ASET

Material Science
By
Dr. Khushbu Yadav
Assistant Professor
Deptt. of Mechanical Engg.
 ASET

Material Science
By
Dr. Khushbu Yadav
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 related to material

science, and perform basic operations, and apply
safety procedures.

• Design and analyse problems related to Material

science.
 Module-I ASET

• 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
 Text & References ASET

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.
 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
 ASET
Contents

1) Historic perspective and Materials Science

2) Why study properties of materials, Classification

of materials

3) Advanced materials, Future materials and Modern

materials’ needs
 ASET
Historic perspective

 Materials are very important in development of

human
civilization. In respect, their names are associated
in history, e.g. stone age, Bronze age, Iron
age, etc.

 With time humans discovered new materials and also

techniques to produce new materials. This is an ongoing
process for coming centuries, i.e. no end in sight!
 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. A use of
iron and steel, a stronger and cheaper material changed
drastically daily life of a common person.
Material ASET

evolution
 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.

Material Scientist

A person who uses his/her combined knowledge of physics,

chemistry and metallurgy to exploit property-structure combinations
for practical use.
 Example Apply materials to ASET
work

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

industry

4. Water industry 5.Aircraft industry

 Materials Science ASET

 It can be defined as science dealing the relationships

that
exist between the structures and properties of
materials, which are useful in practice of engineer’s
profession.

 Basic components and their interrelationship:

Structure

Performance

Properties Processing
 Material Science and Engineering ASET
the effectiveness and behavior of each material will depend on
threefactors
 Material Science and
ASET

Engineering
• 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,

electro-magnetic, 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.”
Why Study Properties of Materials?ASET
 Since there are thousands of materials available it is almost
impossible to select a material for a specific task unless
otherwise its properties are known.

 There are several criteria on which the final decision is based

on.

 There are less chances of material possessing optimal or idle

combination of properties.

 A need to trade off between number of factors!

 Classification of ASET

Materials
 Three basic groups of solid engineering materials based on
atomic bonds and structures:
Metals
Ceramics
Polymers
 Classification can also be done based on either properties
(mechanical, electrical, thermal), areas of applications
(structures, machines, devices). Further we can subdivide
these groups.
 According to the present engineering needs:
Composites, Semiconductors, Biomatrials
 Metals
ASET

 Characteristics are owed to non-localized electrons (metallic

bond between atoms) i.e. electrons are not bound
to a particular atom.
 They are characterized by their high thermal and
electrical
conductivities.
 They are opaque, can be polished to high luster. The opacity
and reflectivity of a metal arise from the response of the
unbound electrons to electromagnetic vibrations at light
frequencies.
 Relatively heavier, strong, yet deformable.

E.g.: Steel, Aluminium, Brass, Bronze, Lead, Titanium,

etc.
 Ceramics
ASET

 They contain both metallic and nonmetallic elements.

 Characterized by their higher resistance to high temperatures
and harsh environments than metals and polymers.
 Typically good insulators for passage of both heat
and
electricity.
 Less dense than most metals and alloys.
 They are harder and stiffer, but brittle in nature.
 They are mostly oxides, nitrides, and carbides of metals.
 Wide range: traditional (clay, silicate glass, cement)
to advanced (carbides, pure oxides, non-silicate glasses).

E.g.: Glass, clay, bricks, tiles, glass, and cement, etc.

 Polymers
ASET

 Commercially called plastics; noted for their low

density,
flexibility and use as insulators.
 Mostly are of organic compounds i.e. based on
carbon, oxygen and other nonmetallic elements.
 Consists large molecular structures bonded by covalent and
van der Waals forces.
 They decompose at relatively moderate temperatures
(100-
400 C).
 Application: packaging, textiles, biomedical devices, optical
devices, ceramics household items, toys, etc.

E.g.: Nylon, Teflon, Rubber, Polyester, etc.

 Composites
ASET

 Consist more than one kind of material; tailor made to benefit

from combination of best characteristics of each constituent.
 Available over a very wide range: natural (wood) to synthetic
(fiberglass).
 Many are composed of two phases; one is matrix – which is
continuous and surrounds the other, dispersed phase.
 Classified into many groups: (1) depending on orientation of
phases; such as particle reinforced, fiber reinforced, etc. (2)
depending on matrix; metal matrix, polymer matrix, ceramic
matrix.

E.g.: Cement concrete, Fiberglass, special purpose refractory

bricks, plywood, etc.
 Semiconductors
ASET

 Their electrical properties are intermediate when compared

with electrical conductors and electrical insulators.

 These electrical characteristics are extremely sensitive to the

presence of minute amounts of foreign atoms.

 Found many applications in electronic devices over decades

through integrated circuits. In can be said that
semiconductors revolutionized the electronic industry for last
few decades.
 Biomaterials
ASET

 Those used for replacement of damaged or diseased

body parts.
 Primary requirements: must be biocompatible with
body
tissues, and must not produce toxic substances.
 Important materials factors: the ability to support the forces,
low friction and wear, density, reproducibility, and cost.
 All the above materials can be used depending on
the application.
 A classic example: hip joint.

