Example: clay ,Mixed oxides like alumina
Zirconia Etc

PROPERTIES OF CERAMICS:

1.Ceramics are strong solid inert

materials.

2.They withstand chemical erosion due

After
to Acid and Caustic.

3.These can withstand high temperature

of about 1000°C to 1600°C.

Before
 GLASSES ASET

Glass is an amorphous
(non-crystalline) solid
material and typically
brittle and optically
transparent.

Silica(SiO2)
is a common
fundamental
constitute of
glass.
 COMPOSITE MATERIALS ASET

Composite Materials offers

1. High Strength
2. Light Weight
3. Design Flexibility
 ASET

Material Science (MATS201)

Topic: Fundamentals of Crystal Structure

Subtopic: M1L3
Concept of unit cell , space lattice, BCC,FCC and HCP crystal lattice .

Learning Objective :
To develop the understanding of unit cell ,space lattice and different
types of crystal lattice.

Learning Outcomes :
The student should be able undertand unit cell and different types of
crystal lattice
 Unit Cell ASET

• The smallest block or geometrical

figure from which the crystal is buildup
by repetition in three dimensions, is
called unit cell.

(or)
The fundamental grouping of particles
which are repeating entities, is called
unit cell.

• It is a fundamental elementary pattern.

• This unit cell is basic structural unit
or building blocks of the crystal
 Important properties of the unit ASET
cells are
 The type of atoms and their radii R. (Atomic radii is half the distance
between nearest neighbours in a crystal of a pure element.)
Cell dimensions (Lattice spacing a, b and c) in terms of R
Angle between the axis α, β, γ
n, number of atoms per unit cell. For an atom that is shared with m
adjacent unit cells, we only count a fraction of the atom, 1/m.
CN, the coordination number, which is the number of closest
neighbours to which an atom is bonded.
APF, the atomic packing factor, which is the fraction of the volume of
the cell actually occupied by the hard spheres. APF = volume of atoms
in a unit cell /Volume of unit cell.
 Space Lattice (or) Crystal Lattice ASET

(or) Crystal Structure

• A space lattice is an array of points showing how particles
(atoms, ions or molecules) are arranged at different sites in
three dimensional spaces.
• The regular orderly arrangement of lattice points in space
which resembles the atoms or molecules in a crystal is known
as Space lattice.

• A crystal structure is formed only when the group of atoms is

arranged identically at the lattice point.

• The group of atoms or molecules is called a basis.

ASET
Seven Crystal System ASET
ASET
 IMPORTANT TERMS ASET

Primitive lattice (P) :

• In this lattice the unit cell consists of eight corner atoms
and all these corner atoms contribute only one effective
atom for the lattice.
 ASET

Body centere lattice/Cubic(BCC):

• In this lattice, in addition to the eight corner atoms, it
consists of one complete atom at the centre.
 ASET

Face Centered lattice/Cubic (FCC):

In this lattice along with the

corner atoms, each face will have one centre atom
 ASET

Closed Centered Pack (CCP):

• In this lattice along with the corner atoms, the base
and opposite face will have centre atoms
 Bravais Lattices ASET

• The French scientist August Bravais, demonstrated in 1850 that

only 14 types of unit cells are compatible with the orderly
arrangements of atoms found in crystals.
• These three-dimensional configurations of points used to
describe the orderly arrangement of atoms in a crystal.

• Each point represents one or more atoms in the actual crystal,

and if the points are connected by lines, a crystal lattice is
formed.
Bravais 14 types of unit cells ASET
 ASET

Material Science (MATS201)

Topic: Atomic Packing Factor and Density Miller Indices

Subtopic: M1L4
Atomic Packing factor and Miller indices for Plane.

Learning Objective :
To develop understanding of atomic packing factor and use of Miller
indices for Plane in crystals

Learning Outcomes :
Evaluate the Atomic packing factor for various unit cell and interpret
to draw plane from miller indices or vice -versa
 Atomic Packing Factor ASET

The ratio between the total volume occupied by the atoms in a unit
cell to the total volume of the unit cell is called Packaging factor
 Important definitions ASET

Interstitial Space (or) Void Space

• The empty space available in a crystal lattice with atoms occupying
their respective positions is called Interstitial space or void space.

Atomic radius (r):

• The half of the distance between any two successive atoms in a
crystal lattice is called atomic radius.

