Engineering Materials

SYLLABUS

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Phase transformations TTT di earn

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 Crystals: long range periodicity, Anisotropic
Amorphous: Homogeneous, isotropic
Examples of crystalline and amorphous solids
Courtesy: H Bhadhesia
 Types of solids
Crystalline material: periodic array

Crystalline solids exhibit range order in their atomic

long arrangement
Single crystal: periodic array over the entire extent of the material
Polycrystalline material: many small crystals or grains

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2 Grain boundary
3
 Types of solids
Amorphous: lacks a systematic atomic arrangement (short range
order)

Crystalline Amorphous

SiO2
 Atomic Packing in Crystals
• Many engineering solids are made of small crystals in which
atoms are arranged in a regular repeating three dimensional
pattern

Look at the atomic arrangement in an individual crystal

Atoms often behave as if they are hard and spherical

Layer A represents the close-packed layer – there is no way to pack

the atoms
more closely than this

This close packed plane contains three close packed direction

grated

Materials: engineering, science, processing and design, 2nd edition Copyright (c)2010 Michael Ashby, Hugh Shercliff, David Cebon
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 Atomic Packing in Crystals
• Now think about adding a second layer of atom to this close
packed layer

• See depressions where atoms meet are ideal seats for next
layer of atoms

• Likewise third, fourth and many layers can be added to make

a sizeable piece of crystal

• This sounds simple--apparently there are two alternative and

different sequences in which we can stack the close packed
planes on top of one another
 Close-packed structures

ABABAB stacking sequence: Close packed hexagonal

ABCABC stacking sequence: Face-centered cubic

These two different stacking sequences give two different three

dimensional packing structures

Materials: engineering, science, processing and design, 2nd edition Copyright (c)2010 Michael Ashby, Hugh Shercliff, David Cebon
 Face-centered Cubic (FCC)
Atoms located at corners and on centers
of faces
Cu, Al, Ag, Au have this crystal structure
Platinum 8 Iron Austenite

Two representations of the FCC unit cell

 Face-centered Cubic (FCC)
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Hard spheres touch along diagonal a
the cube edge length, a= 2R 2
Eat
EEE
The coordination number, CN = number of closest
neighbors = number of touching atoms, CN = 12
o
Number of atoms per unit cell, n = 4. FCC unit
cell:
6 face atoms shared by two cells: 6 x 1/2 =3
8 corner atoms shared by eight cells: 8 x 1/8 = 1
R

Atomic packing factor, APF

= fraction of volume occupied by hard spheres a
= (Sum of atomic volumes)/(Volume of cell)
atoms
= 0.74 (maximum possible)
of
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 Atomic packing fraction

APF= Volume of Atoms/ Volume of Cell

Volume of Atoms = n (4π/3) R3

Volume of Cell = a3

CP FCC ABC ABC

HCP ARAB
 Hexagonal close packed (HCP)
Six atoms form regular hexagon surrounding one atom in center
Another plane is situated halfway up unit cell (c-axis) with 3
additional atoms situated at interstices of hexagonal (close-
packed) planes
Cd, Mg, Zn, Ti have this crystal structure HI

Eliot

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I t
a

a
Hexagonal close packed (HCP)
Unit cell has two lattice parameters a and c. Ideal

A
ratio c/a = 1.633
The coordination number, CN = 12 (same as in

q
FCC)
Number of atoms per unit cell, n = 6.
3 mid-plane atoms not shared: 3 x 1 = 3
12 hexagonal corner atoms shared by 6 cells: 12 x 1/6 = 2
2 top/bottom plane center atoms shared by 2 cells: 2 x 1/2 = 1

Atomic packing factor, APF = 0.74 (same as in

FCC)

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 Non Close-Packed Structures
00 Body-centered cubic
00 (W, Cr, Fe and
many impotant steels)