E.g.: Stainless steel, ultra high molecular weight

polyethylene, high purity dense Al-oxide, etc.
 Advanced materials
ASET

 Can be defined as materials used in high-tech devices i.e.

which operates based on relatively intricate and sophisticated
principles (e.g. computers, air/space-crafts, electronic
gadgets, etc.).
 These are either materials with enhanced
traditional
properties or newly materials with high-
performance
developed capabilities. Thus, these are
relatively
expensive.
 Typical applications: integrated circuits, lasers, LCDs, fiber
optics, thermal protection for space shuttle, etc.

E.g.: silicon, Metallic foams, carbon fiber composite, inter-

metallic compounds, multi- component alloys, magnetic
alloys, special ceramics and high temperature materials, etc.
 Future materials
ASET

 Group of new and state-of-the-art materials now being

developed, and expected to have significant influence on
present-day technologies, especially in the fields of medicine,
manufacturing and defense.
 Smart/Intelligent material system consists some type of
sensor (detects an input) and an actuator (performs
responsive and adaptive function).
 Actuators may be called upon to change shape, position,
natural frequency, mechanical characteristics in response to
changes in temperature, electric/magnetic fields, moisture,
pH, etc.
 Future materials
ASET
(contd…)
 Four types of materials used as actuators:
Shape memory alloys- used to convert electromagnetic energy into
mechanical energy and vice versa.
Piezoelectric ceramics- used to convert electromagnetic energy into
mechanical energy and vice versa.
Magnetostrictive materials- used to convert electromagnetic energy
into mechanical energy and vice versa.
Electro-/Magneto-rheological fluids- which can be transformed from
the liquid state into the solid state in milliseconds by applying an
electric or a magnetic field, are smart fluids having the potential to
revolutionize several industrial sectors
 Materials / Devices used as sensors ASET

Optical fibers- refers to the technology that transmits information as light pulses along
a glass or plastic fiber.

Piezoelectric materials- Piezoelectric materials are a special type of dielectric

material that can accumulate electrical charge under an applied mechanical stress, resulting
in the presence of opposite charges on the surfaces of each end of the material and producing
a weak voltage.

Micro-electro-mechanical systems (MEMS)- A MEMS is a miniature

machine that has both mechanical and electronic components. The physical dimension of a
MEMS can range from several millimeters to less than one micrometer, a dimension many
times smaller than the width of a human hair.

Silicon, the basic material employed in integrated circuit (IC) technology and MEMS.
 Future materials (contd…)
ASET

 Typical applications:

- By incorporating sensors, actuators and chip processors into

system, researchers are able to stimulate biological human- like
behavior.
- Fibers for bridges, buildings, and wood utility poles.
- They also help in fast moving and accurate robot parts, high speed
helicopter rotor blades.
- Actuators that control chatter in precision machine tools.
- Small microelectronic circuits in machines ranging from
computers to photolithography prints.
- Health monitoring detecting the success or failure of a
product.
 Modern materials’ needs ASET

 Engine efficiency increases at high temperatures;

requires
high temperature structural materials.
Use of nuclear energy requires solving
problems with residue, or advance in nuclear waste processing.
Hypersonic flight requires materials that are light, strong and resist
high temperatures.
 Optical communications require optical fibers that
absorb
light negligibly.
 Civil construction – materials for unbreakable windows.
 Structures: materials that are strong like metals and
resist
corrosion like plastics.
 ASET

Matt
•er
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.
 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 ASET
solid and
Amorphous solid
Crystalline Solids Amorphous Solids
1. Atoms or molecules have regular Atoms or molecules are not arranged in
periodic arrangements a 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 Amorphous solids breaks into irregular
planes and hence the crystal pieces shape due to lack of crystal plane.
have regular 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 COVALEN METAL &

CRYSTALS T ALLOYS
CRYSTALS

SEMICONDUCTORS POLYMERS CERAMICS

COMPOSITE
GLASSES
MATERIALS
 ASET

IONIC CRYSTALS

• NaCl is used for cooking purpose

which make food tasty.
• Preservation of cheese,
products, meat, dairy
sauces. pickles
• CaCl2 salt is used asand
Road salt to
remove snow fallen on road in
Cold countries. It lowers the
freezing point of water.
• Potassium chloride 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. DIAMOND GRAPHITE
Example :Diamond,
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 Example : copper

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

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)
 Polyme ASET

High r weight
molecular
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 : nylon
polyester,
Bakelite etc.
Types of polymers:Can be
1.Thermoplastics:
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 ASE
T
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 inert

solid 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 ASE
T

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 ASET

• Cell
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.
•
 Important properties of ASET
the unit 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 ASET

Lattice (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 ASET
System
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

• In this(CCP):
lattice along with the corner atoms,
the base and opposite face will have centre
atoms
 Bravais ASET

Lattices
• 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 ASET
cells
 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 ASET

Factor
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 ASET

definitions
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
 Important ASET
definitions
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 ASET