Nearest Neighbour Distance (2r) :

• The distance between two nearest neighboring atoms in a crystal
lattice is known as the nearest neighbour distance.
 Important definitions ASET

Effective number of atoms per unit cell:

• The total number of atoms in a unit cell by considering the
contribution of corner atoms, centre atoms and face centered
atoms, is called Effective number of atoms per unit cell.

Coordination number (N) :

• The number of equidistant neighbors that an atom has in a
crystal lattice is known as the coordination number .
 Principal Metallic Crystal ASET

Structures
• 90% of the metals have either Body Centered Cubic (BCC),
Face Centered Cubic (FCC) or Hexagonal Close Packed
(HCP) crystal structure.

• HCP is denser version of simple hexagonal crystal structure.

 Simple Cubic
ASET

• A simple cubic unit structure consists of eight corner

atoms. It is a primitive cell.

• Lattice parameters:

a = b = c and α = β = γ = 900

• Effective number of atoms in unit cell:

• In actual crystals each and every corner atom is
shared by eight adjacent unit cells. There each and
every corner atom contributes 1/8 of its part to one
unit cell. Hence effective number of atoms in unit cell

= [1/8] X 8 = 1
 ASET

Coordination number:
For corner atom, there are four nearest

neighbours in its own plane. There is

another nearest neighbour in a plane which

lies just above this atom and yet another

nearest neighbour in another plane which

lies just below this atom. Therefore the total

number of nearest neighbours is 6.

 ASET

Atomic packing factor:

• A corner atom is shared by eight unit cells
• Contribution of a corner atom is 1/8
• Cube has 8 corners
• Hence contribution of 8 corner atoms= [1/8]X8 = 1
• Number of atoms per unit cell= 1
• If r is the radius of the atom, distance between the centers of two
neighboring atoms = 2r = a
Atomic radius r = a/2
• Volume of one atom = 4/3 πr3
• Volume of unit cell = a3
 ASET

• atomic packing factor =

• =

= π/6
• atomic packing factor = 0.52 i.e. 52 % of the volume of
the simple cubic unit cell is occupied by atoms. The void
space is 48%
•Example: Polonium crystal. Hence this structure is loosely
packed.
 Body Centered Cubic ASET

Body centered cubic structure consists of eight corner atoms and

one body centered atom. It is not a primitive cell. Lattice

parameters: a = b = c and α = β = γ = 900 Effective number of atoms

in unit cell:

In BCC unit cell, each and every corner atom is shared by eight

adjacent unit cells. Total number of atoms contributed by corner

atoms = [1/8] X 8 = 1

BCC unit cell has 1 full atom at the center of the unit cell.

The effective number of atoms present in a bcc unit cell is =1+1 = 2

 ASET

• Coordination number:
• the nearest neighbor for a body centered atom is a corner atom. A
body centered atom is surrounded by eight corner atoms.
Therefore the coordination number of a bcc unit cell is 8.
 ASET

• Atomic radius: For BCC the atoms touch along the body diagonal
• The diagonal length = 4r
E
• F
From ∆ le ABC AC2 = AB2 + BC2 D
• G
= a2 + a2 = 2a2
•
AC = A
From ∆ le ACD AD2 = AC2 + CD2 a

= 2a2 + a2 C
a
B

= 3a2 •r
AD =
2r
therefore = 4r
i.e r = r•
4r
 ASET

• Packing factor:
• atomic packing factor =

• =

•
packing factor =
= 0.68
•The atoms in BCC occupy 68% of the space and the rest is empty.

•The void space (or) interstitial space is 32%

•Hence BCC is tightly packed than simple cubic structure.

•Ex: Sodium, Potassium, Chromium, tungsten etc.

 Face Centered Cubic ASET

Face centered cubic unit structure consists of

eight corner atoms and each face has a

center atom.