ABABAB packing sequence

Packing fraction = 0.68
D
a

I
Amorphous structure:
Packing fraction ≤ 0.64

APF Z X Is a
s
3 2oI
Materials: engineering, science, processing and design, 2nd edition Copyright (c)2010 Michael Ashby, Hugh Shercliff, David Cebon
 Body-centered cubic structure

a
Hard spheres touch along cube diagonal
cube edge length, a= 4R/ 3
The coordination number, CN = 8
Number of atoms per unit cell, n = 2
Center atom not shared: 1 x 1= 1
8 corner atoms shared by eight cells: 8 x 1/8 = 1

a
Atomic packing factor, APF = 0.68
Identifying crystal planes and
directions: Miller Indices
 Miller Indices of Directions
z

1. Choose a point on the direction as the origin.

2. Choose a coordinate system with axes

c
parallel to the unit cell edges.

y 3. Find the coordinates of another point on

b the direction in terms of a, b and c
a

1a+0b+0c
x
00 1, 0, 0

4. Reduce the coordinates to smallest integers. 1, 0, 0

0
5. Put in square brackets [100]
 Miller Indices of Directions
z
[100]
d od All parallel directions
y have the same Miller

I l indices
HEI
x

z
 Miller Indices of Directions
Direction
OA
z OA=1/2 a + 1/2 b + 1 c
Q z 1/2, 1/2, 1
A
i
[1 1 2]
C12T
Direction PQ
O YT
PQ = -1 a -1 b + 1 c

x P 0Y -1, -1, 1
__
O
x
[111]

-ve steps are shown as bar over the number

 Miller Indices for Planes
z

(1.) Select a crystallographic

coordinate system with origin not
I on the plane
l
l
(2.) Find intercepts along axes 1 1 1
l
g
o (3.) Take reciprocal 1 1 1

eO toy
(4.) Convert to smallest
xI integers in the same ratio 1 1 1
s

(5.) Enclose in parenthesis (111)I

k
 Miller Indices for Planes
Plane ABCD OCBE

origin O O*
z
z
intercepts 1 ∞∞ ∞
000
1 -1
E
jg reciprocals 100 1 -1 0
_
A Miller Indices (1 0 0) (1 1 0)
B
fl
O*
O

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Zero represents that Bar represents
the plane is parallel to a negative
D
the corresponding axis intercept
C

x
Hx s I
Iz ICO

r I 2
 Miller Indices for Planes

z
All parallel planes have the
E
same Miller Indices

___
A
B (h k l ) (h k l )
O

y
_
D
C
(100) (100)
x

(100)
Miller Indices for Planes

Miller indices of a
family of symmetry
related planes

All the faces of the cube

are equivalent to each
other by symmetry

Front & back faces: (100)

Left and right faces: (010)

Top and bottom faces: (001)

{100} = (100), (010), (001)

I
 HCP crystals
Whatever we have discussed is true for cubic crystals:

Miller Indices

For hexagonal crystals Miller Bravais system needs to

be used: 4 index notation
I b
We will keep things simple for now.....
x3
x3

x2

x2

x1
x1
Crystal Defects or imperfections
Defects exists in all solid materials. For ease of their characterization, Defects are:
[Link] defects (zero-dimensional)
[Link] defects (single dimensional)
[Link] defects (two dimensional)
[Link] defects (three dimensional)
Point defects
Point defects, as the name implies, are imperfect point-like regions in the crystal.
Typical size of a point defect is about 1-2 atomic diameters. Different point defects
are explained in the following paragraphs.

A vacancy is a vacant lattice position from where the atom is missing. It is

usually created when the solid is formed by cooling the liquid. There are other
ways of making a vacancy, but they also occur naturally as a result of thermal
excitation.
At equilibrium, number of sites that are vacant at a given temperature
(T) are:

where Nv is the equilibrium number of vacant sites in N atomic sites, k is gas or

Boltzmann’s constant, T is absolute temperature in kelvins, and Qv is the energy
required for formation of a vacancy. It is clear from the equation that there is an
exponential increase in number of vacancies with temperature.
room

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F and f
0
Interstitial atom or interstitialcy is an atom that occupies a place outside
the normal lattice position. It may be the same type of atom as the rest
surrounding it (self interstitial) or a foreign impurity atom. Interstitialcy is most
probable if the atomic packing factor is low.

Substitutional atom Another way an impurity atom can be fitted into a crystal
lattice is by substitution. A substitutional atom is a foreign atom occupying original
lattice position by displacing the parent atom.

