Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544
 MT 201 Materials Science
(Course Details)
Total lecture – 30

Course Content
Marks Introduction
Mid Semester - May 24 – 27, 2022 (Tue-Fri)
End Semester - 50 Crystal Structure and Defects
End Semester - Jul 06 – 12, 2022 (Wed- Tue)
Mid Semester – 30 Phase Diagram
Class test – 20 Mechanical Properties

Other Properties of Materials

 Lecture 02

Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544
 Introduction to Materials Science

What is Materials Science?

Engine
Why it is important?
Body

Wheels Body frame

 Classification of Materials

A metal is a material that shows a lustrous appearance on fracture, and

conducts electricity and heat. Metals are typically malleable or ductile. A
1. Metals
metal may be a chemical element such as iron; an alloy such as stainless
steel; or a molecular compound such as polymeric sulfur nitride.

Ceramics are compounds between metallic and nonmetallic elements;

2. Ceramics they are most frequently oxides, nitrides, and carbides.

A polymer is any of a class of natural or synthetic substances

composed of very large molecules, which are multiples of simpler
chemical units called monomers. Polymers include the familiar plastic
and rubber materials. Many of them are organic compounds that are
chemically based on carbon, hydrogen, and other nonmetallic elements
3. Polymers (viz.O,N, and Si). Some of the common and familiar polymers are
polyethylene (PE), nylon, poly(vinyl chloride) (PVC), polycarbonate (PC)

A composite is composed of two (or more) individual materials, which

4. Composites come from the categories discussed above—viz., metals, ceramics, and
polymers.
5. Advanced Materials

Semiconductors have electrical properties that are intermediate between the electrical conductors
Semiconductors (viz. metals and metal alloys) and insulators (viz. ceramics and
polymers)

Biomaterials Biomaterials are employed in components implanted into the human body for replacement of
diseased or damaged body parts. Eg. Metals, ceramics, polymer, composits, etc.

Smart (or intelligent) materials are a group of new and state-of-the-art materials which convert one
Smart Materials form of energy to another. E.g shape memory alloys.

The ability to carefully arrange atoms provides opportunities to

Nanoengineered Materials
develop mechanical, electrical, magnetic, and other properties
Properties of materials
Classification of structure of materials

Depending on the level, we can classify the structure of materials as

Macrostructure
Microstructure
Substructure
Crystal Structure

Millimetre range
micrometre range

nanometre range
Pico metre range
 Structure-Property relationship in Materials

Effect of Microstructure, substructure and crystal structure on the mechanical, electrical and magnetic properties.

This includes the study of crystal geometry, imperfection in crystals, equilibrium and kinetics, microstructure, etc
 Lecture 03

Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544
 Crystal Structure

Crystalline Arrangement of atoms in a periodically repeated patterns

Crystal Non regular arrangements of atoms are non crystalline materials
Non crystalline

Lattice Arrangements of points in space in periodically repeating patterns

An atom or group of atoms associated with each lattice point is called basis of the crystal
Basis

Crystal = Lattice + Basis

Array of points in space An atom or group of atoms

 Space lattice - Arrangements of points in space in periodically repeating patterns
2D array of points
An infinite array of points in three
dimensions in which every points has
surrounding identical to that of every other
points in the array

Repeated translation of vectors a and b in

2D we can generate the square array

A unit cell is the smallest unit which when

repeated in space will generate the space
lattice
Effective no of points in a unit cell is one
 Bravais Lattice
z

3D space lattice is generated by repeated translation of three noncoplanar

vectors
c
There are only 14 possible ways of arranging points in 3D space such that
β
γ b each arrangement conforms to the definition of space lattice
α y
a
These 14 space lattice are known as Bravais Lattice

x Out of these 14 space lattice, 7 are Primitive lattice

What is the effective number of lattice points in unit cell?

