Merge 1

Material Science and
Engineering
Dr Faizan Mohammad Rashid
BITS Pilani Assistant Professor
Mechanical Engineering
Pilani Campus
BITS Pilani
Pilani Campus
Material Science and Engineering

Module 1; Lecture No. 1
Introductions to Material Science
Date: 23/08/2021
The Materials World
Material Science and Scientist

• The discipline of investigating the relationship that exists
between the structure and properties of a material
• Professionals involved in the development and synthesis new

materials are Materials Scientist
Material Engineering and Engineer

• The discipline of designing the engineering components based
on the established structure-property correlations
• Professionals involved in designing new products from the
existing materials are Materials Engineers
Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

The Materials World
• The science and engineering of materials involves four interrelated
components
• These four components considered with regard the design, production

and utilization of material
• Performance of a material depends on its properties, which are a

function of its structures and structures are determined by how the
material was processed
Processing Structure Properties Performance

Historical Evolution of Materials
• Evolution of Materials and Mankind goes hand in hand
• Development of societies have been closely tied to the ability to

produce and handle materials
• Early civilizations have been designated by the level of their

materials development, i.e. Stone Age, Bronze Age, Iron Age, etc.

• Stone Age
– Stone, wood, clay, skins
• Bronze Age
– Casting and Forging processes

• Iron Age
– Development high temperature furnaces
• Steel Age
– High strength alloys

• Non-ferrous and Polymer Age

– Aluminum, Titanium, Super alloys - aerospace applications
– Plastics and Composites for food prevention, housing
• Exotic Material Age?

– Nano-materials, Bio-materials, and Smart materials

Future of Materials Science
• Evolution of Materials and Mankind goes hand in hand
• Material science is ever growing filed
• There is always a quench for better to best materials
• AI-based material development is the present trend

Material we have now
• Metals
– Strong and Ductile
– High thermal and electrical conductivity
– Opaque and reflective
• Polymers/plastic
– Soft, ductile, low strength, low density
– Thermal and electrical insulator
– Optically translucent or transparent
• Ceramics
– Ionic bounded refractory materials
– Compound of metallic and non-metallic
– Brittle, glassy and elastic
– Non-conducting
Basic Engineering Materials Properties
1. Mechanical Properties
2. Electrical Properties
3. Thermal Properties
4. Magnetic properties
5. Optical properties
6. Deteriorative properties

• Electrical Properties
• It is materials responses to an applied electric field
• Electrical conductivity: The ease with which a material is capable
of transmitting an electric current
• Electrical resistivity: Reciprocal, of electrical conductivity On the
basis of its conductivity, a material is classified as conductor,
semiconductor, or insulator

• Electrical Properties
• The electrical properties of the materials are influenced by
temperature, deformation process and alloying element
• Pure copper has lowest resistivity at the lowest temperature
• As temperature and Nickel contents increases, its resistivity
increases

• Thermal Properties
• It refers the response of a material to the application of heat
• Thermal conductivity: The ability of material to transfer thermal
energy from high to low temperature regions

• The thermal conductivity is relatively high in pure metals and
reduced by adding alloying element
• Copper has highest conductivity at pure form, whereas weaken
with adding Zinc

• Heat capacity, thermal expansion, and thermal conductivity are
properties that are often critical in the practical utilization of solids
• Low conductive materials is required when application don’t need
to transfer heat, such as refrigerator door;
• High conductive materials are designated, whereas, applications
demands transfer the heat, such as pressure cocker bottom

• Magnetic Properties
• It demonstrate the response of a material to the application of a
magnetic field
http://hyperphysics.phy-astr.gsu.edu/hbase/Solids/ferro.html

• Magnetic Properties
• Application: Computer storage system, electrical power generators,
transformers, electric motors, telephones etc.
• The magnetic properties of material can be strengthen by adding
alloying elements
• Ex: Pure Iron Magnetization of iron based on alloy composition

• Optical Properties
• It refers to a material’s response to exposure to visible light
• Material may be transparent, translucent or opaque
depending on material structure which governed by
processing method

• Optical Properties
• Transmittance: Aluminum oxide may be transparent,
translucent, or opaque depending on the material structure.
Single Crystal Polycrystalline: Polycrystalline:

Low Porosity High Porosity
Transparent Translucent Opaque

• Deteriorative Properties
• It refers to material performs under the particular surrounding
• Significant reductions in mechanical strength may result from
exposure to elevated temperatures or corrosive environments
Pure
Heat
treated

Material Selection Process
Step 1:
Pick Application  Determine required Properties

Properties: Mechanical, Electrical, Thermal, Magnetic, Optical,
Deteriorative
Step 2:
Properties  Identify the candidate Materials

Material: structure, composition
Step 3:
Material  Identify required Processing

Processing change structure and overall shape. Ex; casting, sintering,
forming, joining, annealing

Summary
Course Goal
• Use the right materials for the job
• Understand the relation between properties, structure and

processing
• Recognize new design opportunities offered by materials

selection

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Different Structures of Materials
Date: 06/09/2022
The Materials World
Material Science and Scientist

• The discipline of investigating the relationship that exists
between the structure and properties of a material
• Professionals involved in the development and synthesis new

materials are Materials Scientist
Material Engineering and Engineer

• The discipline of designing the engineering components based
on the established structure-property correlations
• Professionals involved in designing new products from the
existing materials are Materials Engineers

Materials Structures
Agenda
1. What are different scales to study material’s structure?
2. What are the influences of theses structure on properties of

materials?
3. What are the different tools available to analyses theses

structures ?

Structures of materials
and its Influence

Structure of materials
It relates the arrangement of its internal components

1. Subatomic structure
2. Atomic structure
3. Crystal structure
4. Microscopic structure
5. Macroscopic structure

Atomic Structures of Materials
– Atoms are the building block of matter
– It is first and basic structure of engineering materials
– Atoms are made up of Electrons, Protons and Neutrons
– Subatomic structure: Electrons, Protons, and Neutrons individually
are called as subatomic structure
– Atomic structure = Protons + Neutrons + Electrons
– Length scale : 1 – 100 Ao ( ≈ 10-10 m)
– Device used for study: Atomic field microscope

Influence on Atomic Properties
– If there is a change in Atomic structure, It will primarily

influence the chemical, thermal and electrical properties of
the materials
– Ex: Amount of free moving electrons defines the thermal
conductivity of the materials
– Metals have free electrons, it’s made them better conductor
of heat and electricity over the polymers and ceramics

– It also influences the bonding characteristics

Crystal Structures of Materials
– It is periodic arrangement of different atoms, ions or

molecules in material into a regular repeatable lattice
– Each repeating block is called “Unit cell” represented as
connected “Ball-stick” arranged in all the directions
– Length scale of structure is 3 – 100 nanometer ( = 10-9 m)
– Tools available for analysis: X-ray diffraction
Simple Cubic Body Cantered Cubic Face Cantered Cubic

SC BCC FCC

Micro Structures of Materials
Metal Solidification process

– Molten metal solidifies as collection of small crystals
– Grain structure influences the mechanical properties of metal
Micro structures for hypo-eutectoid stainless steel

– Length scale of structure is 50 –10000 micrometer (=10-6 m)
– Tools available for analysis: Electronic microscope, SEM/ TEM
– This typically deals with feature such as
» Average grain size
» Grain size distribution
» Grain orientation
» Defects in materials

Influence of microscopic structure

– It influences the strength and optical properties of materials
– Fine grain structure of the material improves the strength
– Fine grain structure has better strength over coarse grain

Macro Structures of Materials
Macroscopic structure
– Length scale of structure is up to 1 meter
– Tools available for analysis: Light optical microscope
– Structural elements that may be viewed with the naked eye
– Typically features include

» Porosity
» Internal or external micro cracks
» Surface coatings

Summary
I. Atomic/subatomic structure
1) Electrical 2) Thermal conductivity
II. Crystal structure

1) Ductility 2) Formability
III. Micro structure

1) Strength 2) Optical
IV. Macro structure

1) Color 2) Surface finish Forming processes: Process of
designing with no material removal
to deform the materials into pre-
defined geometrical shapes

Why to study the
materials structures ?
1. To determine the structures and associated properties of materials
2. To identify suitable process to get the desired structures
3. To improve the structures in order to improve the properties
4. Selecting the materials for a particular applications

Bonding in Solids
Agenda
1. What are the effect on atomic structure on material selection?
2. What are different types of bonding in Materials?
3. How atomic structure effect the bonding?

4. What are the influences of bonding on their properties?

Valence electrons determine all of the following properties

1. Chemical
2. Electrical
3. Thermal
4. Optical

Electro +ve and –ve elements
Give up 1e-
Inert gases
Give up 1e-
Accept 2e-
Accept 1e-
Give up 1e-
• Electro-positive elements tend to donate electrons and form positive ions, e.g.
the univalent alkali metals Li+, Na+, Ca2+
• Electro-negative elements readily accepts electrons and form negative ions, e.g.
the halogen non-metals Cl-, Br-, O2-
• Metalloid: An element that has properties that are intermediate between those of
metals and nonmetals. Metalloids can also be called semimetals
Ionic Bond
Ionic Bond = Metal + Non-metal

Energetics of Ionic Bond Formation
System with minimum energy is stable
• Attractive forces: electron–proton interactions → + A/r12

• Repulsive forces: electron–electron and proton-proton interactions → - B/r6
• The energy of the system reaches a minimum at a particular distance (r0)
when the attractive and repulsive interactions are balanced

Example of Ionic Bond
Ionic Bond
• Ionic crystals exists mostly in crystalline form

• They have a strong interaction between the ions
• They are poor conductors of electricity as they don't have free ion
• They are hard and have high melting point

Ionic Crystals: Natural Beauty

Covalent Bond
• Elements having same electronegativity, shares electron
• Electrons present in s and p orbitals participate
• Example: Methane
o has 4 valence e- o has 1 valence e-

o needs 4 more e- o needs 1 more e-

Covalent Bond
• Elements having same electronegativity, shares electron
• Electrons present in s and p orbitals participate

Properties influenced
by bond energy: Tm

Properties influenced
by bond energy: α
Coefficient of thermal expansion
L
  (T2  T1 )
L

Ionic-covalent mixed bonding
• Ionic-covalent mixed bonding with various ratios of the two fractions,
i.e., ionic and covalent, occurs in most of ceramic materials
• Ionic-covalent mixed bond exists when the electronegativity difference
is somewhere in between generally more towards the covalent side
(small electronegativity difference)
• When this is formed, the result is an unequal sharing of electrons
between atoms
• Degree of Ionic character can be estimated from the following formula:

Chemical Bonding in Metals
Metallic bond
• Metallic bond involves electron sharing similar to the covalent bond
• In a metallic bond, valence electrons are delocalized
• Electrons are mobile and can therefore be associated with any of
the plentiful adjacent atoms
• Electrons form an electron cloud around the atoms, which is the
basis for classic metallic properties such as: high electrical
conductivity, ductility and luster

Secondary Bonding
• Secondary bonds are bonds with much smaller bonding energies
that do not involve the transfer or sharing of electrons
• These bonds are caused by permanent or temporary dipoles within
the atom or molecule
• The bonding results from the columbic attraction between the
positive and negative region of adjacent atoms

Summary of different
types of Interatomic Bonds

Effect of Bonding
on Material Property

Properties of Chemical Bonding

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Bravice Lattice and Miller Indices
Date: 07/09/2022
1
The Materials World
Agenda
• What is a crystal system?
• What are different type of crystal systems?
• How to identify direction in a cubic crystal ?
• How to identify planes in a cubic crystal?

Bravais Lattice
+ =
Basis Lattice Crystal
Basis Lattice
Entities such as an atom or a group of The underlying periodicity of the
atoms associated with each lattice point crystal
What to repeat ? How to repeat ?

Unit Cell
– “Unit cell” is the repeating blocks in a strcutrte

– Represented as connected “Ball-stick”
– Unit cell is characterized by
1. Length of sides: a, b, c
2. Angle intercepted between them: α, β, γ (needn't be 90o)

Types of Crystal System
– Unit cell is characterized by

1. Length of sides: a, b, c
2. Angle intercepted between them: α, β, γ (needn't be 90o)
– Based on different combinations of length and angle
we get 7 distinct crystal system

7- distinct Crystal System

7- distinct Crystal System

Basic definitions
In a Unit Cell
1. What is Crystallographic Points ?
2. What is Crystallographic Directions ? How to locate them
3. What is Crystallographic Planes ?