In ionic crystals, existence of point defects is subjected to the condition of charge

neutrality. There are following two possibilities for point defects in ionic solids.

Frenkel defect when an ion displaced from a regular position to an interstitial

position creating a vacancy, the pair of vacancy-interstitial is called Frenkel defect.

Schottky defect a pair of one cation and one anion can be missing from an ionic
crystal, without violating the condition of charge neutrality when the valency of ions
is equal. The pair of vacant sites, thus formed, is called Schottky defect.

Line defects or Dislocations:

Dislocations occur when an extra incomplete plane is inserted. The dislocation line is
at the end of the plane.
Dislocation is a boundary between the slipped and the unslipped parts of the crystal
lying over a slip plane
Dislocations can be best understood by referring to two limiting cases –
Edge dislocation and Screw dislocation.

Edge dislocation or Taylor-Orowan dislocation

is characterized by a Burger’s vector that is perpendicular to the dislocation line. It
may be described as an edge of an extra plane of atoms within a crystal structure.
Thus regions of compression and tension are associated with an edge dislocation.
Edge dislocation is considered positive when compressive stresses present above the
dislocation line, and is represented by ┴. If the stress state is opposite
i.e. compressive stresses exist below the dislocation line, it is considered as
negative edge dislocation, and represented by ┬.
 Edgedest

O to

Slipped Unslipped
part part
of the of the
crystal crystal
 Burgers Vector
Edge dislocation

Crystal with edge dislocation

Perfect crystal

RHFS:
Right Hand Finish to Start
convention

Screw dislocation or Burgers dislocation

has its dislocation line parallel to the Burger’s vector.

A positive screw dislocation is represented by a dot surrounded by

circular direction in clock-wise direction”, whereas the negative
screw dislocation is represented by a dot surrounded by a circular
direction in anti-clock-wise direction”.
Interfacial defects or Surface defects

Grain boundaries: Crystalline solids are, usually, made of

number of grains separated bygrain boundaries. Grain
boundaries are several atoms distances wide, and there is
mismatch of orientation of grains on either side of the
boundary as shown in [Link] this misalignment is slight, on
the order of few degrees (< 10°), it is called low angle grain
boundary.
If the low grain boundary is
formed
by edge dislocations, it is called t
tilt boundary, and twist
boundary ifFy it is formed of
screw dislocations.

Twin boundaries: It is a special type of grain boundary

across which there is specific mirror lattice symmetry.
PHASE DIAGRAMS
A pure substance, under equilibrium conditions, may exist as either of a phase namely
vapor, liquid or solid, depending upon the conditions of temperature and
pressure. A phase can be defined as a homogeneous portion of a system that has
uniform physical and chemical characteristics.

Component – is either pure metal and/or compounds of which an alloy is composed.

System – it can either refer to a specific body of material under consideration.
Solid solution – it consists of atoms of at least two different types where solute atoms
occupy either substitutional or interstitial positions in the solvent lattice and the
crystal structure of the solvent is maintained.

Solubility limit – for almost all alloy systems, at a specific temperature, a maximum
concentration of solute atoms can dissolve in solvent phase to form a solid solution.
The limit is known as solubility limit. In general, solubility limit changes with
temperature.
If solute available is more than the solubility limit that may lead to formation of
different phase, either a solid solution or compound.
Variables of a system – These include two external variables namely temperature and
pressure along with internal variable such as composition (C) and number of phases
(P). Number of independent variables among these gives the degrees of freedom (F) .
All these are related for a chosen system as follows:
P+F=C+2
which is known as Gibbs Phase rule.

For practical purpose, in metallurgical and materials field, pressure can be considered
as a constant, and thus the condensed phase rule is given as follows:
P +O
F = C +1
Equilibrium Phase Diagrams :
Equilibrium phase diagrams represent the relationships between temperature and the
compositions and the quantities of phases at equilibrium. In general practice it is
sufficient to consider only solid and liquid phases, thus pressure is assumed to be
constant (1 atm.) in most applications.
ONE-COMPONENT (OR UNARY) PHASE DIAGRAMS
there are three externally controllable
parameters that will affect phase
watch structure—temperature, pressure, and
composition and phase diagrams are
constructed when various
combinations of these parameters are
plotted against one another.