Lattice parameters:

a = b = c and α = β = γ = 900

Effective number of atoms in unit cell:

Each unit cell contains

(1/8 x 8 corner atoms) + (1/2 x 6 face atoms)

= 1+3 = 4 atoms.
 ASET

• Atomic radius can be calculated as follows:

To fit the same size spheres along the face diagonal, the face
diagonal must be four times the radius of the spheres, i.e.
d=4r

• From Pythagoras the face diagonal is :

• Hence,
 ASET

Coordination number:
• For corner atom, there are four face
centered atoms.
• These face centered atoms are its
nearest neighbours.
• In a plane just above this corner
atom, it has four more face centered
atoms.
• In a plane which lies just below this
corner it has yet four more face
centered atoms.
• Therefore the nearest number of
atoms is 12
 ASET

• Packing Factor:
• Each unit cell contains
• (1/8 x 8 corner atoms) + (1/2 x 6 face atoms)
= 1+3 = 4 atoms. a(√2/4) = r
a = (4/√2) r a = 2√2 r
Volume of the atoms in the cell
= 4 x (4/3 πr3)
= 16/3 πr3 Volume of cube = a3
= (2√2 r)3
= 16√2 r3
 ASET

• Packing Factor =

= (16/3 πr3)/(16√2 r3) = π/3√2

= 0.74 = 74%

• . The packing efficiency of 74%. .The void space (or) interstitial space is 26%

• Actually, the corner atoms touch the one in the center of the face. No other

• packing can exceed this efficiency (although there are others with the same

• packing efficiency).

• Hence fcc is more closely packed than bcc and sc.

• Examples: nickel, silver, gold, copper, and aluminum

 Miller Indices ASET

Introduction-
• In 1939, W.H. Miller, an English Crystallographer, Put
forward a method to identify the planes in a lattice.
• Miller indices are the styles to designate the planes and
directions in the unit cells and crystals. It is expressed by h,
k, l. Symbols h, k , l indicate unknown integers.
• Negative value of any indices h , k or l is denoted by bar
over the integer.The kinds of brackets have special
meanings which are elaborated as below-
• (hkl) denotes a plane
• [hkl] denotes a direction
• {hkl} denotes family of planes
• <hkl> denotes family of directions
 Miller indices ASET

• It is understood that properties of materials

depend on their crystal structure, and many of
these properties are directional in nature.
• It is necessary to characterize the crystal to
identify specific directions and planes.
• Specific methods are employed to define crystal
directions and crystal planes.
• Miller indices is a system of notation within a
crystal of space lattice.
• They are based on the intercepts of the planes
with three crystal axis , edge of the unit cell.
 Methodology to define ASET
crystallographic directions in cubic crystal:

• A vector of convenient length is placed

parallel to the required direction.
• the length of the vector projection on each of
three axes are measured in unit cell
dimensions.
• these three numbers are made to smallest
integer values, known as indices, by
multiplying or dividing by a common factor.
• the three indices are enclosed in
square brackets, [hkl].
 Planes in Lattices and Miller Indices ASET
 A convenient way to describe the orientation of any of these
families of plane is with a Miller Index of the form (hkl) in
which the plane makes the intercepts with a unit cell of a/h,
b/k and c/l. Thus the Miller index indicates the reciprocal of
the intercepts.
• Note: If a plane does not intersect an axis, the intercept
would be ∞ and the reciprocal is 0.
• Note: If the reciprocal of the intercept is a fraction, multiply
each of the h, k and l values by the lowest common
denominator to so that they become integers!
ASET
Planes in Lattices
and Miller Indices ASET
 ASET

Material Science (MATS201)

Topic: X ray Crystallography techniques and Imperfections

Subtopic: M1L5

Crystallography : X ray diffraction, Bragg's Law , defects and dislocations.

Learning Objective :
To develop understanding of Crystallography techniques and types of
defects and dislocations.

Learning Outcomes :
The student should be able understand the importance of crystallography
techniques and Interpret the types of imperfections exists and their
influence in real engineering applications
 History ASET

• The English physicist Sir William Henry Bragg pioneered the

determination of crystal structure by X-ray diffraction methods.

• X-ray crystallography is a complex field that has been

associated with several of science’s major breakthroughs in
the 20th century.

• Using X-ray crystal data, Dr. James Watson and Dr. Francis
Crick were able to determine the helix structure of DNA in
1953.

• In 1998 Dr. Peter Kim, a scientist, was able to determine the

structure of a key protein responsible for the HIV infection
process.
X ray ASET

• An electromagnetic wave
of high energy and very
short wavelength
(between ultraviolet light
and gamma ray).