Crystallographic Points
• Defines location of a point in the unit cell with reference to
the origin of the unit cell in terms of length of sides a, b, c

• Example: Point coordinates for unit cell center
a/2, b/2, c/2 or ½, ½, ½
• Example: Point coordinates for unit cell corner

a, b, c or 1, 1, 1

• Example: Locate the point with coordinates ¼ ,1, ½ on a unit cell

Crystallographic Directions
Miller indices
• A shorthand notation to describe certain crystallographic directions
and planes in a material
• Procedure to determine: Three directional indices, i.e. Miller indices

1. Vector repositioned to pass through origin of cube
2. Read off projections in terms of unit cell dimensions a, b, and c
3. Adjust to smallest integer values

[111]
4. Enclose in square brackets, no commas [u v w]
5. Example: P: 1, 0, ½ => 2, 0, 1 => [201] Q

[201] P
6. Example: Q: 1, 1, 1 => 1, 1, 1 => [111]

Miller indices
X=1,Y=½,Z=0 X=½,Y=½,Z=1
Point: [1 ½ 0] Points: [½ ½ 1]
Miller Indices: [2 1 0] Miller Indices: [1 1 2]

Miller indices
X=1,Y=½,Z=0 X=½,Y=½,Z=1
Point: [1 ½ 0] Points: [½ ½ 1]
Miller Indices: [2 1 0] Miller Indices: [1 1 2]

Negative Miller indices

Family of <110> directions

Hexagonal crystal structure
• The arrangement of hexagonal crystal structure is represented by
four axes as (hkli)
• Three axes a1, a2, and a3 are within a single plane (called the basal
plane) and are at 120 angles to one another
• The z axis is perpendicular to this basal plane
• The example of Hexagonal crystal structure is Zinc

Miller-Bravais Indices for
Hexagonal crystal structure

Crystallographic Plane
• A crystallographic planes are specified by 3 Miller indices h k l
• Represented in enclosed round brackets, no commas (h k l)
• Within a crystal lattice it is possible to identify sets of equally
spaced parallel planes
• All parallel planes have same Miller indices

• Miller Indices are a symbolic vector representation for the
orientation of an atomic plane in a crystal lattice
• Crystallographic Plane is defined as the reciprocals of the
fractional intercepts which the plane makes with the
crystallographic axes
• Procedure to determine: Miller indices of a plane

1. Determine the intercepts of the plane along each of the three
crystallographic directions
2. Take the reciprocals of the intercepts
3. If fractions result, multiply all the denominator of the smallest fraction



X-ray diffraction

X-ray diffraction test

What is the significance of Miller
Indices in crystallographic studies?
• Miller indices define coefficients of imaginary planes in a crystal
• According to the 1912 Bragg interpretation of X-ray diffraction, X-rays can be
thought of being reflected by such planes, and produce a Bragg
peak/diffraction, subject to the condition being followed as per Bragg’s law
• Now, since the Miller indices when arranged sequentially, themselves form a
3-D lattice, it gives rise to an elegant construction of diffraction space
• Such a construction leads to the reciprocal lattice, which when superposed
on the Ewald sphere in a particular way, allows one to
construct the diffraction space
• Thus, the entire diffraction by a crystal can now be seen as the image of the
reciprocal lattice
• For detailed discussion please refer 
9 9 Identification of crystal structure by XRD Mohammed Jamsheed (RS) Dr. Sachin Belgamwar

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Types of Crystal Structures
Date: 09/09/2022
1
Crystal Structures
Agenda
• Atomic packing factor?
• What is coordination number?
• What are different types of crystal structures?
• What is the difference between single crystal and polycrystalline

materials?
• What is amorphous solids ?
• Benefit of Single Crystal over polycrystalline materials
Dr Faizan Rashid, PhD, IIT-Madras, faizan.iitm@gmail.com BITS Pilani, Pilani Campus

Energy and Packing
Non-dense and random packing
Dense and regular packing
Dense, regular-packed structures tend to have Higher Bond Energy

Density of Crystal Lattice
1-Dimensioanla packing Fraction: Linear Density (L.D)

– Number of atomic radii per length whose centers lie on the
direction vector for a specific crystallographic direction
No of radius ontheline
L.D 
Length of theline

Density of Crystal Lattice
2-Dimensioanla packing Fraction: Planar Density (P.D)

– Number of atoms per unit area that are centered on a particular
crystallographic plane
No of atoms centered on a plane
P.D 
Area of the plane

1
Atomic Packing Factor (APF)
3-Dimensioanla packing Fraction: Volume Density (V.D)

• Atomic Packing Factor (APF) tells what percent of an object is
made of atoms vs empty space
• It can be considered as volume density
• It is an indication of how tightly-packed the atoms are
Volume occupied by atoms in each unit cell

APF 
Volume of each unit cell
N atmosVatoms
APF 
Vunit cell

1
Coordination No (CN)
• The number of nearest-neighbor or touching atoms is called as
the coordination number (CN) of the crystal

Simple Cubic (SC) Crystal

Lattice Parameters of SC
Coordination No
• An atom in a simple cubic lattice structure contacts six other
atoms, so it has a coordination number of 6
• Examples: Polonium, Po, is the only metal exists as SC in
nature

Lattice Parameters of SC
Atomic Packing Factor, AFP
1
N atmos  8   1
8
N atmosVatoms a  2r
APF 
Vunit cell
4
1.  r 3

 3 3   0.52
(2r ) 6
 52%

Body Centered Cubic (BCC) Crystal

Lattice Parameters of BCC
Coordination No
• Atoms in the corners do not contact each other but contact the
atom in the center
• A unit cell contains two atoms: 4 atom at the top and 4 atom at the
bottom of the central atom
• Thus, BCC structure has a coordination number of (4+4)=8
• Examples: K, Ba, Cr, Mo, W, and Fe at room temperature

Lattice Parameters of BCC

B
B
1
N atmos  8   1  2 4r
8 4r a
A C A C
N atmosVatoms 2a
APF 
Vunit cell
4 3 B
2.  r
3  3 4r
 3
  0.68 a
 4r  8
3
 
 3  C
 68% A

Face Centered Cubic (FCC) Crystal

Lattice Parameters of FCC
Coordination No
• A FCC unit cell contains four
atoms: one-eighth of an atom at
each of the corners and one-half
of an atom on each six faces
• The atoms at the corners touch x
the atoms in the centers of the
adjacent faces along the face
diagonals of the cube x
• Thus, FCC structure has a x x
coordination number of 12
x
• Ex: Aluminum, copper, and lead x

Lattice Parameters of FCC

C
 1  1
N atmos  8    6   4
 8  2 4r
a
N atmosVatoms
APF 
Vunit cell A a B
4
4.  r 3
 3
 3 3   0.74
 4r   a 2  a 2
2
a 8
 74% a
4r
2
Hexagonal Close-packed (HCP)

Lattice Parameters of HCP
Coordination No
• A HCP unit cell contains:
three atoms in the middle
layer, and 1/6th of the atom
at the each vertices
• The total number of atoms
in the cell is
3 + (1/2)×2 + (1/6)×6×2 = 6
• Each atom touches other
twelve atoms
• Thus, HCP structure has a
coordination number of 12 Reference
point
• Ex: Beryllium, Magnesium
and Titanium
Lattice Parameters of HCP

C
C
 1  1
N atmos   6     2     3  5 h
4r
 6  2 4r
h
N atmosVatoms A B
APF  A B
a
Vunit cell a
4 3
5.  r
a  2r
 4r    h   a 2
2 2
 3 3  0.74
8 2r 2
 74% h  4 .r
3
Idealized crystal arrangement
in 3 dimensional solid

Solidification of molten metal
• Crystal structure is the periodic arrangement of different atoms,

ions or molecules in material into a regular repeatable lattice

Types of crystal arrangement

Single Crystalline Materials
• Periodic and repeated arrangement of atoms is perfect or extends

through the entirety of the specimen
• Unit cells interlock in the same way and have the same orientation
• Can be produced naturally and artificially by controlled solidification
• Example: Diamond, sapphire (used in lenses for cameras in
smartphones), Silicon (used in manufacturing computer chips)

Polycrystalline Materials
– Comprised of many individual grains or crystallites

– Each grain can be thought of as a single crystal within
which the atomic structure has long-range order
– Usually, ceramics and metals are polycrystalline

Amorphous Materials
– No regular arrangement of atoms; the atoms are intermingled

– Example: Glass, plastic

Types of crystal arrangement

Different Crystalline materials

Usage of Single Crystalline
materials in Gas Turbine
Low Temp High Temp
Grain Weak Strong
Grain boundary Strong Weak
Poly Single
crystalline crystalline
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Crystal Imperfections: 0-Dimensional Defects
Date: 13/09/2022
Crystal defects
Agenda
• What are crystal defects?
• Different types of crystal defects?
• Defects and their influence on properties of materials?
• How alloying, strengthens the materials?
3
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Introduction to Defects
• An ideal crystals should have a regular periodic arrangement of atoms

• Any deviation from this periodicity is known as defects or
imperfections in crystals
• The crystal defects affect the properties such as mechanical strength,
ductility, dielectric strength, magnetic hysteresis, conductivity, etc.

Imperfection in Nature

Perfect and Real Crystals
• Perfect Crystal is an idealization that does not exist in nature.

Even, if there is perfect periodicity atoms are distorted on the
crystal surface causing interruptions in the periodicity
• Real Crystals always have foreign particles and missing atoms

disrupting the periodicity of crystal structure
6
Imperfection a need
“Interestingly, sometimes defects are deliberately created to

improve properties of crystal”
 Some important properties of crystals are controlled by

imperfections and by the nature of the host crystal
Ex. 1. The conductivity of semiconductors is due to traces of

chemical impurities
https://lastminuteengineers.com/pn-junction-diode/
Imperfection a need
Ex. 2. Color, luminescence of many crystals arise from impurities
and imperfections
I. Add some iron to clear, pure quartz and it

becomes purple
II. Inclusions of Fe3+ cause the yellow color in citrine
III. Trace of titanium or manganese turn quartz pink
IV. Yttrium, a known coloring agent, in fluorite
constituted 0.2% of the sample
V. Inclusions of iron Fe3+ turns beryl blue color
VI. Fe3+ in beryl structure turns it yellow
VII. Mn2+ turns morganite pink
VIII. In beryl red color is due to Manganese, Mn3+
https://www.treasuremountainmining.com/index.php?route=pavblog/blog&id=38

Imperfection a need
Ex. 3. Atomic diffusion are accelerated enormously by adding
impurities or imperfections
9
Imperfection a need
Ex. 4. Mechanical properties are controlled by imperfections
o Theoretical strength of solids should

lie in the range of 3 - 30 GPa
o However, real values observed
strength is 0.5 -10 MPa
Reason
o The assumption of perfectly crystal is

a myth
o Inherent impurities induces weaker
zone in metals

Types of Imperfections
Definition: “Crystalline defects” is the lattice irregularity in

one or more dimensions on the order of atomic diameter
• Vacancy atoms
• Interstitial atoms
• Substitutional atoms
• Points defects
• Line defects
• Dislocations
• Grain boundaries
11
Classification of defects
based on dimensionality
https://www.youtube.com/watch?v=kx37U4ahyec

based on types of crystals
Vacancy
Non-ionic Interstitial
Impurity
crystals
Substitutional
0D
(Point defects) Frenkel defect
Ionic
Other ~
crystals
Schottky defect
Imperfect point-like regions in the crystal

about the size of 1-2 atomic diameters

Point defects
Attributes of Point defects

– Point defects are of zero-dimensional i.e. atomic disorder is
restricted to point-like regions
– It is highly localized as it occur only around a single lattice point

Point defects
Vacancy defects
– Vacancies are simplest point defects in a crystal which refers to
a missing atom at its site
– Occur due to imperfect packing during crystallization or due to
thermal vibrations of atoms at high temperature
– At high temperature atoms frequently and regularly change
their positions leaving empty lattice sites behind their positions
– This results in decrease in density of the substance
Vacancy