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Perhaps the simplest and easiest type
of phase diagram to understand is
thatfor a one-component system, in
which composition is held constant
(i.e., the phase diagram is for a pure
substance); this means that pressure
and temperature are the [Link]
one-component phase diagram (or
unary phase diagram) [sometimes also
called a pressure–temperature (or P–T)
diagram] .
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Binary Phase Diagrams
Another type of extremely common phase diagram is one in which temperature and
composition are variable parameters, and pressure is held constant— normally 1
atm.
These diagrams constitutes two components, e.g.: two metals (Cu and Ni), or a metal
and a compound (Fe and Fe3C), or two compounds (Al2O3 and Si2O3), etc.
Binary systems are classified according to their solid solubility.

1 . The Materials which are completely soluble in liquid and solid

state i.e. Known as Isomorphous System. E.g.: Cu-Ni, Ag-Au, Ge-Si,
Al2O3-Cr2O3.

Figure depicts a typical phase diagram for an isomorphous system made of two
metallic elements A and B
There are only two phases in the phase diagram,the liquid and the solid phases.
These single-phases regions are separated by a two-phase region where both
liquid and solid co-exist. The area in the figure above the line marked liquidus (A’bB’)
corresponds to the region of stability of the liquid phase, and the area below the
solidus line (A’dB’) represents the stable region for the solid phase.
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For the interpretation of the phase diagram, let’s consider
the vertical line ae drawn corresponding to composition of
50%A +50%B and assume that the system is undergoing
equilibrium cooling. The point a on the line ae signifies that
for that particular
temperature and composition, only liquid phase is stable.
This is true up to the point b which lies on the liquidus line,
representing the starting of solidification. Completion of
solidification of the alloy is represented by the point, d.
Point e corresponds to single phase solid region up to the
room temperature. Point c lies in the two-phase region
made of both liquid and solid phases.
 Procedure to find
equilibrium
concentrations of
phases:
A tie-line or isotherm
(DE) is drawn across

I
two-phase region to
intersect the
boundaries of the
region.
Perpendiculars are
dropped from these
intersections to the
I composition axis,
represented by Cl and
y B
Cs in figure, from which

O O
each of each phase is
read. Cl represents
composition of liquid
e
phase and Cs
represents composition
of solid phase as
F
intersection D meets
liquidus line and E
meets solidus line.

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2. The Materials which are completely soluble in liquid but
a partially soluble in solid state. e.g.: Cu-Ag, Pb-Sn.
Many of the binary systems with limited solubility are of eutectic type, which consists
of specific alloy composition known as eutectic composition that solidifies at a lower
temperature than all other compositions.
This low temperature which corresponds to the lowest temperature at
which the liquid can exist when cooled under equilibrium conditions is
known as eutectic temperature.
The corresponding point on the phase diagram is called eutectic point.
When the liquid of eutectic composition is cooled, at or below eutectic
temperature this liquid transforms simultaneously into two solid phases
(two terminal solid solutions, represented by α and β). This
transformation is known as eutectic reaction and is written symbolically
as: Liquid (L) ↔ solid solution-1 (α) + solid solution-2 (β)

By Gibbs Phase rule 0.00

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3. The Materials which are completely soluble in liquid and
completely insoluble in solid state .

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 THE IRON–IRON CARBIDE (Fe–Fe3C) PHASE DIAGRAM
(OR)
IRON CARBON PHASE DIAGRAM:

The composition axis in Figure extends only to 6.70 wt% C; at

this concentration the intermediate compound iron carbide, or
cementite (Fe3C), is formed, which is represented by a vertical
line on the phase diagram. Thus, the iron–carbon system may
be divided into two parts: an iron-rich portion, as in Figure, and
the other (not shown) for compositions between 6.70 and 100
wt% C (pure graphite). In practice, all steels and cast irons have
carbon contents less than 6.70 wt% C; therefore, we consider
only the iron–iron carbide system.
Figure would be more appropriately labeled the Fe–Fe3C
phase diagram, because Fe3C is now considered to be a
component.