Crystal
• 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
ASET
Cubic
• 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
 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

 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
the simple volume
cubic of is occupied by atoms. The
unit cell
void space is 48%
•Example: Polonium crystal. Hence this structure is
loosely packed.
 Body Centered ASET

Cubic
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
 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
E
• The diagonal length = 4r F

• From ∆ le ABC AC = AB + BC
2 2 2
G
D

= a2 + a2 =
• A
2a2 a
From ∆ le ACD AD 2 = AC2 + CD2
AC =
• = 2a2 + C
a
B

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

r=
 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 ASET

Cubic
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).
 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 ASET

indices
• 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
 Methodology to ASET
define directions in cubic
crystallographic
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 ASET


Indices
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!
https://msestudent.com/miller-indices/
 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

diffraction
X-ray diffraction (XRD) is a materials science
technique that uses X-rays to determine a material's
crystallographic structure. The method works
by irradiating a material with X-rays and then
measuring the scattering angles and intensities of
the X-rays that leave the material.

The resulting diffraction patterns can reveal details

about the material's atomic positions and electron
densities. XRD can also be used to identify materials
based on their diffraction patterns, and to determine
how the structure deviates from ideal due to defects
or internal stresses.
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

Bragg's law of X-ray diffraction explains how X-rays

interact with a crystal lattice to produce a
diffraction pattern at specific angles.

The law explains the relationship between X-ray

light and its reflection off a crystal's surface. When
X-rays hit a crystalline solid, the waves scattered
by the atoms interfere with each other

The law states that constructive interference

occurs when the difference in path length between
beams reflecting off two atomic planes is a whole
number (n) of wavelengths (λ), or nλ
 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,
• λ is the wavelength of the beam.
 Applicatio ASET

n
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 ASET

Facts
• 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
 ASET

Material Science (MATS201)

Topic: Mechanism of Plastic Deformation

Subtopic: M1L6
Mechanism of Plastic Deformationby 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
 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 profoundimpacton

the macroscopic properties of
materials.
 Crystal ASET

Imperfections/ Defects

Why would we want

to study
defects?
 Affect properties of ASET

material

Electrical Mechanical e.g., strength,

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

Optical Kinetic e.g.,

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

Solids

Every lattice point

Ideal
has exactly the
structure
same
of a solid
environment

Deviations
from Defect
ideal s
structure
 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

according to classified
dimensionality of
geometry or defect. the

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
•Intrinsic defects

These defects are present for thermodynamic reasons and

are related to the presence of vacancies (missing atoms),
interstitial atoms (added atoms), or antisites (exchanged
atoms for polar material). Examples of intrinsic defects
include Schottky and Frenkel defects, which are thermally
created and do not depend on impurity concentrations. For
example, a vacancy in a silicon crystal is an intrinsic
defect that can impact its electrical and thermal
properties.

•Extrinsic defects
These defects are not required by thermodynamics and
can be controlled by purification or synthetic
conditions. They are caused by the presence of foreign
atoms in the crystal structure. For example, doping a
 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.

Vacanc
y
distortio
n
of
planes
 Self-Interstitial ASET

⚫If the matrix atom occupies its own

interstitial site, the defect is called Self
Interstitial.

⚫Self-interstitialsin metals introduce large

distortions in the surrounding lattice.

self- interstitial
distortion
of planes
 For Ionic Solids, Frenkel and ASET
Schottky
defects are likely to form.
 Schottky Defects

Schottky defect is a type of point defect or imperfection in solids which

is caused by a vacant position that is generated in a crystal lattice due to
the atoms or ions moving out from the interior to the surface of the
crystal.
 Frenkel Defects

A Frenkel defect is a type of point defect in crystalline solids that

occurs when an atom or smaller ion leaves its place in the structure to
create a vacancy and then moves to a nearby location to become an
interstitial. This defect is also known as a dislocation defect or
Frenkel pair/disorder.
 DEFECTS IN CERAMIC STRUCTURES ASET

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

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

Shottk
y Adapted from Fig.
Defect 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,
Structure , John Wiley
Frenkel Sons, Inc., p. 78.)
Defec
and See
t Fig. 12.21, Callister

• Equilibrium concentration of defects

6e.
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 ASET

Surfaces
⚫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 any external force acting upon a
as
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 ASET

Deformation
1. Initial 2. Small load 3.
Unload

bonds
stret
ch

return
to
initial

F

Elastic means reversible. 102

 Plastic Deformation ASET

(Metals)
1. Initial 2. Small load 3.
Unload

linear

linear
Plastic means permanenetl.astic elastic
103 
 Plastic Deformation ASET
(permanent)
• 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 ASET

• Deformation
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
105
as
intended.
 Plastic ASET

• There
deformation
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
Mechanisms ASET
•
those (Metals)
Theoretical strengths of perfect crystal are much
higher than 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
108
hump is representative of the extra ½-
 ASET

Slip
 Dislocations Systems
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 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.
 Twinin ASET

g
• 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 ASET
Twinning

• 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