Vacancy Defect Calculation
• The presence of vacancy site speed up the

diffusion process inside the solid
• When material is heated other elements

are absorbed at surface and occupied
vacancy sites. This is advantages and
used Surface Hardening such as
carburizing and nitrating of steel

Point defects
Vacancy defects
Cause: vacant atomic sites in a structure
Types of Vacancy defects

1. Schottky defects
2. Frenkel defects
Vacancy

Point defects: Vacancy
1. Schottky defects: ion-pair Vacancy

– Cause: Missing pair of anion and cation
– It is predominant in ionic crystals
– Examples: Alkali halides such as NaCl,
KF, etc
– Cause: When a +ve ion from the interior of
the lattice moves out of the crystal to its
surface, then a +ve vacancy is formed at
its site
– Formation of +ve vacancy results in
excess negative charge inside the crystal
– To maintain charge neutrality, a –ve ion
moves to the crystal surface creating a –
ve ion vacancy at its site
– Results: It also decreases the density of
crystal

Point defects: Vacancy
2. Frenkel defects: Displaced ion

– Cause: When an atom or pair of
cation and anion leaves its
regular site and occupy nearby
interstitial site it give rise to
Frenkel defect
– A vacancy and interstitial defects
are created. This pair of defects
is known as Frankel defect
– In case of Frankel defect also
charge neutrality is maintained
– Examples: Silver halides such as
AgBr, AgCl etc

• Vacancies are function of temperature and number of vacancies are

increased exponentially with increasing temperature
• The number of vacancy defects, Nv are calculated using the equation
Activation energy
No. of defects
Nv -Qv
= exp
No. of potential N kT
defect sites
Temperature
Each lattice site is a Boltzmann's constant
potential vacancy site
(1.38 x 10 -23 J/atom-K)

r = 8.4 g /cm3 A Cu = 63.5 g/mol

T (ºC) NV/N
Q v = 0.9 eV/atom N A = 6.02 x 1023 atoms/mol
0.9 eV/atom 500 1 x 10-10
Nv  - Q 
= exp 
 v
= 2.7 x 10-4
N  k T  1000 1 x 10-5
1273K
8.62 x 10-5 eV/atom-K 1500 5 x 10-4
NA
For 1 m3 ,N= r x x 1 m3 = 8.0 x 1028 sites
A Cu 2000 3 x 10-3
Nv = (2.7 x 10-4)(8.0 x 1028) sites = 2.2 x 1025 vacancies

Point defects: Interstitials
Interstitials defects
– Cause: Addition of an extra atom in interstitials sites
– It increases the density resulting in atomic distortion
– Example: Carbon atoms are interstitial impurity added to Iron
to make steel
– If the matrix atom occupies its own interstitial site, the defect
is called self interstitial defect
Relative size
Compressive
Stress Fields

Point defects: Substitutional
Substitutional defects
– Cause: When an foreign atom occupies the one of the
positions of the parent atoms of the crystal, then such a
defect is known as substitutional defect
– A substitutional impurity atom is an atom of a different type
than the bulk atoms
– Example: Zinc atoms are substitutional impurity atoms that
are added to Copper to make Brass
Tensile Stress
Compressive
Fields
stress fields

Summary of Point defect
Point defects: (a) Vacancy (b) Interstitial (c) Substitution atom

(d) Frenkel defect (e) Schottky defect

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Crystal Imperfections: 1-Dimensional Defects
Date: 14/09/2022
Crystal defects
Agenda
• Line Defects or Dislocation
• Edge Dislocations and their influence on plastic deformation
• Screw Dislocations
3

1-Dimensional Defects
Line defects
– 1-dimensional defects around which atoms are misaligned
– Cause: Generated in crystals due to growth accidents,
thermal stress, phase transformation etc.
– At line defect, atoms are out of position in the crystal
structure
– Interatomic bonds significantly distorted in immediate vicinity
of dislocation line
– Responsible for mechanical deformation
Types of line defects
1. Edge dislocations
2. Screw dislocations
3. Mixed dislocation

– 1-dimensional defects around which atoms are misaligned
– Cause: Generated in crystals due to growth accidents,
thermal stress, phase transformation etc.
– Perfect crystal is cut by an extra half plane of atom

– The vertical planes does not extend to the full length, but ends
in between within the crystal, called edge dislocation
– Above the discontinuity, the atoms are squeezed and are in
state of compression
– Below the discontinuity, the atoms are pulled apart and are in
state of tension
– Deformation of materials: To slide upper block over lower row,
only a line of bonds needs to be broken at a time

2. Screw dislocations
– The screw dislocation is slightly more difficult to visualize
– It is a defect in which the atoms are not arranged in a line but
they are in the form of a screw thread which spirals down
from one end of the crystal to another in the form of a helix
– In this dislocation, the atoms are displaced in two separate
planes perpendicular to each other

3. Mixed dislocations
– Most dislocations found in crystalline materials are neither
pure edge nor pure screw but components of both types;
these are termed mixed dislocations

Slip due to Dislocation Motions
• Edge dislocation line moves

parallel to applied stress
• Screw dislocation line moves

perpendicular to applied stress

Burger vector
– Entity denoted by “b” characterize the dislocation

– It helps us to describe the size and the direction of the main
lattice distortion caused by a dislocation
– It is qualified as the amount of mismatch in position
between going around a path in the perfect crystal
– The vector linking the end of the circuit to the starting point
is the Burgers vector, b = QM.

Burger vector for crystal
with dislocation
The vector b connecting the endpoint with the starting point is the
Burgers vector of the dislocation
The Burgers circuit for an Edge dislocation:

(A) Perfect crystal and (B) crystal with dislocation

Burger vector for crystal
with dislocation
The vector b connecting the endpoint with the starting point is the
Burgers vector of the dislocation
The Burgers circuit for an Screw dislocation:

(A) Perfect crystal and (B) crystal with dislocation

Burger vector

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Crystal Imperfections: 2 & 3 Dimensional Defects
Date: 16/09/2022

Crystal defects
Issues to address
• 2-Dimensional or Planar defect in crystal defects
• Tilt and twin boundaries
• What are grains and grain boundaries
• Influence of grain boundaries on strength
• Optical microscopic and microstructure

Surface/interface defects
– Surface defects are 2-dimensional defects that separate two
regions of the crystal
– Caused during solidification or mechanical or thermal treatment
of material
– Effect the mechanical, electrical and corrosion resistance
– Surface imperfections are metastable imperfections, If the
crystal is heated at melting point, they disappear
Types of Surface defects

1. Grain boundaries
2. Tilt boundaries
3. Twin boundaries
4. Stacking faults

Grain Boundaries
– Grain boundary is the interface between two grains, or

crystallites in a polycrystalline material
– Grain boundaries are 2D defects in the crystal structure
– It decrease the electrical and thermal conductivity of the material
Nucleation sites Liquid metal Solidified metal Grains Grain boundary

Grain and Grain Boundary

Grain Size and Material Strength

– Once a dislocation reaches a grain boundary, it is pinned
there/ grain boundaries stop dislocations
– The smaller the grain size, the larger will be the total
boundary surface area per unit volume
– Hence, smaller grains structures will have higher strength
– Strengthening the materials by producing smaller-sized grain
is known as Hall-Petch strengthening
– At room temp, grain boundaries are stronger than grain

Single and Polycrystalline Materials

– Dislocation cannot easily cross grain boundaries because of
the change in slip plane and presence of boundaries
– Polycrystalline materials are stronger than single crystals
– At room temp, grain boundaries are stronger than grain
The different grain sizes of C-Mn Steel

Grain Size and Creep resistance

Alarm !!!
– At high temperatures, the grain
boundaries function as sites of weakness
– GB act as sources and sinks for vacancies
at high temperatures leading to creep
– GB are preferred sites for the onset of
corrosion and for the precipitation of new
phases from the solid
– Issue: Creep and Oxidation are problem in
the Aerospace engine
– Single crystal materials which don’t have
any grain boundaries are preferred in
aircraft engine turbine blades

Types of grain boundaries
Tilt Boundary Twin Boundary

• It is formed between two • It is formed when the crystals
slightly misaligned grains on either side of a plane are
intersects mirror images of each other
• It appears as an array of
edge dislocations

Stacking Faults
– Stacking faults are planar surface imperfections caused by
faults in the stacking sequence of atomic layers in crystals
– The stacking faults are usually produced during the growth
of the crystals
– It occurs in FCC and HCP structures
C
B C
B-Plane
A B
C removed
A
X X X X B
C
A A
C C
B B
A A

Microstructure Examination
To predict
To visualize properties and
structure of composition of
materials / materials
morphology based on its
morphology
To design
composite with
new
combination
property
To understood
To visualize
association
defects and
between
mechanical
properties
failure
and structure

Microscopes
Optical Microscope Electron Microscope Scanning Probe Microscope

http://science.kukuchew.com http://rsic.puchd.ac.in/images http://img.directindustry.com/images_
/wpcontent/uploads/2008/06/modernmicros /image002.jpg di/photo-g/scanning-probe-
cope.jpg microscope-spm-47975.jpg

Optical Microscope
1) Optical Microscopy :
• Useful up to 2000X magnification

• Surface is polishing removes
surface features (e.g., scratches)
• Etching to changes reflectance, crystallographic planes
depending on crystal orientation

Specimen Flat Surface
Mount
Brass (Cu-Zn alloy) Fe-Cr alloy

Optical Microscope
1) Optical Microscopy :
• Polarized light is often used to

increase contrast
• Also used for transparent samples
such as polymers
Cast iron with spherulitic graphite,

polished, C-DIC; Dr. H.-L. Steyer,
Kesselsdorf, Germany

Electron Microscopy
2) Electron Microscopy :
• Useful up to 2,000,000X magnification

• Uses focused beam of electrons to magnify target
• 4 main types
 TEM
 SEM
 REM
 STEM
A TEM image of the polio virus.

The polio virus is 30 nm in size

Electron Microscopy
i. Transmission Electron Microscopy (TEM):
• Original form of electron microscope

• Utilizes an electron gun with a tungsten filament
• Image projected unto a phosphor viewing screen

Electron Microscopy
ii. Scanning Electron Microscopy (SEM):
• Scans rectangular area by using a focused

beam of electrons
• Electrons give off differing energies based on
structure of target
• Microscope reads these energies and produces
a visual representation

Grain Size Determination Methods
1) Comparison Chart Ratings
2) Shepherd Fracture Grain Size Ratings
3) Jeffries Planimetric Grain Size
4) Heyn/Hilliard/Abrams Intercept Grain Size
5) Snyder-Graff Intercept Grain Size
6) 2D to 3D Grain Size Distribution Methods

Definition of ASTM Grain Size
G 1
n2
n = number of grains/in2 at 100X
G = ASTM grain size number

ASTM Standards for Grain Size
• ASTM E 112: For equi-axed, single-phase grain structures
• ASTM E 930: For grain structures with an occasional very large grain
• ASTM E 1181: For characterizing duplex grain structures
• ASTM E 1382: For image analysis measurements of grain size, any type

Grain Size Determination
• ASTM standard E112-10

• Determination of planar grain size
Grains in steel at 100x

magnification

Comparison Chart Ratings
– Look at a properly etched microstructure, using the same
magnification as the chart
– Pick out the chart picture closest in size to the test specimen
– If the grain structure is very fine, raise the magnification, pick out
the closest chart picture and correct for the difference in
magnification according to
G  Chart G  Q
Q  6.6.4 Log10 ( M / M b )
Where,
M is the magnification used
Mb is the chart magnification

Jeffries Planimetric Method
• This method is also suited to equi-axed grained steels

• The precision of the planimetric method is a function of
the number of grains counted
• However, the number of grains within the test circle
should not exceed about 100 as counting becomes
tedious and inaccurate
• Experience suggests that a magnification that
produces about 50 grains within the test, the circle is
about optimum for counting accuracy

n1 = no of grains completely inside the test circle

n2 = no of grains intercepting the test circle
NA  f [n1  (n2 / 2)]

NA is the no of Grains/mm2 at 1X
f = Jeffries multiplier
f = (magnification)2/circle area

Average Grain Area is given by
1
A
NA
G  (3.322LogA)  2.955
G 1
n2
n = number of grains/in2 at 100X