• Regions: Steels: C wt% <2% ;

• Phases:
0
Cast iron: C wt % >2%

Ferrite: delta and alpha

Austenite: gamma
Cementite: Fe3C
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ISOTHERMAL TRANSFORMATION DIAGRAMS
Consider again the iron–iron carbide eutectoid reaction which is fundamental to
the development of microstructure in steel alloys.

Temperature plays an important role in the rate of the austenite-to-pearlite transformation The
temperature dependence for an iron–carbon alloy of eutectoid composition is indicated in
Figure , which plots S-shaped curves of the percentage transformation versus the logarithm of
time at three different temperatures.

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 3
log
Time–temperature–transformation (or T–T–T) plots:

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C curves are determined using quench-hold-quench sequences.

Quenched samples are metallographically analysed to get an

estimate of the fraction of material transformed .

Complete C curves can be obtained by doing several experiments at

different temperatures and times
 O

Why do we get C-Shaped Curve ???

 O
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f CE

An actual isothermal heat treatment curve (ABCD) is superimposed on the

isothermal transformation diagram for a eutectoid iron–carbon alloy in Figure
Very rapid cooling of austenite to a temperature is indicated by the near-vertical
line AB, and the isothermal treatment at this temperature is represented by the
horizontal segment BCD. Of course, time increases from left to right along this
line The transformation of austenite to pearlite begins at the intersection, point C
and has reached completion to point D

It
At temperatures just below the eutectoid, relatively thick
layers of both the
ferrite and Fe3C phases are produced; this microstructure is
called coarse pearlite,
At these temperatures, diffusion rates are relatively high,
such that during the transformation illustrated carbon atoms
can diffuse relatively long distances, which results in the
formation of thick lamellae.
With decreasing temperature, the carbon diffusion rate
decreases, and the layers become progressively thinner.
The thin-layered structure produced in the vicinity of 540 C
is termed fine pearlite.

The transformation temperatures below 550 c, austenite

results in different product known as bainite.
Bainite also consists of α–ferrite and cementite phases i.e.
transformation is again diffusion controlled but
morphologically it consists of very small particles of
cementite within or between fine ferrite plates. It differs
from pearlite in the sense that different mechanism is
involved in formation of bainite which does not have
alternating layers of α–ferrite and cementite.
Upper bainite, formed at the upper end of the temperature
0
range (550 c-350 c)
If the transformation is taking place at lower temperatures
(350 c – 220 c), then Lower bainite is formed.
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If steel is cooled rapid enough so that diffusion of carbon can be arrested.

Transformation of austenite to Martensite is diffusion-less, time independent and the
extent of transformation depends on the transformation temperature. Martensite is a
meta-stable phase and decomposes into ferrite and pearlite.
Thermal processing or Heat Treatment
Two main kinds of metal processing methods – Mechanical and Thermal (Heat Treatment).
Purpose of heat treatment:
Improvement in ductility
Relieving internal stresses
Grain size refinement
Increase of strength
Improvement in machinability and toughness

Heat treatment of materials involves number of factors –

Temperature up to which material is heated
Length of time that the material is held at the elevated temperature
Rate of cooling
The surrounding atmosphere under the thermal treatment.

Thermal processing methods

Thermal processes may be broadly classified into two categories based on cooling rates from
elevated temperatures: Annealing AND Quenching & Tempering.
These differ in the way material is cooled from an elevated temperature.
Annealing involves cooling the material slowly, allowing phase changes. During annealing,
material is cooled in air and/or heating furnace itself.
Quenching (also known as hardening) means cooling the material at a rapid rate to arrest the
equilibrium phase transformations. For quenching, material is immersed in water / oil quench
bath.

Annealing techniques
Annealing can be defined as a heat treatment process in which the material is taken to a high
temperature, kept there for some time and then cooled. High temperatures allow diffusion
processes to occur fast. The time at the high temperature (soaking time) must be long enough
to allow the desired transformation to occur. Cooling is done slowly to avoid the distortion
(warping) by differential contraction.
Benefits of annealing:
Relieve stresses
Increase softness, ductility and toughness
Produce a specific microstructure
Process Annealing: Applied to cold worked materials to negate effects of cold work.
During this heat treatment, material becomes soft and thus its ductility will be
increased considerably

Stress relief: operation removes the stresses that might have been generated during
plastic deformation, non-uniform cooling, or phase transformation.
Unless removed, these stresses may cause distortion of components.

