Announcement

• Lab session to start from Monday, Jan 8th

• Check moodle today afternoon for updated
lab groups and time
• Follow all the guidelines (given during Lecture
1) for lab sessions
• Next week lectures to be taken by Prof.
Rajesh Prasad

1
 Recap
q Concept of stability and metastability

q Internal energy

q Enthalpy

q Relationship between H and U

q Thermal and configurational entropy

q Gibbs free energy

q Maxwell Boltzmann Distribution

q Kinetics
Engineering Materials
Classification
Inter-Atomic Bonding,
& Crystal Geometry
 Origin of properties
All materials are made up of atoms

These atoms are held together by forces (called

interatomic bonds) These forces act like springs,
linking each atom to its neighbour

Several types of bonds form between atoms

The type of bonding between atoms can give

rise to very different properties
 Factors that influence material
properties
1) The nature of interatomic bonding that holds the
atom together

2) Atomic packing: no. of bonds per unit area and the

angle with which they are pulled

Materials Selection in Mechanical Design, 4th Edition, © 2010

Michael Ashby
 Bonding

• Primary bonding
– Ionic, covalent and metallic
– Typically between 100-1000 kJ/mol

• Secondary bonding
– Polymers
– Typically between 1-50 kJ/mol

7
 Interatomic Forces and Potential Energy
2.5 Bonding Fo

+
Attractive force FA F
de

Attraction
at
in
tw
r

Force F
0
de
Interatomic separation r at
Repulsive force FR R en

Repulsion
r0 se
Repulsion at
Net force FN

–
(! $12 ! $6 + (
σ σ - A B + (a)

( ) *
U R = 4ε # & − # & = *− 6 + 12 -
*" R % " R % - ) R R , +
) , Repulsive energy ER

Repulsion
Attraction
Potential energy E
Lennard-Jones Potential 0
Interatomic separation r
R
Net energy EN
Attraction

E0 Bond energy

Attractive energy EA
–
(b) 8
 Ionic Bonding
• Takes place between cations and anions.
• Needs electron transfer.
• Large difference in electronegativity required.
• Example: NaCl, MgO

9
 Covalent Bonding
• Requires shared electrons
H
• Example: CH4 CH4

C: 1s2, 2s2, 2p2 H C H

H: 1s1
H

Comparable Electronegativities

10
Metallic Bonding
• Arises from a sea of donated valence electrons.
• Primary bond for metals and their alloys.

• The outer electrons are so weakly bound to metal atoms

that they are free to roam across the entire metal. Individual
metal atoms are like positive ions in a swarm of electrons.
Secondary Bonding (Van der Waals
Bonding)
• Dipole interaction leads to this bonding

1. Fluctuating induced dipole bonds

2. Polar molecule induced dipole bonds
3. Permanent dipole bonds

A B
Van der Walls Energy U =− 6 + n n ~ 12
r r
Secondary Bonding (Van der Waals
Bonding): Examples
• Hydrogen Bonding
Properties from Bonding: Melting
Point
Properties from Bonding:
Coefficient of Thermal Expansion

Potential Energy Curves & Material Properties

(a)
Properties from Bonding: Elastic
Modulus
Elastic modulus
F DL
=E
Ao Lo

Energy

unstretched length
ro
r
smaller Elastic Modulus

larger Elastic Modulus

E is larger if Eo is larger.
 Atomic Packing in Engineering
Materials
Metals

Ceramics

Glasses

Polymers

Atomic Packing can broadly be divided into two categories

Atomic Packing in Engineering
Materials

Crystals: long range periodicity, Anisotropic

Amorphous: Homogeneous, isotropic
18
 Crystal
A 3D translationally periodic
arrangement of atoms in space
is called a crystal.

2D crystal
Translational Periodicity
Crystal

One can select a small volume of the crystal

which by periodic repetition generates the
entire crystal (without overlaps or gaps)

Unit
Cells Space filling

Building blocks of
crystal
 Few points about Unit cell
Unit cell is imaginary, it doesn't really
exist: We use them to understand the
crystallography

It should be space filling, no gaps, no overlaps

We tend to choose unit cells with angles close

to 90° and shortest unit cell edge length
 2D crystal
Unit cell of 2D crystal can be defined by two translation
vectors and angle between them
UNIT CELL:

The most common shape

of a unit cell is a
parallelepiped.
The description of a unit cell requires:
1. Its size and shape (lattice
parameters)

2. Its atomic
content
(fractional
coordinates)
Size and shape of the unit cell:
1. A corner as origin
2. Three edge vectors {a, b, c}
from the origin define a
a CRSYTALLOGRAPHIC
COORDINATE SYSTEM
b
c g
a
3. The three lengths a, b, c
and the three interaxial
b angles a, b, g are called the
LATTICE PARAMETERS.
 Lattice?
A 3D translationally
periodic arrangement of
points in space is called a
lattice.
Space Lattice

An array of points in space such that every point has

identical surroundings
Ø lattices are infinite (infinite array)
Ø Lattices ‘have translational periodicity’
or
Translationally periodic arrangement of points in space is
called a lattice

u We can have 1D, 2D or 3D arrays (lattices)

 Lattice

¥
¥
¥

!
b
!
¥

a
Each lattice point in a lattice has identical neighbourhood of other
lattice points.
Similarly one can create 3D lattice as well
Crystal Lattice

A 3D A 3D
translationally translationally
periodic periodic
arrangement arrangement of
of atoms points
What is the relation between
the two?

Crystal = Lattice + Motif

Motif or basis: an atom or a

group of atoms associated with
each lattice point
 Crystal=lattice+basis
Lattice: the underlying periodicity of
the crystal,
Basis: atom or group of atoms
associated with each lattice points
Lattice: how to repeat
Motif: what to repeat
Lattice + Motif = Crystal

+ =

Lattice + Heart = Love Crystal