Example
M2 1002
f    .0497
A 20106.2
n1  68; n2  41
N A  f  [n1  (n 2 / 2)]
 (0.497)  [68  (41/ 2)]
 44.2 mm2
Average Grain Area is given by
1
A  0.227 mm2
NA
G  (3.322 LogA)  2.955

G  2.5
G 1
n2
 2.82

Henry/Hilliard/Abrams
Intercept Method
• This method is commonly used for high-
speed steel and when the grains are not
equi-axed
• The method consists of finding out the
number of grains intercepted by a line of
known length at a magnification
• Measurements are made at 10 different
places and then, the average is taken

Intercept Method
ASTM E 112 – 96
• Incomplete penetration of the test line into
a grain is scored as 1⁄2 intercept
• If the end of the test line exactly touches
a grain boundary, 1⁄2 intercept should be
counted
• A tangential intersection with a grain
boundary should be scored as 1 intercept
• An intersection apparently coinciding with
the junction of three grains should be
scored as 1 + 1⁄2 intercept

Intercept Method
N = no of grains intercepted
P = no of grains boundary intersections
LT = true length of the test line
Count either the number of grains intercepted, N

or
the number of grain boundary intersections, P
Divide that number by the true line length to get NL or PL
N P
N L  ; PL 
LT LT
Units of NL and PL: mm-1
Intercept Method
• Intercept Count (N)
The test line intercepted 5 whole grains and the line ends
fell in two grains
These are weighted as ½ an interception
So the total is 6 intercepts (N=6)

Intercept Method
• Intersection Counts (P)
The test line has intersected 6 grain boundaries
The ends within the grains are not important in intercept counting
So, P=6 for the intercept count

Intercept Method
• Mean line Intercept, l
1 1
l 
N L PL
G  6.644 Log10 ( N L or PL )  3.288
G  6.644 Log10 (l )  3.288
G 1
n2

Intercept Method
• If the grain structure is not equi-axed, but shows some distortion of
the grain shape, use straight test lines at various angles, or simply
horizontal and vertical with respect to the deformation axis
• Alternatively, you can use test circles, such as the ASTM three-
circle grid i.e. three concentric circles
• This test pattern averages the anisotropy

Intercept Method
• Example of three concentric test circles for point counting
• To illustrate intercept counting, note that there are 41, 25 and 20
grains intercepted (N) by the three concentric circles

Volume defects
– Volume defects are 3-dimensional defects such as pores,
voids, inclusion, crack etc.
– These defects are normally introduced during processing and
fabrication steps
– All these defects are capable of acting as stress raisers, and
thus deleterious the mechanical behavior of parent metal
– However, in some cases foreign particles are added
purposefully to strengthen the parent material

1. Pores: When air bubbles are trapped during solidification,

welding process etc.
Pores

2. Voids: Formed due to absence of a number of atoms in the

internal surfaces of crystal. Occurs due to the shrinkage of a
material as it solidifies

3. Foreign inclusion: When impurity atoms cluster together to form
small regions of a different phase called as precipitates or inclusions
Foreign inclusion
4. Cracks
Crack

Crack detection through NDT
Inspect or measure without doing harm to structure

 use of noninvasive techniques
 integrity of a material, component or structure is determined
 by quantitatively measure some characteristic of an object
Visual inspection Contact less

Radiography
NDT techniques
Visual

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Cooling curve and phase diagram
Date: 28/09/2020
Crystal defects
Issues to address
• What is a solid solution
• What is Phase
• What is the Solubility limit
• How do we arrive at the phase diagram
• Interpretation of phase diagram
• Cooling curve of a pure metal
• Cooling curve of an alloy
• Lever Rule
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Metals and Alloy
Alloy
– A mixture of a metallic with other metallic/non-metallic elements
– Alloying improves the properties of the base metal
– Alloy inherits the property from its constituents

Metals and Alloy
Alloy
– Example: Solder alloy is an alloy of Tin and Lead
– The melting point of Sn63-Pb37, solder is 183°C lying in between
that of pure Tin (232°C) and pure Lead (327°C)

Alloy Composition
How is concentration expressed in an alloy?

– There are two ways of expressing concentrations of the
alloy:
1. Weight%: Mass of one of the components expressed as a
percentage of the mass of the sample
2. Atomic%: Number of atoms of the components expressed as

a percentage of total number of atoms in the sample

Phase of a Material
What is a phase?
– A phase is a part of an alloy with uniform physical and
chemical properties and the same composition
– It is separated from other phases by a definite boundary on
the phase diagram
– Example: snow, water and steam are the same substance
existing in have different structure exists in different phases
– If they exist together, they have a definite boundary

Components and equilibrium
What is equilibrium?
– A system is at equilibrium if its characteristics/overall
phase do not change with time
What is phase equilibrium?

– When at a given temperature and
pressure, there is no further tendency
for change in the characteristics of the
phases with time

Liquid Solution
What is a solution?
– A substance is soluble in another if the solute atoms
dissolve in the solvent to form a solution. The solubility of
one material in another describes how much solute can be
added before another phase is produced
– Example: sugar (solute) dissolves in water (solvent)
meaning that it is soluble in water, but at a certain
concentration no further sugar will be dissolved

Solubility vs. Temperature
What is solubility?
– The amount of solute completely dissolved in a solvent can
be plotted on a graph against the temperature
– There will be a solubility limit, shown by the line on the graph
– At all temperatures and compositions to the left of this line,
there is one phase - a solution of sugar in water. To the right
of this line, there are two phases present, the solution and
solid sugar (that settles at the bottom of the cup)
– This could be considered to be a part of the sugar-water
phase diagram.

Types of Solubility
What is unlimited solubility?

– When the solute will always dissolve in the solvent to
form a solution, regardless of the concentration
– Example: If water and milk are mixed, only one phase
is produced, regardless of the ratio of water to milk

Types of Solubility
What is limited solubility?

– When there is a maximum
concentration of solute that
may dissolve in the solvent to
form a solution
– Example: When sugar is
added to water, a solubility
limit is reached where the
solution is saturated
– No more sugar will not
dissolve in water, extra
added solid sugar will settle
in the bottom of the cup

Solid Solution
What is a solid solution?

– A solid phase that contains two or more elements
– Elements combine to form a solution with uniform composition
– An isomorphism means a complete solubility of the two
components both in liquid and solid state
– Example: Cu-Ni binary system. The two elements dissolve
completely both in the solid and liquid phase
– Cu-Ni binary alloy system forms a substitutional solid solution
– Cu and Ni occupy the space vacated by each other

Solubility Limit
Solubility Limit:
Max concentration for which
only a solution occurs
• Ex: Phase Diagram for
Water-Sugar System
Que: What is the solubility

limit at 20oC?
Ans: 65wt% sugar

If Co < 65wt% sugar: sugar
If Co > 65wt% sugar: syrup + sugar
• Solubility limit increases with Temp

e.g., if T = 100C, solubility limit = 80wt% sugar
• Such solubility limit also exists for the metal-alloy phase diagram
Effect of Temp & Composition
• Changing T can change # of phases: path A to B

• Changing Co can change # of phases: path B to D

Components and Phases
• Components: The elements or compounds which are mixed initially
(e.g., Al and Cu)
• Phases: The physically and chemically distinct material regions that
result (e.g., a and b)
• Isomorphous system: Single homogenous phase will exist if the
solubility of Al and Cu is within the solubility limit
Aluminum-Copper Alloy
Solidification of molten metal
• Crystal structure is the periodic arrangement of different atoms,

ions or molecules in material into a regular repeatable lattice

Solidification of molten materials
Cooling curves
– It represent the relationship between temperature and
the composition of phases present at equilibrium
– Example: The phase diagram shown is the diagram for
Cu-Ni, which is an isomorphous alloy system
Cooling curve for a pure metal Cooling curve for an alloy 50-50
Antimony and Bismuth alloy
Cooling of Binary Alloy

Cooling of Binary Alloy
Phase diagrams
– It represent the relationship between temperature and the
composition of different phases present at equilibrium
– Indicates equilibrium solid solubility of one element in another
– Example: The phase diagram shown is the diagram for Cu-Ni

Phase Diagram of Binary Alloy: Cu-Ni
https://textbooks.elsevier.com/manualsprotectedtextbooks/9780750663809/Static/phase/phase3b.htm

Phase Diagram of Binary Alloy

Iron-Carbide equilibrium phase diagram
Al-Cu equilibrium phase diagram
Motivation
Sundar Pichai
CEO, Google
B-Tech, Metallurgy, 1993
IIT Kharagpur

Phase Diagram of Binary Alloy: Cu-Ni
• If we know T and Co, then we can find the type of

phase or phases present
6
Phase vs. Temperature
How to find % composition at a given temperature?

Lever Rule: The Lever rule gives the “WEIGHT %” of phases in any
two phase regions i.e. how much is the fraction of liquid and fraction
of solid which exists at a particular temp and composition
Opposite arm of lever

Phase %   100
Total lenght of tie line
LenghtOS
Liquid Phase %   100
Lenght LS
LenghtOL
Solid Phase %   100
Lenght LS
Determining phase composition in
2-phase region at a temperature
Procedure:
1. Draw the tie line at 1250oC parallel to composition axis
2. Note where the tie line intersects the liquidus and solidus lines
3. Apply lever rule
4. CL = 31.5%; Co = 35%; Cα = 42.5%
Lenght BC
Liquid Phase %   100
Lenght AC
(42.5  35)
  100 A c
(42.5  31.5)
1250
7.5
  100
11
Liquid Phase %  68.18
Solid Phase %  31.82

PHASE DIAGRAMS: composition of phases
• If we know T and Co, then we can find the type of

phase or phases present

PHASE DIAGRAMS: weight fractions of phases
• If we know T and Co, then we can find the type of phase

or phases present
S 43  35
WL     73wt %
R S 43  32
R
W   = 27wt%
R S
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Phase diagram of Eutectic solids
Date: 16/09/2020
Crystal defects
Issues to address
• Eutectic phase diagram
• Solubility Limit
• Eutectic Reactions
• Microstructural changes in the eutectic system
• Lever rule in a eutectic system
• Gibbs’s Phase rule

Cooling curves for
pure substances
• During solidification, heat is being lost to the surroundings yet the temperature
doesn't fall
• This is because the freezing process liberates heat at exactly the same rate
that it is being lost to the surroundings
• Energy is released when new bonds form i.e. the strong metallic bonds in solid
Phase diagram of a
Binary system: Cu-Ni system
Phase diagrams
– It represents the relationship between temperature and the
composition of different phases present at the equilibrium
– Indicates equilibrium solid solubility of one element in another
– Example: The phase diagram shown is the diagram for Cu-Ni,
which is an isomorphs alloy system
https://www.tec-science.com/material-science/alloys/complete-
solubility-of-components-in-solid-state-solid-solution/

Phase diagram of a

• Adding the tin to lead lowers its freezing
point
• Freezing starts for this mixture at about

250°C
• Some lead started getting solidified - but

no tin
Cooling curves for pure lead
• The rate of cooling slows down - the
curve gets less steep
• Energy is being given off as the lead

turns to a solid, there isn't anything
similar happening to the tin
• At 183°C both tin and lead start freezing
• Once everything has solidified, the

temperature continues to fall
Cooling curves for 67% Lead and 33% Tin
• With further increase in the proportion of
tin, the first signs of solid lead appear at
lower and lower temperatures, but the
final freezing of the whole mixture still
happens at 183°C
• The trend continues until the mixture

contains 62% tin and 38% lead when
Cooling curves for 67% Lead and 33% Tin the graph changes
• This particular mixture of lead and tin

has a cooling curve which looks exactly
like that of a pure substance rather than
a mixture
• This particular mixture is known as a

eutectic mixture. The word "eutectic"
comes from Greek and means "easily
melted”

What happens if there is more than 62%
of tin in the mixture?
• It is similar to starting with pure tin and

then adding lead to it
• If small amounts of lead is added to the

tin such that it becomes 80% tin and
20% lead, we get a curve

Cooling curves for pure lead Cooling curves for 67% Lead and 33% Tin
Cooling curves for 62% Lead and 38% Tin Cooling curves for 69% Lead and 31% Tin
Phase diagram of
a Eutectic system