• X ray is able to pass

through many materials
opaque to light.
 Properties of X ray ASET

1. X-ray travel in straight lines.

2. X-ray are electrically neutral.

3. X-ray are polynergetic and heterogonous.

4. X-ray are invisible ray.

 Principle ASET

The principle is based on principle of diffraction

1. The crystal is made to strike against x-ray beam.
2. Due to striking the atoms present in crystal diffracts the x-
ray beam into different direction.
3. The angle and intensity of this diffraction rays is analog to
spatial arrangement of atom in crystal.
4. By studying these angle, the 3D structure of any crystal
can be determine.
 Bragg’s Law ASET

• According to Braggs law : nλ = 2d sinƟ

• Here d is the spacing between diffracting planes, Ɵ is
the incident angle, n is any
integer, and λ is the wavelength of the beam.
 Application ASET

1. The various atomic arrangement present in

graphite diamond can be study using x-ray
diffraction.
2. The lattice structure of crystal can be revealed
using x-ray diffraction
3. protein, antibody, DNA, RNA, lipids and other
biomolecules structure can be study
4. bond such as covalent bonds and ionic that exist
between molecule can be study.
5. the molecular structure of penicillin, vitamin
B12,insulin etc can be determine using x-ray
diffraction.
 Crystal Facts ASET

• Snowflakes– these are ice crystals

which are formed high up in
the clouds when water freezes. They
always have six sides, but every
single one of them is unique.

• Timing crystals– When an electric

current is sent through some crystal,
they vibrate at a very specific rate.
Quartz crystals are used in watches
and other electronics to keep
accurate time.
 ASET

Material Science (MATS201)

Topic: Mechanism of Plastic Deformation

Subtopic: M1L6
Mechanism of Plastic Deformation by twinning and by slip.

Learning Objective :
To develop understanding of mechanism of plastic deformation by
twinning and by slip.

Learning Outcomes :
The student should be able understand the mechanism of plastic
deformation by twinning and by slip.
 Defects and dislocations ASET

• Crystalline material has a crystal structure

in which the atoms are positioned in
perfect ordered pattern which is repetitive
over large atomic distance.

• Defects have a profound impact on the

macroscopic properties of materials.

• Sometimes defects are deliberately

created to improve properties of crystal.
 Crystal ASET

Imperfections/ Defects

Why would we want to

study defects?
 Affect properties of material ASET

Electrical Mechanical e.g., strength,

toughness, hardness, etc) (all
(all defects, especially point defects, especially
defects) dislocations)

Optical Kinetic e.g., diffusion

Magnetic
(all defects, (all defects,
especially point (all defects) especially point
defects) defects)
 Imperfections in Solids ASET

Every lattice point

Ideal structure
has exactly the same
of a solid
environment

Deviations from
ideal structure Defects
 Crystalline Imperfections ASET

There is no such thing as a perfect crystal!

•Thermodynamically “impossible”
•“defects” lower the energy of a crystal & make it more stable
•always have vacancies and impurities, to some extent
Defect does not necessarily imply a bad thing
• addition of C to Fe to make steel
•addition of Cu to Ni to make thermocouple wires
•addition of Ge to Si to make thermoelectric materials
•addition of Cr to Fe for corrosion resistance
•introduction of grain boundaries to strengthen materials
…… and so on
“Defect” (in this context) can be either desirable or undesirable. In
general, a defect simply refers to a disruption in the crystalline order
of an otherwise periodic material.
 CRYSTALLINE ASET

IMPERFECTIONS are frequently classified

according to geometry or dimensionality of the
defect.

Point defects

Line defects

Interfacial defects

Bulk or volume defects

 Point Defects ASET

 Atoms in solid possess vibrational energy, some

atoms have sufficient energy to break the bonds
which hold them in eqbm position. Hence once the
atoms are free they give rise to Point Defects.
Classes of point defects:
 Intrinsic defects.
Vacancy
Interstitial
 Extrinsic defects
Substitution
Interstitial
 Vacancies ASET

 A lattice position that is vacant because the

atom is missing
 There are naturally occurring vacancies in
all crystals
 The concentrations of vacancies increase
with:
 increasing temperature
 decreasing activation energy
 Vacancies ASET

-vacant atomic sites in a structure.

Vacancy

distortion
of planes
 Self-Interstitial ASET

 If the matrix atom occupies its own interstitial

site, the defect is called Self Interstitial.