 Classifications of Lattices
Crystal System Conventional Unit Cells Bravais Lattice
1 Cubic a=b=c, α=β=γ=90° P I F
7 Crustal Systems 2 Tetragonal a=b≠c, α=β=γ=90° P I
3 Orthorhombic a≠b≠c, α=β=γ=90° P I F C
14 Bravais Lattice
4 Hexagonal a=b≠c, α=β=γ=90°, r=120° P

5 Rhombohedral a=b=c, α=β=γ≠90°, P

6 Monoclinic a≠b≠c, α=γ=90°, β≠90° P C
7 Triclinic a≠b≠c, α≠β≠γ P

P = Primitive or Simple (Lattice Points are only at the corners)

I = Body-centred (Lattice points are at corners + at body centre
F = Face-centred (Lattice points are at corners + at face centre
C = End centred or base centred (Lattice points are at corner + one pair
of parallel face centres
 Classifications of Lattices

Simple Cubic Body Centred Cubic Face Centred Cubic

(SC) (BCC) (FCC)

Cubic system does not have end centre or base centre lattice
Orthogonal have end centre or base centre lattice
What is the effective number of lattice points in unit cell of BCC, FCC?
Is there any possibility of edge centre Cubic? Why we do not have edge centre cubic?
 Crystal symmetry
An object is said to be symmetric with respect to a geometric operation if it
Types of crystal symmetry can brought into self-coincidence by that operation

• Translation symmetry

• Rotational symmetry
Non-translation or point translation
• Reflection symmetry

An object is said to possess an n-fold axis of rotation if it is brought into self-coincidence by a rotation through a minimum angle
θmin = 360°/n , n = nth fold of rotation
θmin = 180° 2 fold symmetry

θmin = 90° 4 fold symmetry

θmin = 120° 3 fold symmetry

Crystal = Lattice + Basis

Array of points in space An atom or group of atoms

 Crystal Directions and Planes
(Miller Indices)
z

X
Shape Memory Alloys

Austenite

NiTi

Martensite
 Lecture 04

Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544
Crystal Directions and Planes
(Miller Indices)
z

X
 Miller Indices of Planes

Planes intersection the three axes

Taking reciprocals of the intercepts

Interplanar spacing
Converting it into smallest integers in the same ratio
z ( hkl )
( hkl )

Interplanar spacing of dhkl

dhkl ( hkl ) plane

Y 𝑑{ℎ𝑘𝑙} =
𝑎
For cubic crystal
ℎ2 + 𝑘 2 + 𝑙 2

X
 Miller-Bravais Indices for Hexagonal crystal

Hexagonal crystal indices notation ( hkil )

3 coplanar axes a1,a2 and a3 lie on the basal plane with 120° angle between them
4 axis is the c axis in z direction which is perpendicular to the basal plane
In this notation h+k = -1

Three indices system can be

converted to four indices system by
these equation
 Lecture 05

Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544
 Structure determination X-ray Diffraction

Incident x-rays

Incident x-rays

Atoms

X-rays emitted by the target consists of a

continuous range of wavelength, called
white radiation, consisting a range of
wavelength.
 XRD patterns

For any d values of 2Å the maximum permissible wavelength will

be 4Å as maximum values of sin θ is 1

For 2nd order reflection of (100) plane

2λ = 2d100 sinθ
λ = d100 sinθ
For 1st order reflection 200 plane
λ = 2d200 sinθ

d spacing for (100) is half of the (200). Both reflection are identical.

How we can index a plane knowing the diffracted angle From Braggs law we can determine d
for any given order of reflection? d= λ/(2sin θ)
For any lattice parameter a=3.16Å and x-ray beam wave From d spacing formula
length λ=1.54Å. What will be d spacing and miller indices h2 + k2 + l2 = a2/d2
of the 3 order reflection at diffracted angle of θ=36.7° Solving this will give the (hkl) plane
 Structure Determination

Combining the interplanar spacing and Bragg’s equation

 Lecture 06

Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544
Atomic structure and interatomic bonding
The Quantum states

Heisenberg uncertainty principle – momentum and position of electron cannot be specified

precisely

wave-mechanical model - the electron is considered to exhibit both wave-like and particle-
like characteristics. Electron is no longer treated as a particle moving in a discrete orbital;
rather, position is considered to be the probability of an electron’s being at various locations
around the nucleus.