α is a A-rich phase with a small amount of dissolved B
β is a B-rich phase with a small amount of dissolved A
Eutectic Phase Diagram
• The homogeneous mixture of substances that melts or solidifies at a
single temp lower than the melting point of any of the constituents
• The coordinates defining a Eutectic Point on a phase diagram are
the Eutectic Percentage Ratio and the Eutectic Temperature
• The melting point of Sn62%-Pb38%, solder is 183°C lying in
between that of pure Tin (232°C) and pure Lead (327°C)
 α is a Pb-rich phase with a small amount of solved Sn
 β is a Sn-rich phase with a small amount of solved Pb
Pb=100% Pb=0 %
Sn=0 % Sn=100%

Lever Rule to
Eutectic Phase Diagram
• For a 40wt%Sn-60wt%Pb alloy at 150oC
the phases present: a + b
α is a Pb rich phase
β is a Sn rich phase
• Compositions of the phases:

Ca = 11wt%Sn
Cb = 99wt%Sn
• Relative amounts of each phase

Hypoeutectic & Hypereutectic
• Hypoeutectic alloy is an alloy

with a composition between
that of the left-hand end of
the tie line
• Microstructure composed of a
primary lead-rich phase a
• Hypereutectic alloy is an with

a composition between that of
the right-hand end of the tie
line
• Microstructure is composed
of a primary Tin-rich phase b
20
Evolution of microstructure
in Eutectic System: Region-1
• Co < 2wt%Sn
• Result:
--polycrystal of a grains.
• Solidification and
microstructure of a
Pb-2% Sn alloy
• The alloy is a single-
phase solid solution
16
• 2wt%Sn < Co < 18.3wt%Sn
• Result:
--a polycrystal with fine
b crystals.
• Solidification, precipitation,
and microstructure of a Pb-
10% Sn alloy
• Some dispersion
strengthening occurs as
the β solid precipitates
16
• For 18.3wt%Sn < Co < 62wt%Sn
• Result: a crystals and a eutectic microstructure
100% Pb
100% Sn

• Co = CE = 62wt%Sn
• Result: Eutectic microstructure
--alternating layers of a and b crystals.
Hypo-eutectic Hyper-eutectic
100% Pb 100% Sn
18
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Iron-Iron Carbide (Fe - Fe3C) Diagram
Date: 21/10/2022
Importance of Ferrous Family
Issues to address
• Gibbs’s Phase rule
• Polymorphism and Allotropy
• The Iron-Iron Carbide (Fe - Fe3C) diagram
Why?
• 80% of the materials used in industry are ferrous
• > 1,808 million tons of crude steel was produced worldwide in the year 2018
• 50% of its production is utilized in the construction industry

• There are as many as 3,500 different grades of steel offering its unique
environmental, chemical and physical properties

Cooling curves of
Pure metals
• During solidification, heat is being lost to the surroundings yet the temperature
doesn't fall
• This is because the freezing process liberates heat at exactly the same rate
that it is being lost to the surroundings
• Energy is released when new bonds form i.e. the strong metallic bonds in solid
Phase diagram of a

Phase diagram of a
Eutectic system: Pb-Sn system

What is Allotropy?
• Several metals may exist in more than one type of crystal structure
depending on the temperature
• Iron, Tin, Manganese and Cobalt are examples of metals which exhibit
this property, known as Allotropy

Temperature-dependent
allotropic Transformation
• On a phase diagram, these allotropes changes from one crystal
structure to another based on the variation in temperature
• Ex: The gamma solid of the solution field is ‘looped’
Fe-Cr Phase Diagram

Allotropic Transformations
of pure Iron
• Iron is also an allotropic metal, which exists in more than one type
of lattice structure depending upon temperature

Effect of Temperature
on Pure Iron: Summary
• Pure iron when heated experiences a change in
crystal structure before it melts
Liquid
• At room temperature, the stable form, ferrite (α iron)
has a BCC crystal structure
• Ferrite experiences a polymorphic transformation to
FCC austenite (γ iron) at 912˚C
• At 1394˚C austenite reverts back to BCC phase δ
ferrite and melts at 1538˚C
• Iron carbide (Fe3C) an intermediate compound is
formed at 6.67 weight% Carbon
• Typically, all steels and cast irons have carbon
contents less than 6.67 weight% Carbon Solid
• Carbon is an interstitial impurity in iron and forms a
solid solution with the α, γ, δ phases

Iron-Iron Carbide (Fe - Fe3C)
Phase Diagram: Micro-structures

Iron-Iron Carbide
(Fe - Fe3C) Phase Diagram
• Compositions up to 2% of Carbon are called Steels and beyond that
Cast Irons
• A portion of the Fe-C diagram – up to 6.67 wt.% carbon i.e. till

cementite, Fe3C is technologically very relevant
• Cementite is an unstable phase and should not be included in an

equilibrium phase diagram. But the decomposition rate of cementite is
small and hence can be thought of as ‘stable enough to be included in
a phase diagram
• Cementite, Fe3C, tends to decompose into Fe and graphite

Iron-Iron Carbide

Possible Binary Phase Diagram

Invariant Reactions

Iron-Iron Carbide

Iron-Iron Carbide

Iron-Iron Carbide (Fe - Fe3C) Phase
Diagram: Eutectic Reaction
• A eutectic reaction in general can

be represented by an equation
L 
 S1  S 2
• Where, L represents liquid of eutectic
composition and, S1 and S2 are two
different solids of fixed composition
• In a Fe-Fe3C diagram, the eutectic reaction
happens in the Cast Iron region given by
 Austenite ( )  Cementite
L 
1147oC
4.3 % C
Eutectic Mixture - Ledeburite
Diagram: Eutectoid Reaction
• A eutectoid reaction in general can

S1 
 S 2  S3
• Where S1, S2 and S3 are three
different solids of fixed composition
• In a Fe-Fe3C diagram, the eutectoid
reaction happens in the Steel region
given by
Austenite ( ) 
 Ferrite ( )  Cementite
727oC
0.77 % C
Eutectoid Mixture - Pearlite

Diagram: Peritectic Reaction
• A perictic reaction in general can

L  S1 
 S2
• Where, L represents liquid, S1 and
S2 are two different solids of fixed
composition
• In a Fe-Fe3C diagram, the peritetic
reaction happens in the Steel region
given by
L  Ferrite ( ) 
 Austenite ( )
1495oC
0.17 % C

What is Ferrite?
Ferrite (α)
• Ferrite is an interstitial solid solution of carbon in low temp
BCC α-iron phase with very limited solubility for carbon
• 0%C corresponds to pure iron
• The maximum solubility of carbon in iron is 0.025% at
727oC & at 0oC temp the solubility falls to 0.008%
• Ferrite is the softest structure that appears on the Fe-C
equilibrium diagram
• It can be extensively cold worked without cracking
• The carbon atoms are located in the crystal interstices
Ferrite has
• Tensile strength 2800kg/cm2 (approx.)
• Elongation 40% in 50mm
• Hardness less than Rockwell C 0 or Rockwell B 90

What is Austenite?
Austenite (γ)
• Austenite is the interstitial solid solution of carbon and
FCC γ-iron
• It has a FCC crystal structure with a high solubility for
carbon compared with α ferrite
• The solubility reaches a maximum of 2.14% at 1147oC
• The solubility decreases to 0.8% at 727oC
• The difference in solubility between the austenite and
α Ferrite is the basis for the hardening of steels
• Austenite is normally not stable at room temperature
Austenite has:
• Tensile strength 10500 kg/cm2
• Elongation 10% in 50 mm
• Hardness Rockwell C 40 (Approx.)

What is Cementite?
Cementite (Fe3C)
• Cementite or iron carbide, chemical formula Fe3C
• This is an intermetallic compound of iron and carbon, which contains
6.67%C and 93.3%Fe
• Cementite is a hard and brittle interstitial compound of low tensile
strength
• Its crystal structure is orthorhombic crystal structure with each unit cell
has 12 Fe atoms and 4 C atom
• It is ferromagnetic upto 2100C and becomes paramagnetic
Cementite has:
• Tensile strength 350 kg/cm2 (Approx.)
• High compressive strength

What is δ Ferrite?
δ Ferrite
• This is a interstitial solid solution of carbon in iron and has a BCC crystal
structure
• The maximum solubility or C in Fe is 0.1% at 1492oC
• This has no real practical significance in engineering
Ledeburite
• Ledeburite is the eutectic mixture of austenite & cementite
• It contains 4.3% carbon, it is formed at about 11470C
Pearlite Pearlite
• The Pearlite micro-structure consists of alternate lamellae of ferrite and
cementite
• Pearlite is the product of austenite decomposition by an eutectoid
reaction
• Pearlite is an eutectoid mixture containing about 0.8%C, is formed 7270C

General classification of steels
1. Low carbon (Mild Steels)

• Percentage of Carbon: 0.04% to 0.30%
• High ductility and Low strength
• Usage: General use such as sheets, plate
2. Medium carbon steel
• Percentage of Carbon: 0.31% to 0.60%
• Higher strength and hardness, less ductility
• Usage: Gears, axles, railroad, etc.
3. High carbon steels (carbon tool steel)
• Percentage of Carbon: 0.6 % to 1.5%
• Hard, strong, brittle
• Usage: Tool-steel, springs, cutting tools

Cast Iron Region

What is Cast Iron?
• If carbon content more than ~2.14 wt% referred as cast iron region
• Cast iron products are cheaper than steel
• If carbon % is more, the refining process will be cheaper
• In cast irons, carbon exists as graphite
• Graphite formation graphitization of carbon is promoted
• by the presence of silicon in concentrations greater than about 1 wt%
• slower cooling rates during solidification
• Cementite (Fe3C) is a metastable compound, and under some circumstances it can
be made to decompose to form:- ferrite and graphite; Fe3C – Fe + C
• Microstructure and mechanical behavior depend on composition and heat treatment
• Most common cast iron types are gray, ductile, nodular, white, malleable, and
compacted graphite

Types of Cast Iron
and its Application
Gray Cast Iron
• Graphite flakes normally surrounded by an α-ferrite or pearlite matrix
 + Fe3C
Ferrite IM
BCC Compound
Pearlite
• Weak & brittle under tension
• Stronger under compression
• Excellent vibrational dampening
• Wear resistant
• The tips of the graphite flakes are sharp
and pointed and may serve as points of
stress concentration

Nodular/Ductile/
Spheroidizing Cast Iron
Nodular/Ductile/Spheroidizing Cast Iron
• Graphite in nodules not flakes
• Silicon spilt the iron carbide into Fe and C
Fe3C – Fe + C
• Adding a small amount of magnesium and/or
cerium to the gray cast iron before casting
• Spheroidizing agent increases the surface
tension of free carbon to get Spheroidized
• Matrix often pearlite - better ductility
• Applications
• Valves
• pump bodies
• Crankshafts and gears
White Cast Iron
White Cast Iron

• It is a low-silicon cast irons, >1.0 wt% Si and
rapid cooling rates
• Carbon exists as cementite instead of graphite
• Its fracture surface has a white appearance, and
thus it is termed white cast iron
• Extremely hard but also very brittle, to almost
un-machinable
• Applications: very hard and wear-resistant
surface without a high degree of ductility
• Rollers in rolling mills
10/25/2022
Malleable Cast Iron
Malleable Cast Iron

• Formed by heating white cast iron at temp
between 800 to 900oC for a long period in a
neutral atmosphere
• Cementite decomposes forming graphite,
which exists in the form of clusters surrounded
by a ferrite or pearlite matrix, depending on
cooling rate
• Its microstructure is similar to that of nodular
iron, which accounts for relatively high strength
and appreciable ductility or malleability
• Application: Connecting rods, transmission
gears, flanges, pipe fittings, and valve parts for
railroad, marine, and other heavy-duty services

Production of Cast Iron
 + Fe3C
Ferrite IM
BCC Compound
Pearlite
Fe3C: Iron Carbide/Cementite
Si Mg/Ce

Influence of Carbon on the
Mechanical Properties of Iron
1. Ductility
• Ductility of the material decreases with addition of carbon.
• Thus, the pure iron has highest ductility.
2. Strength
• Strength of material is increased initially with addition of carbon, it
reached to pick level at eutectoid point, i.e., 0.76 wt% carbon
composition, then continuously going down
3. Hardness
• The hardness of the material is going up with carbon percentage
continuously