 Self-interstitials in metals introduce large

distortions in the surrounding lattice.

self- interstitial
distortion
of planes
 ASET

For Ionic Solids, Frenkel and Schottky

defects are likely to form.

Schottky Defects

When cation vacancy is associated with anion vacancy, the

defect is called Schottky Defect.
Frenkel Defects
When an atom leaves its regular site and occupy nearby
interstitial site it gives rise to two defects i.e. one vacancy and
other self interstitial these two defects are called as Frenkel
Defects.
 DEFECTS IN CERAMIC STRUCTURES ASET

• Frenkel Defect
--a cation is out of place.

• Schottky Defect
--a paired set of cation and anion vacancies.

Shottky
Defect: Adapted from Fig. 13.20,
Callister 5e. (Fig. 13.20 is
from W.G. Moffatt, G.W.
Pearsall, and J. Wulff, The
Structure and Properties
of Materials, Vol. 1,
Frenkel Structure, John Wiley and
Sons, Inc., p. 78.) See
Defect Fig. 12.21, Callister 6e.

• Equilibrium concentration of defects eQD /kT 8

 Line Defects ASET

 Line defects are imperfections in a crystal

structure for which a row of atoms have a
local structure that differs from the
surrounding crystal.

1. Edge dislocations
2. Screw dislocations
 Linear Defect (Dislocations) ASET

Are one-dimensional defects around which atoms

are misaligned
 Edge dislocation:
◦ extra half-plane of atoms inserted in a crystal
structure
◦ Burger vector  to dislocation line
 Screw dislocation:
◦ spiral planar ramp resulting from shear
deformation
◦ Berger vector  to dislocation line
 ASET

Edge Dislocation
Screw Dislocation ASET
 Interfacial Defects ASET

Are boundaries that have two dimensions

and normally separate regions of
the materials that have different
crystal structures.

 1. External surface
 2. Grain boundary
 3. Twin boundary
 External Surfaces ASET

 Surface atoms have unsatisfied atomic

bonds, and higher surface energies, γ (J/m2
or, erg/cm2) than the bulk atoms.
 To reduce surface free energy, material
tends to minimize its surface areas against
the surface tension (e.g. liquid drop).
 Grain Boundaries ASET

 Polycrystalline material comprised of many small crystals

or grains having different crystallographic orientations.
 Atomic mismatch occurs within the regions where grains
meet. These regions are called grain boundaries.
 Segregation of impurities occurs at grain boundary.
 Grains tend to grow in size at the expense of smaller
grains to minimize surface energy. This occurs by
diffusion, which is accelerated at high temperatures.
 Dislocations can usually not cross the grain boundary.
 Twin Boundaries ASET

 Special type of grain boundaries with twin

directions mirrored atomic positions across
the boundary.
 May be produced by shear deformation of
BCC/HCP materials (mechanical twin), or
during annealing following deformation
(annealing twin) of FCC materials
 Bulk or Volume Defects ASET

 Pores
affect optical, thermal, and mechanical
properties
 Cracks
affect mechanical properties
 Foreign inclusions
affect electrical, mechanical, optical
properties
 Simple Stresses and Strain ASET

Load
• It is defined as any external force acting upon a
machine part.
Stress
• When some external system of forces or loads act on a
body, the internal forces (equal and opposite) are set up at
various sections of the body, which resist the external
forces.
• This internal force per unit area at any section of the body
is known as unit stress or simply a stress. It is denoted by
a Greek letter sigma (σ). Mathematically,
Stress, σ = P/A
where P = Force or load acting on a body, and
A = Cross-sectional area of the body.
 ASET

Strain
• When a system of forces or loads act on a body, it
undergoes some deformation.
• This deformation per unit length is known as unit
strain or simply a strain. It is denoted by a Greek
letter epsilon (ε).
Mathematically,
Strain, ε = δl / l or δl = ε.l
where δl = Change in length of the body, and
l = Original length of the body.
 Elastic Deformation ASET

1. Initial 2. Small load 3. Unload

bonds
stretch

return to
initial

F

Elastic means reversible.

102
 Plastic Deformation (Metals) ASET

1. Initial 2. Small load 3. Unload

linear linear
elastic elastic
Plastic means permanent. 
plastic
103
 Plastic Deformation (permanent) ASET

• From an atomic perspective, plastic deformation

corresponds to the breaking of bonds with
original atom neighbors and then reforming
bonds with new neighbors.
• After removal of the stress, the large number of
atoms that have relocated, do not return to
original position.
• Yield strength is a measure of resistance to
plastic deformation.