Each electron orbital is called quantum states with a set of quantum numbers n, l, m l, ms
-Principal quantum numbers – principal electron orbital (n)
-Orbital angular momentum – shape of the electron orbital (l), values of l defines suborbitals
-Magnetic quantum number – (ml), spatial orientation of the electron probability density
cloud
-Electron spin quantum number – (ms ), it defines the spin of the electrons

Pauli exclusion principle – no two electron can have the same set of quantum numbers i.e
only one electron can occupy a given quantum numbers.
 Ionization Potential, Electron Affinity and Electronegativity
Ionization Potential - The energy required to remove an electron.
The energy required to remove the outermost electron, which is weakly bound to the atom is called first ionization potentials

Electron Affinity – work done by the system when the extra electron is attracted from infinity to the outer orbital of the
neutral atom.

When an extra electron is added to the neutral atom, there is weakening of the attraction of the electrons to the nucleus.

Electronegativity – The tendency of an atom to attract electrons to itself during the formation of bonds with other atoms is
measured by electronegativity of that atom.
Bonding Forces and Energies

Bond energy – minimum potential energy at distance corresponds to stable

equilibrium.

Types of bonds
-Primary bond (bond energies (100-1000kJ/mol)) – Ionic, covalent and
metallic
-Secondary bond (1-50kJ/mol) – van der waals and hydrogen bond

Bond length – centre to centre distance of the bonding atoms.

Primary bond – 1-2Å
Secondary bond – 2-5Å
Atomic or ionic diameter

When bonding between to similar atoms, then the atomic

diameter is same as bond length

When two bonding atoms are of different types, then the

bond length will be equal to the sum of their radii.
 Bonding

Ionic bonding – Ionic bonding forms between two oppositely charged ions which are produced by the transfer of electrons
from one atom to another. It consists of following steps
-Production of ions of opposite sign
-The coulomb attraction
-The short range repulsion

Covalent bonding – Covalent bond occurs by the sharing of electrons between neighbouring atoms.

Metallic Bonding - Metallic materials have one, two, or at most, three valence
electrons. these valence electrons are not bound to any particular atom in the
solid and are more or less free to drift throughout the entire metal. forming a
“sea of electrons” or an “electron cloud.”
The remaining nonvalence electrons and atomic nuclei form what are called
ion cores, which possess a net positive charge equal in magnitude to the total
valence electron charge per atom.
 Variation in bonding character and properties

• Higher the bond strength higher energy is required to break the bond, correspondingly stronger
bonded materials have higher melting and boiling points

• Thermal and electrical conductivity of solids depends on the presence of free electrons.
• Typically ionic and covalent materials are good thermal and electrical conductors

• Mechanical properties of solids are dependent on the strength of the bonds as well as the directional
nature of the bond
 Lecture 07

Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544
 Crystalline and non-crystalline

• Long range periodicity of atoms

• Does not have the long range periodicity of atoms
• Lattice translation is possible
• Lattice translation is not possible
• Diffraction is possible due to long range periodicity
• Diffraction pattern are not sharp

Factors Promote the formation of noncrystalline structures

• Bond direction

• Free Energy

• Rate of cooling
 Structures of Metal and alloys

Close Packing
Metallic bonds are nondirectional. Each metal
atoms tends to surround itself as many
neighbors as possible, this bring the condition
for close packing of atoms

Stacking
For close packing another row of atoms sits
between two adjacent atoms of the first row.