Effect of alloying steel
with other Elements
Eutectoid Eutectoid
Temperature Composition
C eutectoid (wt%C)
Ti
T Eutectoid (°C)
Si
Mo W Ni
Cr
Cr Si
Mn
Mn W
Ti Mo
Ni
wt. % of alloying elements wt. % of alloying elements
BCC Materials increases eutectoid temp

FCC Materials decreases eutectoid Temp
Effect of carbon content
on the properties of Steel
Maximum load
before failure
Ability to get
Scratch mark
Ability to deform
before failure

Materials Science
and Engineering
Pilani Campus
BITS Pilani
Pilani Campus

Stress Strain Diagram, Impact Testing and DBTT
Date: 11/11/2022
Crystal defects
Issues to address
• Engineering Stress and Engineering Strain
• True Stress and True strain
• Elastic and plastic deformation
• Ductility: Toughness and Resilience
• Ductile vs Brittle Failure
• Ductile to Brittle Transition

Concept of Stresses
• A measure of internal resistance of a material against externally

applied load
• It allows engineers to establish safety factors for structures by

comparing working and failure stress levels

Concept of Strains
• The quantity that defines the deformation of the structures
• A detailed study on the deformation assumes significance

• To ensure that the deformation is within the permissible limits
• Do not affect the performance of the members

Tensile Test
Instron 5585 H

Constitutive Relations
Stress-strain relation
– Elastic or Linear region: O-A

– Luder’s band: A-B
https://www.mtu.edu/material
– Plastic region with strain hardening: B-C s/k12/experiments/tensile/
– Plastic region with strain softening: C-D
Material Constants for: Isotropic Material
P
  E   G K
V / V
E = Young’s modulus E  2G (1  )
Isotropic materials
G = Shear modulus or E  3K (1  2 )
have 2-material
modulus of rigidity 9 KG
E constants E and v
K = Bulk modulus 3K  G
Tensile Test
Typical tensile test machine Typical tensile specimen
extensometer specimen
Specimen design and tests are conducted based on ASTM/ASME codes

True Stress True Strain
Elastic Region
Linera Region Plastic Region Plastic Region Fracture
Strain hardening Necking
F F
Engineering Stress;  engg  True Stress;  true 
A0 Ai
L L
Engineering Strain;  engg  True Strain;  true 
L0 Li
 true   engg (1   engg )

 true  ln(1   engg )
Elastic Deformation
1. Initial 2. Small load 3. Unload
bonds
stretch
return to
initial
d
F F Linear-
Elastic means reversible elastic
Application: Spring for energy storage Non-Linear-
elastic
d
Slip system
• The atomic planes at which the atomic blocks shear during the
plastic deformation are also called slip planes
• After the atomic blocks have emerged from the material by one or
more atomic distances, they are visible under a microscope as slip
steps
• A slip system is a combination of a slip plane and a slip direction
• The more slip systems a lattice structure has, the more deformable
is the respective metal

Linear Elastic Properties
• Modulus of Elasticity, E also known as Young's modulus

• Determines the force required for deformation in the elastic region

E

Linear-
elastic
Hooke's Law
  E
Young’s Moduli: Comparison
Graphite
Metals Composites
Ceramics Polymers
Alloys /fibers
Semicond
1200
1000 Diamond
800
600
Si carbide
400 Tungsten Al oxide Carbon fibers only
Molybdenum Si nitride
Steel, Ni CFRE(|| fibers)*
200 Tantalum <111>
Platinum Si crystal
Cu alloys <100> Aramid fibers only
100 Zinc, Ti
80 Silver, Gold Glass -soda AFRE(|| fibers)*
Aluminum
E (GPa)
60 Glass fibers only

Magnesium, GFRE(|| fibers)*
40 Tin
Concrete
20 GFRE*
CFRE*
Graphite GFRE( fibers)*
10
8 CFRE( fibers) *
6 AFRE( fibers) *
Polyester
4 PET
PS
PC Epoxy only
2
PP
1 HDPE
0.8
0.6 Wood( grain)
PTFE
0.4
0.2 LDPE

Yield Strength, y
• Stress at which noticeable • Yield strength is very important to
plastic deformation starts decide the working/design stress
y
 w/ d 
FOS
Steel
Aluminum
p = 0.002
Tensile Strength, uts
Strain Hardening
Exponenent , n
n fine grain  ncoarse grain
O Y :   E ; Hooke ' s Law

Y S:   K n ; Osgood  Ramberg Law
S  B: complex relation of  and 
Plastic Deformation (Metals)
1. Initial 2. Small load 3. Unload
bonds
p lanes
stretch
still
& planes
sheared
shear
d
d elastic + plastic plastic
F
F
linear linear
Plastic means permanent
d
elastic elastic
Application: Metal forming
dplastic
Plastic or Permanent Deformation
y
Stress, 
p e Strain, 
Plastic Elastic
strain strain

Ductility and its measure
• The ability of a material to undergo plastic deformations before failure
• It is expressed as per cent elongation or percent area reduction
Ao
Lo Af Lf

Resilience
• Ability of a material to store energy when it is deformed elastically
• Energy stored in elastic region where stress-strain curve is linear
• Area under - curve taken to yielding (the shaded area)
• It is used in designing of spring
1
U r   y y
2

Toughness
• It is the energy to break a unit volume of material
• Measure of the ability of a material to absorb energy up to fracture
• Approximate by the area under the stress-strain curve
Small toughness
(ceramics)
Large toughness
(metals)
Engg Stress, 
Very small
Toughness
(polymers)
Engg Strain, 

Problem
A hypothetical engineering stress-strain curve is shown in Figure 1. Points Q, R
and S represent the yield, ultimate and fracture stress in MPa. Find the
toughness of the material in MJ/m3.

Imperfection a need
Mechanical properties are controlled by imperfections

o Ideally, theoretical strength of solids should lie in the
range of 3-30 GPa
E
 cohesive 
Applied Force (F) →

 Cohesive strenght
o However, real values observed strength is

~ (E / 100 to E /1000) i.e. in MPa a0 r →
Reason
o The assumption of perfectly solid is not valid
o Impurities induces weaker zone in metals

Ductile Failure Mechanism
Evolution to failure
void void growth shearing

necking and linkage at surface fracture
nucleation
Particles serve as
void nucleation sites
50 mm 100 mm

Ductile vs Brittle Failure
Very Moderately
Brittle
Ductile Ductile
Gold Mild Steel Ceramic
Ductile  y < f  yields before fracture

Brittle  y > f  fractures before yielding
Ductile-to-brittle transition (DBT)
• As temperature decreases a ductile material can become brittle – DBT
• Alloying usually increases the ductile-to-brittle transition temperature
• FCC metals remain ductile down to very low temperatures
• For ceramics, DBT occurs at much higher temp than for metals

• The ductile-to-brittle transition can be measured by impact testing
• The impact energy needed for fracture drops suddenly over a

relatively narrow temperature range
mgH -mgh
mgH
mgh

Impact Testing: Procedure – ASTM E23
• Objective- Determine if the materials are “Tough” or “Brittle”?
• Measures Energy absorbed upon Impact & lateral contraction
• Energy absorbed-temperature plot to find DBT temperature
• Observation if,
– Dull fracture - “shear” or “ductile”
– Shiny fracture - “cleavage” or “brittle”
Izod Charpy

• The ductile-to-brittle transition can be measured by impact testing
• The impact energy needed for fracture drops suddenly over a

relatively narrow temperature range
50% Ductile - 50% Brittle

Ductile-to-brittle transition Temp (DBTT)

Effect of Carbon Content on DBTT

Charpy Impact Data: Energy vs Temp
• Temperature effect clear from materials test
• A238 Steel has more dramatic dependence around ocean Temp

• At high temp atomic mobility of thermally activated atoms
increases causing increase in slip dislocation. Materials fails by
atomic slip
• At low temp no of thermally activated atoms are less, requiring
large force for dislocation. Materials fails by atomic separation

Materials Science
and Engineering
Pilani Campus
BITS Pilani
Pilani Campus
ENGG ZC232, Materials Science and Engineering

Mechanical Behavior of Materials
Date: 15/11/2022
Crystal defects
Issues to address
• Fatigue
• Fatigue testing
• S-N Curve
• Typical fatigue failure

Introduction to fatigue
Tensile test
Fatigue test

• The failure of metal under alternating stresses is known as Fatigue
• Under fluctuating/cyclic stresses, failure can occur at lower loads than
under a static load
• 90% of all failures of metallic structures (bridges, aircraft, machine etc)
• Fatigue failure is brittle-like – even in normally ductile materials. Thus
sudden and catastrophic!

Stress cycles
• Fatigue failure is characterized by
 r   max   min
r  max   min
a   max
m= 0
2 2
Stress
r
 max   min
m 
Cycles
min
2
 min
Stress ratio  R 
 max
 a 1 R
Amplitude ratio  A  
 m 1 R
Fatigue testing: S-N curve
Typical Fatigue testing machine

Ferrous Material
S = stress amplitude
specimen compression on top unsafe
zone
Fatigue Limit
motor counter
bearing bearing
safe
zone
flex coupling
tension on bottom
10 3 10 5 10 7 10 9
N = Cycles to failure
Fatigue strength: Stress at which fracture occurs Non-Ferrous Material
S = stress amplitude
after specified number of cycles (e.g. 107) unsafe
zone
Fatigue strength
Fatigue life: No of cycles to fail at specified at Ni cycle
stress level safe

zone
10 3 10 5 Ni 10 7 10 9
N = Cycles to failure

Fatigue strength and fatigue life
Fatigue limit = Endurance limit
No fatigue limit  fatigue strength

is specified for an arbitrary number
of cycles (~ 108 cycles)
 Ferrous Materials: Steel, Ti show fatigue limit

 Non-Ferrous Materials: Al, Mg, Cu show no fatigue limit

LCF and HCF
Low cycle fatigue (LCF) High cycle fatigue (HCF)

No of cycle to fail: N < 105 No of cycle to fail: N > 105
High load Low load
Plastic strain Elastic strain
Fatigue mechanism
• Microscopically, no material surface is perfectly crack origin
smooth and flat but has roughness and the finest
cracks or other inclusions
• Such irregularity like small notches increases the
stresses locally
• These stresses can then be far higher than the
uniaxial nominal stresses
• Material yields locally at these flaws caused by
shift of slip planes
• Such shifts leave either extrusions or intrusions
on the surface which further turn into notches
intensifying the formation of cracks (stage I)
• Material fails locally and crack progresses deeper
into the interior leading to crack propagation
(stage II)

Fatigue life
• The Fatigue Life, Nf, of a component is defined by the total number
of stress cycles required to cause failure
N f = N i + N p+ N r
• Fatigue Life is divided into three stages namely
1. Crack Initiation (Ni) - Cycles required to initiate a crack due to

dislocation pile-ups or imperfections such as scratches, voids, etc
2. Crack Growth (Np) - Cycles required to grow the crack in a stable

manner to a critical size. Generally controlled by stress level
3. Rapid Fracture (Nr) - Very rapid critical crack growth occurs when the
crack length reaches a critical value. Since Rapid Fracture occurs
quickly, there is no Rapid Fracture term in the Fatigue Life expression

Fatigue mechanism ….. continued
Stage 1: Crack Initiation
• Fatigue always begins at a crack
• Crack may start at a microscopic inclusion

• Crack may start at a "notch", or other stress
concentration
Stage 2: Crack Propagation

• Each tensile stress cycle causes the crack to
grow (~10-8 to 10-4 in/cycle)
Stage 3: Fracture
• Sudden, catastrophic failure with no warning

Paris' law
Region-A → slow or negligible crack growth

→ the rate of crack growth: nm per cycle
Region-B → stable crack growth defined by Paris’ law

→ the rate of crack growth: μm per cycle
da
 C (K ) p
increase in crack length dN
~   a
per loading cycle
• K = Range of stress intensity factors