104
 Permanent Deformation ASET

• Permanent deformation for metals is

accomplished by means of a process called slip,
which involves the motion of dislocations.
• Most structures are designed to ensure that only
elastic deformation results when stress is applied.
• A structure that has plastically deformed, or
experienced a permanent change in shape, may
not be capable of functioning as intended.

105
 Plastic deformation ASET

• There are two prominent mechanisms of plastic deformation, namely slip

and twinning.
• Slip is the prominent mechanism of plastic deformation in metals. It involves
sliding of blocks of crystal over one other along definite crystallographic
planes, called slip planes.
• In physical words it is analogous to a deck of cards when it is pushed from
one end. Slip occurs when shear stress applied exceeds a critical value.
• During slip each atom usually moves same integral number of atomic
distances along the slip plane producing a step, but the orientation of the
crystal remains the same. Steps observable under microscope as straight
lines are called slip lines.
• Slip occurs most readily in specific directions (slip directions) on certain
crystallographic planes. Generally slip plane is the plane of greatest atomic
density, and the slip direction is the close packed direction within the slip
plane.
• Feasible combination of a slip plane together with a slip direction is
considered as a slip system
 Deformation MechanismsASET
(Metals)
• Theoretical strengths of perfect crystal are much higher than
those actually measured. It was believed that this
discrepancy in mechanical strength could be explained by
dislocations.
• On a macroscopic scale, plastic deformation corresponds to
the net movement of large numbers of atoms in response to
an applied stress.
• Edge and Screw Dislocations
• In an edge dislocation, localized lattice distortion exists
along the end of an extra half-plane of atoms.
• A screw dislocation results from shear distortion.
• Many dislocations in crystalline materials have both edge
and screws components; these are mixed dislocations.

107
 Slip ASET

• The process by which plastic deformation is

produced by dislocation motion is called slip
(movement of dislocations).
• The extra ½-plane moves along the slip
plane.
• Dislocation movement is similar to the way a
caterpillar moves. The caterpillar hump is
representative of the extra ½-plane of atoms.
108
 ASET

Slip Systems
 Dislocations move more easily on specific planes and in specific
directions.
 Ordinarily, there is a preferred plane (slip plane), and specific
directions (slip direction) along which dislocations move.
 The combination of slip plane and slip direction is called the slip
system.
 The slip system depends on the crystal structure of the metal.
 The slip plane is the plane that has the most dense atomic packing
(the greatest planar density).
 The slip direction is most closely packed with atoms (highest linear
density).

109
Deformation in a single crystal ASET

• For a single crystal in tension, slip will

occur along a number of equivalent
and most favorably oriented planes
and directions at various positions
along the specimen.
• Each step results from the movement
of a large number of dislocations
along the same slip plane.

110
 Twinning ASET

• Twinning results when a portion of crystal takes up an orientation

that is related to the orientation of the rest of the untwined lattice
in a definite, symmetrical way.
• The twinned portion of the crystal is a mirror image of the parent
crystal.
• The plane of symmetry is called twinning plane. Each atom in the
twinned region moves by a homogeneous shear a distance
proportional to its distance from the twin plane.
• The lattice strains involved in twinning are small, usually in order
of fraction of inter-atomic distance, thus resulting in very small
gross plastic deformation.
 Twining ASET

• The important role of twinning in plastic deformation is that it causes

changes in plane orientation so that further slip can occur. If the
surface is polished, the twin would be still visible after etching
because it possesses a different orientation from the untwined
region. This is in contrast with slip, where slip lines can be removed
by polishing the specimen.
• Twinning also occurs in a definite direction on a specific plane for
each crystal structure. However, it is not known if there exists
resolved shear stress for twinning. Twinning generally occurs when
slip is restricted, because the stress necessary for twinning is
usually higher than that for slip. Thus, some HCP metals with limited
number of slip systems may preferably twin. Also, BCC metals twin
at low temperatures because slip is difficult
 Deformation by Twinning ASET

• A shear force can produce atomic displacements so

that on one side of the plane (the twin boundary),
atoms are located in mirror image positions to atoms
on the other side.
• Twinning may favorably reorient slip systems to
promote dislocation movement.