Full annealing: is normally used for products that are to be machined subsequently,
such as transmission gear blanks. After heating and keeping at an elevated temperature,
components are cooled in furnace to effect very slow cooling rates. Typically, the
product receives additional heat treatments after machining to restore hardness and
strength.
Normalizing: is used to refine the grains and produce a more uniform and
Desirable size distribution. It involves heating the component to attain single phase
(e.g.: austenite in steels), then cooling in open air atmosphere.

Quenching and Tempering processes

Quenching is heat treatment process where material is cooled at a rapid rate from
elevated temperature to produce Martensite phase. This process is also known as
hardening. Rapid cooling rates are accomplished by immersing the components in a
quench bath that usually contains quench media in form of either water or oil.
Quenching process is almost always followed by tempering heat treatment. Tempering
is the process of heating martensitic steel at a temperature below the eutectoid

e
transformation temperature to make it softer and more ductile.
Martempering is used to minimize distortion and cracking. It involves cooling the
austenized steel to temperature just above Ms temperature, holding it there until
temperature is uniform, followed by cooling at a moderate rate to room temperature
before austenite-to-bainite transformation begins. The final structure of martempered
steel is tempered Martensite.
Austempering involves austenite-to-bainite transformation. Thus, the final structure
of austempered steel is bainite.
Case Hardening
In case hardening, the surface of the steel is made hard and wear resistant, but the core
remains soft and tough. Such a combination of properties is desired in
applications such as gears.

Induction hardening
Here, an alternating current of high frequency passes through an induction coil enclosing
the steel part to be heat treated.
The induced e m f heats the steel.
Immediately after heating, water jets are activated to quench the surface.
Martensite is produced at the surface, making it hard and wear resistant.
The microstructure of the core remains unaltered.

Flame hardening
Flame hardening is done by means of an oxyacetylene torch.
Heating should be done rapidly by the torch and the surface quenched, before
appreciable heat transfer to the core occurs

Carburizing
The surface layers of low carbon steel are enriched with carbon up to 0.8-1.0%.
The source of carbon may be a solid medium, a liquid or a gas.
In all cases, the carbon enters the steel at the surface and diffuses into the steel as a
function of time at an elevated temperature.
Carburizing is done at 920-950 C.
In this fully austenitic state is essential.
If carburizing is done in the ferritic region, the carbon, with very limited solubility in ferrite,
tends to form massive cementite particles near the surface, making the subsequent heat
treatment difficult.

Cyaniding
Cyaniding is done in a liquid bath of NaCN, with the concentration varying between 30
and 97%.
The temperature used for cyaniding is lower than that for carburizing and is in the range
of 800-870 C.
The time of cyaniding is 1-3 hr to produce a case depth of 0.25 mm or less.
Nitriding

Nitriding is carried out in the ferritic region.

No phase change occurs after nitriding.
During nitriding, pure ammonia decomposes to yield nitrogen which enters the steel.
The solubility of nitrogen in ferrite is small. Most of the nitrogen that enters the
steel, forms hard nitrides (e.g., Fe3N).
The temperature of nitriding is 500-590°C.
The time for a case depth of 0.02 mm is about 2 hr.
In addition to providing outstanding wear resistance, the nitride layer increases the
resistance of carbon steel to corrosion in moist atmospheres.
 Introduction
Many important properties of material depends on
geometric arrangement of atoms and interactions
that exist among constituents atoms

Today we will focus on interaction between atoms

 Elastic deformation

111141. Initial 2. Small load 3. Unload

bonds
stretch

9 return to
initial

OF
Reversible
 Elastic deformation
Many materials exhibit linear elastic behaviour

Hooke’s law: When strains are small stress is proportional to

strain

E is the Young’s modulus: Measures the resistance of

material to elastic deformation
 Non linear elastic solids

Some materials exhibit non linear elastic behaviour

i
Data for Young’s Modulus

E = 103 to10-3 Gpa

Why do we get such a

big variation in modulus
values???