• There exists a threshold value of K below
which fatigue cracks will not propagate
• C and P = Material constants
Region-C → unstable crack growth leading to failure
Kmax ≥ KC: fracture toughness, material will fail
→ the rate of crack growth: mm per cycle
Problem
A fatigue specimen has an inherent crack of length, ao, is acted by cycling loading.
Using Paris law, find the number of cycles needed to be completed for the crack
length to increase to af. C and P are the material constants for the specimen
material. Use the following information
C=2 and P=1 and ∆K= ∆σa

da
 C (K ) p
dN
Solution
da ln(a ) a f  2    N
a
 C  K 
P
dN o
K    a  af

da
ln    2    N
 2   a 
1
 ao

dN
1  af 
a f da
N ln  
ao  a    0 dN
N
 2   2     ao 

Cumulative damage rule:
Miner’s Rule
• The percentage of fatigue life consumed by operation at one operating
• stress level depends on the magnitude of subsequent stress levels the
cumulative rule called Miner’s rule
• The summation of life consumed at each stress range must be less
than 1 to avoid failure

Problem
A fatigue specimen is subjected to 1x107 cycles, at an applied stress range of
200MPa. Using Miner’s cumulative damage rule, estimate how many further cycles
can be applied at a stress range of 500 MPa before failure is predicted to occur.
Use the relevant/required information from the Table
Solution
Applied stress Number of
range (MPa) cycles to failure n1 n2
 1
200 8x107 N1 N 2
250 3x106 1107 n2
 1
300 3x105 8 10 7
2 10 7
400 5x104 n2 1
 1 
500 2x104 2 107 8
600 1x104 7
n2   2  107
8
n2  1.75 107

Problem
A fatigue specimen is subjected to the following stress cycles as shown in
the table. Find the remaining life
Stress Range, σ No. Applied Cycles, Ni No. Cycles to Failure, Nfi

3 900 10,000
5 50 500
Solution
σ
Ni/Nfi = 900/10,000 + 50/500
= 0.09 + 0.10 5
= 0.19
= 0.19 < 1.0 3
 Structure is safe
Used 19% of fatigue life, 81% remains 500 10,000 Log(N)
Prevention of Fatigue Failure
1. Surface Treatments
- Polishing – (reducing surface scratches)

- Shot peening- (putting surface into
compression)
- Carburizing - (surface treatment)
2. Remove Stress Concentrators

-Design- (removing of sharp edges)
C-rich gas
Carburizing

Shot Peeing

Materials Science
and Engineering
Pilani Campus
BITS Pilani
Pilani Campus
ENGG ZC232, Materials Science and Engineering

Creep
Date: 25/11/2022
Crystal defects
Issues to address
• Creep and high temperature response of materials
• Typical creep curve
• Effect of temperature and stress on creep life
• Larson-Miller Parameter (LMP) and creep life prediction
• Creep resistant materials

Introduction to Creep
• Creep is time-dependent, permanent deformation of the material

when subjected to a constant load or stress
• Creep always increases with the temperature
• Examples: turbine blades, steam generators
• The critical temperature for Creep is 40% of the Melting Temp
• If T > 0.40 TM Creep is likely to start (TM = Melting temperature)

Creep test

Creep test
Instantaneous deformation: Mainly elastic

Primary Creep: creep rate decreases with time: resistance offered to the dislocation
motion by grain boundary
Secondary Creep: steady-state creep rate i.e., constant slope: recovery and work
hardening operates simultaneously
Tertiary Creep: creep rate increases with time: work hardening alone dominates
Creep: stress and temperature effects
With increasing stress or temperature

• The instantaneous strain increases
• The steady-state creep rate increases
• The time to rupture decreases
Stress versus rupture lifetime for a

low carbon-nickel alloy at three temp

Secondary Creep
• Strain rate is constant

• Strain hardening is balanced by recovery
Stress Exponent (material parameter)
Steady state
strain Rate
 Qc 
 s  K exp   
n
Activation Energy for
 RT  Creep(Material Parameter)
Material Constant Applied Stress

Low Temp High Temp
Grain Weak Strong
Grain boundary Strong Weak
Poly Single
crystalline crystalline
Grain Boundary Cavitation
Creep failure occurs along grain boundaries
G.B. or Creep cavities

Creep failure: LM Parameter
• Larson-Miller parameters is used representing creep-rupture

• For a material, it is derived from the stress and temp dependence of
the creep rate and time to rupture
• The rate equation is expressed as
PLM= T [C + log (tr)]
where,
C is a constant (usually on the order of 20)
T is the temp in Kelvin
tr is rupture lifetime in hours,
PLM is the Larson-Miller parameter

Creep failure: LM Parameter
Using the Larson–Miller data for S-590 iron as shown, predict the time
to rupture for a component subjected to a stress of 140 MPa at 800 C
Solution
From Figure, at 140 MPa the value
of the LM parameter is 24x103
Thus,
PLM= T [C + log (tr)]
24x103 = T [C + log (tr)]
24x103 = ( 800+273) [ 20+ log (tr)]
20+ log (tr) = 22.37 Logarithm stress versus the LM
parameter for an S-590 iron
tr = 233 hour (9.7 days)

To avoid creep failure
Creep is generally minimized in materials with:

• High melting temperature
• High elastic modulus
• Large grain sizes
Materials which especially resilient to creep:

• Stainless steels
• Refractory metals (containing elements like Nb, Mo, W, and Ta)
• Use “Superalloys” such as Nickel and Cobalt based

ME/MF F216, Materials
Science and Engineering
Pilani Campus
BITS Pilani
Pilani Campus

Ceramic
Date: 29/11/2022
Ceramics
Issues to address
• What are Ceramics
• Types of Bonding in Ceramics
• Coordination no
• Characterization of Ceramics
• Crystallography
• Application

Engineering Materials
• Metals
– Strong and Ductile
– High thermal and electrical conductivity
– Opaque and reflective
• Polymers/plastic
– Soft, ductile, low strength, low density
– Thermal and electrical insulator
– Optically translucent or transparent
• Ceramics
– Compound of metallic and non-metallic
– Brittle, glassy and elastic
– Non-conducting

Properties of Chemical Bonding
Ceramic Materials
• Very brittle
• High temperature resistance against deformation

Atomic Bonding in Ceramics
Bonding
• Can be ionic or covalent in character
• Degree of ionic character may be large or small
CaF2
SiC

Factors that Determine Crystal Structure
Relative sizes of ions

• Formation of stable structures: Proper contact / closed packing
between the oppositely charged ion neighbors
- - - - - -
GAP
+ + +
- - - - - -
unstable stable stable
Maintenance of charge neutrality

• Net charge in ceramic should be zero -
F-
Ca 2+
A m Xp CaF 2 : cation
+ anions
F
m, p values to achieve charge neutrality

General Properties of Materials

Coordination no and Ionic Radii
To form a stable structure, how many anions can surround around a cation?
Coordination no
• It is the no of nearest cations for a anion
• It decides the stability of the bond
rcation
• It depends on the ratios of cation and anion radii as:
ranion
rcation/ranion Coord No Bonding type Example
< 0.155 2 Linear
0.155 - 0.225 3 Triangular
0.225 - 0.414 4 Tetrahedral
0.414 - 0.732 6 Octahedral
0.732 - 1.0 8 Cubic C.N.= 6

Predicting Structure of FeO
On the basis of ionic radii, what crystal structure FeO will

have?
Cation Ionic radius (nm)
rcation 0.077 Al3+ 0.053
 Fe2+ 0.077
ranion 0.140
Fe3+ 0.069
 0.550 Ca2+ 0.100
Anion Ionic radius (nm)
0.414 < 0.550 < 0.732
O2- 0.140
Thus, based on this ratio Cl- 0.181
CN= 6 F- 0.133

Computation of Cation-Anion Radius Ratio
Determine rcation/ranion for an octahedral site (C.N.= 6)
2ranion  2rcation  2a
 a  2ranion
2ranion  2rcation  2 2ranion

ranion  rcation  2ranion
rcation  ( 2 1)ranion
 rcation
 2  1  0.414
 ranion
 BITS Pilani, Pilani Campus

Rock Salt Structure: Nacl
Same procedure is same applied here as well
rNa = 0.102 nm
rCl = 0.181 nm
rNa/rCl = 0.564
 cations prefer an
octahedral sites

Types of Crystal Structures
AX – Type Crystal includes NaCl, CsCl, ZnS
AX2 – Type Crystal includes UO2, ThO2, ZrO2, CeO2
ABX3 – Complex oxide BaTiO3

AX Crystal Structures
AX – Type Crystal includes NaCl, CsCl, and Zinc blende ZnS
Cesium Chloride
rCs  0.170
  0.939
rCl  0.181
 cubic sites preferred

Thus, each Cs+ has 8 neighboring Cl-

AX2 Crystal Structures
AX2 – Type Crystal includes UO2, ThO2, ZrO2, CeO2
Fluorite structure
• Calcium Fluorite (CaF2)

• cations in cubic sites

ABX3 Crystal Structures
ABX3 – complex oxide BaTiO3

Types of Ceramics
Glasses Clay Refractories Abrasives Cements Advanced

products ceramics
-optical -whiteware -bricks for -sandpaper -composites engine
-composite -bricks high T -cutting -structural -rotors
reinforce (furnaces) -polishing -valves
-containers/ -bearings
household -sensors
• Properties:
-Tm for glass is moderate, but large for other ceramics
- Small toughness, ductility; large moduli & creep resist
• Applications:
- High T, wear resistant, novel uses from charge neutrality
• Fabrication
- some glasses can be easily formed
- other ceramics can not be formed or cast
Application: Die Blanks
• Die blanks: die Ad
- Need wear resistant properties! Ao tensile
die force
• Die surface:
- 4 mm polycrystalline diamond particles that are
sintered onto a cemented tungsten carbide substrate
- polycrystalline diamond helps control fracture and
gives uniform hardness in all directions
18
Application: Cutting Tools
• Tools:
-- for grinding glass, tungsten,
carbide, ceramics
-- for cutting Si wafers
-- for oil drilling
• Manufacturing:
oil drill bits blades
-- manufactured single crystal
or polycrystalline diamonds
in a metal or resin matrix. coated single
-- optional coatings (e.g., Ti to help crystal diamonds
diamonds bond to a Co matrix
via alloying)
-- polycrystalline diamonds Polycrystalline diamonds
resharpen by microfracturing in a resin matrix
along crystalline planes.
Applications: Advanced Ceramics
Heat Engines
• Possible parts – engine block, piston coatings, jet engines
• Ex: Si3N4, SiC, & ZrO2
Advantages: Disadvantages:
– Run at higher temperature – Brittle
– Excellent wear & corrosion – Too easy to have
resistance voids- weaken the
– Low frictional losses engine
– Ability to operate without a – Difficult to machine
cooling system
– Low density

Mechanical Properties
of Ceramics

Measuring Elastic Modulus
• Room T behavior is usually elastic, with brittle failure
• 3-Point Bend Testing often used
• tensile tests are difficult for brittle materials
• Determine elastic modulus according to

F L3 F L3
E 
3
 4bd  12R4
rect. circ.
cross cross
section section

Measuring Fracture Strenght
• 3-point bend test to measure strength at room temperature
fail 1.5FmaxL FmaxL

 fs   m  
bd2 R3
rect.
Material σfs (GPa) E (GPa)

Si nitride 700-1000 300
Si carbide 550-860 430
Al oxide 275-550 390
Glass 69 69

Defects in Ceramic Structures
• Frenkel Defect
- a cation is out of place
• Shottky Defect
- a paired set of cation and anion vacancies

Summary
• Ceramic materials have mostly covalent & some ionic bonding
• Structures are based on
– charge neutrality
– maximizing no of nearest oppositely charged neighbors
• Structures may be predicted based on

– ratio of the cation and anion radii
• Defects
– must preserve charge neutrality
– have a concentration that varies exponentially w/T
• Room Temp: mechanical response is elastic, but fracture brittle,
with negligible ductility
• Elevated Temp creep properties are generally superior to those of
metals (and polymers)

12/9/2022
Smart Materials
Radha Raman Mishra, Ph. D.