In a layer of atoms, one centre atoms is

surrounded by six neighbor atoms.
Structures of Metal and alloys
Coordination number and packing efficiency

Coordination number Packing efficiency

Number of nearest neighbor of an atom
SC – 6 Packing efficiency = volume of atoms in a unit
BCC – 8 cell/Volume of unit cell
FCC - 12 SC – 0.34
BCC – 0.52
FCC – 0.74
 Voids

• Tetrahedral voids

• Octahedral voids
Tetrahedral void is formed between three spheres on a closed
packed plane and a fourth on the adjacent plane fitting the
cavity space between three.
Eight tetrahedral voids in the FCC unit cell.

An octahedral void is formed three spheres on a closed

packed plane and three more spheres on an adjacent closed
pack plane are positioned such that the centres of the three
spheres are directly over the three triangular valleys
surrounding the central valley of the first plane with no
sphere over the centre valley

Effective number of octahedral void per FCC unit cell

1 + 12x1/4 = 4
 Structures of Silica and Silicates
Silicate tetrahedron is a basic repeating unit in the structure of silica and silicates. A tetravalent
silicon ion is surrounded by four anions, (SO4)4-

The charge on the unit (SO4)4- should be neutralized by formation of primary bonds with other
units/cations.

SiO2 cannot form a closed pack layer of oxygen anion with cations due to cation-cation repulsion
in the tetrahedral voids

3D network of tetrahedra, each corner of the tetrahedral is shared by another corner of tetrahydra forming a 3D structure
Effective number of silicon cation per unit tetrahedral – 1, oxygen – 4x1/2 = 2, i.e each corner is shared by two tetrahedra
According to the cornered shared, the structure of many minerals can be
classified as island, chain, sheet and 3D network

Island Structure: when the tetrahedral do not share any corner directly i.e
at all the four corner each tetrardra is joined to another tetrahedral
through other cations in the minerals.

Single chain Structure: Single chain structure is produced when the

tetrahedron joined at two corner to other tetrahedral directly, with the
remaining two corners joined through other cations.
 Structures of Polymers
Most of the organic polymers are based on the covalent bonds formed by carbon.
The electrons are bonded strongly by the localized sharing.
Monomers are the smallest unit of polymer which when repeated to form a chain of monomers then the long chain
monomers are called polymers. Long chain polymers are held together by secondary bonds in a polymeric solid. If the
bonding occurs in other direction then a network of primary bond will form in 3D molecule.

Classifications of Polymers
• Thermoplasts These classification is based on the behaviour with a change in the temperature
• Thermosets Thermoplasts increases its ability to deform plastically with increasing temperature.
Thermosets do not soften on heating.

Long chain polymers

• Plastics Long chain polymers are randomly oriented in plastics
• Fibers All the long chains are aligned in the long direction of fibre. Excellent mechanical
• Elastomers properties along the direction parallel to the fibre.
Long chain molecules with unique rubbery behavior.
Structure of long chain polymer

ethylene Polymerization

Degree Polymerization defines the number of repeating monomers in a chain.

Therefore, molecular weight of chain molecule = (degree of polymerization) X (molecular weight of monomer)

Nylon (6,6) monomer

 Crystallinity of long chain polymers
Long chain polymers are usually in the noncrystalline form or semicrystalline form.
In all polymers long chain can be aligned to some extent by mechanical working. Such an alignment promotes crystallinity.
The density increases with increasing alignment as the chains are more closely packed.

Factors promotes non crystallinity

Very long chains gets tangles very easily therefore difficult to crystallize
Long chain at some points along its length bifurcate into two brances. This introduces primary bond bridges between chain at
random points and impedes the parallel alignment of chain.
Irradiation of polymer knock off a small side group where the end of another molecule can bond, producing a bond structure.
 Lecture 08

Materials Science (MO 201)

Department of Metallurgical Engineering

Indian Institute of Technology (BHU), Varanasi

Course Instructor
Dr. Lakhindra Marandi Dr. Praveen Sathiyamoorthi
Email – Lakhindra.met@itbhu.ac.in Email – Praveen.met@iitbhu.ac.in
Contact no. – 9304462699 Contact no. - 7904982544