What is the origin of such

I

variation?

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

 Origin of elastic modulus

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.

There are several different types of bonds that form

between atoms. The type of bonding between atoms can
give rise to very different properties.
 Origin of elastic modulus
Two factors that really influences the elastic modulus

1) The nature of interatomic bonding that holds the atom

together

I
1) 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 in solids: Bond types
There are two different ways that atoms can be bound
together:

Primary bonds: these are strong bonds, There are three

H
types. These are ionic (transfer of valence electrons),
covalent (sharing of valence electrons), directional or metallic
bonds (delocalization of valence electrons). TH
H

Secondary bonds: these are weak bonds. There are two

types. These are van der Waals or hydrogen bonds (bonding
due to dipole interaction).

Note: In many materials there exists a mixture of different

bond types.
e.g. W, Mo, Ta, many ceramics and polymers
 Bonding forces and energies
Understanding of many important physical properties of
materials requires knowledge of interatomic forces that holds
the atoms together

Considering the interaction between two isolated atoms as they

are brought into close proximity from an infinite separation.

At larger distances, the interactions are negligible.

As the atoms approach, each exerts forces on the other.

– Attractive
– Repulsive

Ultimately, the outer electron shells of the two atoms begin to

overlap, and a strong repulsive force comes into play.
 Bonding forces and energies
Atoms in a solid feel an attractive force at larger atomic
separations and feel a repulsive force (when electron clouds
‘overlap too much’) at shorter separations. (At very large
separations there is no force felt).
The energy and the force (which is a gradient of the energy
field) display functional behaviour as below.

A B
U
Oooorn rm
Attractive Repulsive
E
A,B,m,n → constants
m>n
 Bond energy vs. distance curve
A B
U
rn rm
Repulsive
Potential energy (U) →

E0 = Bond energy
0
r →
E0

r0
Attractive

r0 Equilibrium separation

The shape of E vs r curve would be significantly dependent on the bond type

 Force vs. distance curve
dU
F
dr

The shape of these

curves changes for
different bond types and t
materials.

A number of material
properties are influenced
by this curve shape, eg,
the F vs. r curve for a
flexible material will be
shallower than one for a
more stiff material, at ro
 O dawn

Where F is the separating

force for two atoms
Henke
wrote
at stiff
E
S is the bond stiffness

Physical origin of Hook’s law

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

Properties from Bonding:
Elastic moduli

Materials Selection in Mechanical Design, 4th Edition ©

 Properties from Bonding:
Melting temperature
• Materials with large bonding energies usually have high
melting temperatures.

• There is a correlation between the magnitude of the bonding

energy and the state of materials strong
0 bond
– Solids have large bonding energies
– Liquids tend to have relatively lower energies
Properties from Bonding:
Melting temperature
Melting Temperature
 Properties from Bonding:
Coefficient of thermal expansion
• Coefficient of thermal expansion, a

coeff. thermal expansion

L
= (T2-T1)
Lo

• The expansion/contraction during heating/cooling of

materials is related to the shape of its U vs. r curve.

• A deep and narrow ‘trough,’ which typically occurs for

materials having large bonding energies, usually imply a low
coefficient of thermal expansion.
 Properties from Bonding:
Coefficient of thermal expansion
• If the curve is not symmetric, the average position in
which the atom sits shifts with temperature.
• Thermal expansion results in an increase in average
distance between atoms

HE
 Properties from Bonding:
Coefficient of thermal expansion

is larger if Eo is smaller
and very asymmetric.
Thermal Expansion: Comparison

•Thermal expansion
mismatch is a major
problem for design of
everything from
semiconductors to
bridges.
•Particularly an issue
in applications where
temperature changes
greatly (esp. engines).
E
 Summary
Many important material properties depends on the
nature and type of bonding: Elastic modulus, melting
temperature, coefficient of thermal expansion

Interatomic forces present in atomic bonding is

reflected in the potential energy curves which in
turn help predict many physical properties

We got an understanding on the data of these

properties

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

 Bond energy vs. distance curve

Show bond energy distance curve for Van der Waals, metallic,
covalent and ionic bond on the same plot