Assistant Professor
Department of Mechanical Engineering
1 1
1
12/9/2022
Content
• What is mean by smart Material?
• Shape-memory alloys
• Piezoelectric ceramics
• Magneto-strictive materials
• Electrorheological/ magnetorheological fluids
• Carbon and Nano-carbons(Fullerenes)
Smart Materials
• Technology paradigm
 a smart material is a structure that involves the integration of actuators,
sensors, and controls with a material or structural component.
 describes the components but it does not state any system goals or objectives.
• Science paradigm
 a smart structure is a structural system with intelligence and life features
integrated in the macrostructure and quite possibly the microstructure of the
system to meet stated objectives and to provide adaptive functionality.
 does not define the type of materials or state that actuators, sensors, or
controls are used.
2
12/9/2022
Smart Materials
Why do use?
These materials have the following qualities –
• No moving parts, High reliability
• Low power requirements
• Materials provide new, synergistic capabilities that are presently not

possible
3
12/9/2022
Applications
• Smart Structures
• Intelligent Structures
• Metamorphic Structures
• Adaptive Structures
• Sensory Structures
• Sensory Materials
• Sensory Systems
• Energy Transfer Materials
7
Types of Smart Materials
4
12/9/2022
Type of Smart Materials
Shape Memory Alloys
• Alloys that have a “memory.”
• These materials can

remember and recover their
original shapes with load or
temperature.
• SMAs exhibit a solid-to-solid,

reversible phase
transformation
Variant selection (Change in crystal structures)
10
10
5
12/9/2022
Shape Memory Alloys

Conventional Metals
1. Elastic Deformation
(REVERSIBLE)
2. Plastic Deformation
(PERMANENT)
11
11
Shape Memory Alloys
Inelastic Deformation
(REVERSIBLE)
How?
• Twinning
• Bain strain → (la ce deforma on)
• La ce invariant shear → (accommoda on)
12
12
6
12/9/2022
Shape Memory Alloys

Cold state:
Phase Transformation: Also referred to
• Solid to solid martensitic phase as “Martensite”
transformation between a high
temperature, high symmetry
austenite phase (generally cubic)
• a lower temperature, low symmetry

martensite phase (e.g., monoclinic,
tetragonal, ororthorhombic).
Hot state:
Also referred to as
“Austenite”
13
13
Shape Memory Alloys

Shape Memory Effect
(Temperature-induced transformation)
• (0→1): Austenite phase transforms to martensite

variants when cooled
• (1→2): Twinned martensite deforms (elastic +

reorientation + detwinning (some plasticity may
occur)) o
• w Does It W
• (2→3): Unloading (elastic spring back)
• (3→0): Unloading (elastic spring back)
14
14
7
12/9/2022
Shape Memory Alloys

• Constant-force thermal cycling (actuator
response)
• Determine actuation specific properties

(transformation strain, work output, residual,
strain, transformation temperatures, and
hysteresis)
15
15
Shape Memory Alloys

Superelasticity/Pseudoelasticity
(Stress/load-induced transformation)
• Strains are generated and recovered

mechanically through a reversible
stress-induced transformation
• Occurs when deforming some SMAs

at temperatures above Af
16
16
8
12/9/2022
Shape Memory Alloys

Magnetic/Ferromagnetic
(Magnetically-induced transformation)
• In single crystalline Ni2MnGa bulk

material, strains as large as 10%
have been realized
• Short response times

• CHAPTER 1: Shape Memory Alloy
• Minimum magnetic flux density
for max strain ~6200 G (0.6 Tesla)
17
17
Shape Memory Alloys
Shape-Memory Polymers (SMP)

(Light-induced or electro-active
transformation)
Shape-Memory Ceramics (SMC)
Zirconia rods exhibit shape memory and superelastic properties 18
18
9
12/9/2022
Piezoelectric Materials
19
19
20
20
10
12/9/2022
21
21
22
22
11
12/9/2022
Magneto-strictive materials
• “A change in dimensions exhibited by ferromagnetic materials when
subjected to a magnetic field.” (Random House Dictionary)
• Linear 1-D magnetostriction model:
   / E yH  dH  T
B  d *    H  PT
23
Actuation modeled by the “direct effect”:
   / E yH  d 33 H    T
Sensing modeled by the “inverse effect”:
B  d 33
*
    H  P T
where H=nI
24
12
12/9/2022
The Direct Effect: The change in the dimensions of a ferromagnetic body

caused by a change in its state of magnetization.
DC or AC Magnetic Field d 33  d 
dH
l+l
 H=nI
25
The Inverse Effect: The change in the magnetic state of a ferromagnetic

body caused by a change in its state of stress.
DC Magnetic Field
d 33*  dB
d
B H0=110 Oe
26
13
12/9/2022
o o o
o o
o
WW
Above Curie temperature, domain ordering vanishes,
but order returns when cooled below Curie temperature.
27
Typical S.C. 19%-Ga Galfenol
actuator & sensor curves
•Actuator response to a given field depends on load
•Sensor response to a given stress depends on bias field
300 2
H=0 Oe
H=22.3 Oe
250 H=44.6 Oe
1.5 H=66.8 Oe
H=89.1 Oe
Magnetic Induction (Tesla)
200 H=111 Oe
H=167 Oe
strain(ppm)
H=223 Oe
H=446 Oe
150 1
H=891 Oe
100 0Mpa
15MPa 0.5
30MPa
50 45MPa
60MPa
80MPa
0 0
-400 -200 0 200 400 -120 -100 -80 -60 -40 -20 0
MagneticField(Oe)
stress(MPa)
28
14
12/9/2022
Electrorheological/ Magnetorheological Fluids
Liquids that harden or change shape

when they feel a magnetic field
29
29
30
30
15
12/9/2022
31
31
32
32
16
12/9/2022
33
33
34
34
17
12/9/2022
35
35
An ER fluid is typically a suspension consisting polarizable nano/micro-meter particles well

dispersed in a non-conducting, low-viscosity medium.
36
36
18
12/9/2022
37
37
38
38
19
12/9/2022
Carbon and Nano-carbons(Fullerenes)
• Fullerenes are spheroidal

molecules composed solely of
carbon, of which the most widely
known is C60,
• Composed of 60 carbon atoms.
• Their nanosize and peculiar

electronic properties rendered
them the subject of many
investigations for potential uses –
 Nanomedicine - drug delivery
 Photodynamic
 antioxidant and
 even antiviral therapy
39
39
Thank you
40
40
20
ME/MF F216, Materials
Science and Engineering
Pilani Campus
BITS Pilani
Pilani Campus

Composite materials
Date: 2/12/2022
3
Composites
Issues to address
• What are composites
• Types of composites
• Use of Composites
• Determination of stiffness & strength?
• Applications
• Problem

4
Fibrous Composite
• The word “Composite" means "consisting of two or more distinct parts“

5
Tailor- make properties of

Composites Materials
• Composite material exhibits high performance unattainable by the
individual constituents, due to its tailor-make material properties

6
Advantages of Composites
• Weight Reduction: High strength or stiffness to weight ratio
• Tailor able engineering properties
• Long Life: No Corrosion
• Lower Manufacturing Costs

7
Application of Composites

8
Airlines the biggest beneficial
https://www.aei.org/carpe-diem/even-with-fees-the-miracle-of-flight-remains-
a-real-bargain-cost-of-air-travel-per-mile-has-fallen-by-50-since-1980/

9
Classification of Composites
• Types of fibers
• Types of Matrix

10
Types of Composites based on

Fiber / reinforcement materials
• Reinforcements can be in the form of particles, flakes, whiskers, short
fibers, continuous fibers, or sheets

11
Types of Composites based

on types of matrix materials
• Polymer matrix composite
• Metal matrix composite
• Ceramic matrix composite
• Carbon matrix composite

12
Historical and Natural perspective

of Composites Materials
• Nature is full of composite materials
o Wood is a fibrous composite
o Bone: A natural composite that supports the weight of the body
o Carbon black in rubber
o Portland cement or asphalt mixed with sand

13
Types of Composite
Composites could be both natural or artificial
• Artificial Composite

14
Composite and Alloy

15
Composite
Manufacturing and Testing
Tensile test for Metals Tensile test for Composite

16
Isotropic and
Anisotropic material
Isotropic material Anisotropic material
• Normal stresses produce pure normal • Normal stresses produce normal as
strains, and shear stresses produce well as shear strains, and shear stresses
pure shear strains produce normal strains in addition to
• Isotropic slab pulled in tension, will shear strains
only produces normal strains • Anisotropic slab pulled in tension, will
• These strains are tensile in loading produce shear as well as normal strains
direction, and compressive (due to in the body
Poisson’s effect) in transverse direction • Further, if this slab is subjected to pure
• If subjected to pure shear stresses, it shear stresses, will exhibits not only
exhibits pure shear strain in X‐Y plane shear strain in X‐Y plane, but also
normal strains

Fiber orientation

Loading direction
Aligned Aligned Random

continuous discontinuous

20
Modes of loading
Longitudinal direction Transverse direction
Pc Pc Pc Pc
(a) Iso-strain or action in parallel (b) Iso-stress or action in series

21
Volume fractions
If total volume of the composite, vc, is
vc  v f  vm
Volume fraction of fiber and the matrix is given by
vf
Vf 
vc
vm
Vm 
vc

22
Longitudinal Young’s Modulus, E1
Fc = F f + Fm
E1  c Ac = E f  f A f + Em  m Am
If ( c =  f =  m), then:
iso-strain situation
Af
E1 = E f + E m Am
Ac Ac
E1 = E f V f + Em V m

23
Transversal Young’s Modulus, E2
In transverse loading, the fibers carry less of the load

- iso-stress
c = m = f =  c= mVm + fVf
1 Vm Vf
 
Ect Em Ef Pc Pc
iso-stress or action in series

24
Rule of Mixture
• Elastic modulus, Ec, of composites:
E1 = E f V f + Em V m
1 Vm Vf
 
Ect Em Ef
• Application to other properties:

1) Electrical conductivity, se: Replace E in equations with se
2) Thermal conductivity, k: Replace E in equations with k
25
Longitudinal Tensile Strength
• Interestingly, adding more and more fibers to the matrix will

decreases the ultimate tensile strength of the composite lower than
the matrix
• Thus, fiber volume fraction for which this is possible is called the
critical fiber volume

26
• Critical fiber length for effective stiffening & strengthening:

fiber strength in tension fiber diameter
f d
fiber length  15
c
shear strength of
fiber-matrix interface
• Ex: For fibre glass, fiber length > 15 mm needed
• Longer fibers carry stress more efficiently
Shorter, thicker fiber Longer, thinner fiber:
f d f d
fiber length  15 fiber length  15
c c
s(x) s(x)
Poorer fiber efficiency Better fiber efficiency

Example Problem 16.1
Callister
A continuous and aligned glass fiber–reinforced composite consists of 40
vol% glass fibers having a modulus of elasticity of 69 GPa and 60 vol%
polyester resin that, having a modulus of 3.4 Gpa
(a) Compute the modulus of elasticity of this composite in the longitudinal direction
(b) On a cross-sectional area of 250 mm2 a stress of 50 MPa is applied in
longitudinal direction, compute the magnitude of the load carried by each of the
fiber and matrix phases.
(c) Determine the strain that is sustained by each phase when the stress in part
(b) is applied

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Material Science and

Material Science and Engineering

Material Science and Scientist

• Professionals involved in the development and synthesis new

Material Engineering and Engineer

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

• These four components considered with regard the design, production

• Performance of a material depends on its properties, which are a

Processing Structure Properties Performance

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

• Evolution of Materials and Mankind goes hand in hand

• Development of societies have been closely tied to the ability to

• Early civilizations have been designated by the level of their

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• Non-ferrous and Polymer Age

• Exotic Material Age?

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Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

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Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Single Crystal Polycrystalline: Polycrystalline:

Transparent Translucent Opaque

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

Pick Application  Determine required Properties

Properties  Identify the candidate Materials

Material  Identify required Processing

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• Understand the relation between properties, structure and

• Recognize new design opportunities offered by materials

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• Professionals involved in the development and synthesis new

Material Engineering and Engineer

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1. What are different scales to study material’s structure?

2. What are the influences of theses structure on properties of

3. What are the different tools available to analyses theses

Dr Faizan Mohammad Rashid, PhD, IIT-Madras BITS Pilani, Pilani Campus

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It relates the arrangement of its internal components

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– If there is a change in Atomic structure, It will primarily

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