MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

Material science and Metallurgy

[COMMON TO III SEM MECHANICAL / I&P]
MATERIAL SCIENCE AND METALLURGY
MME-2104, MATERIALS SCIENCE & METALLURGY [ 3 0 0 3]
Total number of lecture
hours: 39
Introduction: Need, purpose, and importance of the subject, crystal
structures (cubic and HCP structures), computation of packing factor of cubic
and HCP structure, co-ordination number, Miller indices, crystal
imperfections-point & line defects. [06]

Solidification: Meaning, degree of super cooling, homogeneous and

heterogeneous nucleation, mechanism of solidification nucleation and
crystal growth, dendritic growth. [03]

Phases in solids: Phases-Single phase and multiphase, Gibbs phase rule,

solid solutions and types, intermediate phases, equilibrium diagrams(only
binary) construction and explanation of isomorphous and eutectic systems,
equilibrium and non-equilibrium cooling, invariant reactions (euctectic,
peritectic and eutectoid), lever rule and its application on isomorphous and
eutectic systems, equilibrium and non-equilibrium cooling of an alloy and
congruent melting alloy phase. [10]

Iron-Carbon systems: Introduction- allotropy and polymorphism, cooling

curve for pure iron, Fe-C equilibrium diagrams, study of iron-carbon system
in detail with emphasis on the invariant reactions. [06]

Heat treatment: Principle and objectives of heat treatments, isothermal

transformation diagram- construction and explanation, factors affecting
shape and position of isothermal transformation diagram, continuous
cooling curves on isothermal transformation diagram, processes like
annealing, normalizing, hardening, tempering and case hardening with heat
treatment cycle, Jominy hardness test. [10]

Ferrous-alloys: Composition, properties and applications of alloy steels

(plain carbon steels, stainless steels, free machining steels, HSS and maraging
steels, cast irons-grey, white and malleable cast irons.
Non-ferrous alloys: Types and explanation of brasses, bronzes and Al-Cu
alloys. [04]

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MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

MME-2104, MATERIALS SCIENCE & METALLURGY [ 3 0 0 3]

1. K.M Gupta (2012) Material science, Metallurgy and Engineering

Materials, Umesh Publication, New Delhi.
2. Lakhtin Yu., (1985). "Engineering Physical metallurgy and heat
treatment, MIR Publishers, Moscow
3. William D. Callister (2007), Materials Science and Engineering ,
John Wiley & Sons
4. Avner S.H. (2004), Introduction to Physical Metallurgy ", 3rd
Edition, McGraw Hill.New Delhi
5. Arzamasov, (1989) " Material Science ", MIR Publishers,Moscow.
6. Raghavan V,(1989) Material Science and Engineering, 4th
Edition, Prentice Hall of India, Delhi

Chapter 1: Introduction

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

Materials in the study of material science are classified as that part of matter which is useful
for an engineer in the practice of his profession. Usually materials refer to solids. The word
science refers to physical science, in particular to physics and chemistry. The engineering
usefulness of the matter is always kept in mind in material science. Therefore material
science refers to interdisciplinary study of matter.
Material Science is an applied science which studies correlations between the compositions,
structures and properties of materials. It concerns itself with the nature and behavior of all
engineering materials.
Metallurgy is the science and technology of metals. Metallurgy deals exclusively with the
study of metals and alloys, their occurrences and behavior. It is divided into two large
groups:
1. Process or Extractive Metallurgy: The science of obtaining metals from ores, including
mining, concentration, extraction and refining metals and alloys.
2. Physical Metallurgy: The science concerned with general relationship between the
composition, structure and properties of metals & alloys as well as changes brought
about by thermal, chemical and mechanical treatment.
Materials which find application in engineering can be broadly classified into:
(i) Metals and Alloys: These materials are characterized by their high thermal and electrical
conductivity. They also possess good strength and ductility. They are usually opaque and
may be polished to a high shine.
Examples: Cast Irons, Steels, Aliminium, Silver, Gold, Brasses, Bronzes, etc.
(ii) Ceramics and Glasses: Ceramics are compounds like certain metallic and non-metallic
oxides, e.g., glass. These materials are hard and brittle. They are good insulators of
electricity and heat.
Examples: MgO, ZnO, SiC, Silica, Concrete, Cement, Rubber, etc.
(iii) Polymers: These are organic compounds like plastics. They have low density and are
good insulators of electricity.
Examples: Plastics, Polyethylene, Poly Vinyl Chloride (PVC), Nylon, Cotton, Rubber, etc.
Each of the above group of materials has their own set of properties. Some of the most
important properties of engineering materials are:
Mechanical Properties: Strength, hardness, ductility, malleability, toughness, resilience,
creep, fatigue, etc.
Physical properties: Shape, size, density, porosity, colour, etc.
Chemical properties: Acidity, alkalinity, composition, corrosion resistance, atomic number,
molecular weight, etc.
Electrical properties: Electrical conductivity, resistivity, dielectric constant, dielectric
strength, power factor, etc.
Thermal properties: Specific heat, refractoriness, thermal conductivity, etc.
Aesthetic properties: Feel, texture, appearance, shine, etc.
Optical properties: Refractive index, absorptivity, etc.
The above properties of materials guide us in selection of materials for specific applications.
To give a few examples, an aircraft structure has to be built with materials having low density
but high strength (i.e., high strength to weight ratio); a steel melting furnace has be lined

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

with refractory materials to withstand high temperatures; buildings and structures have to
be built with materials having high compressive strength to withstand heavy loads; springs
and machine beds are made of materials which are resilient in order to absorb shocks and
vibrations; and so on.
Decisions regarding engineering materials are an essential part of all branches of
engineering practice. Hence, the right choice of the material for the given requirement, the
proper use of that material and even the production of that new material are all the direct
responsibility of the engineer.
Criteria in selection of materials:
Selection of engineering materials for engineering applications depends upon factors such
as:
Properties in relation to the intended use
Availability of materials
Economy
Properties in relation to the intended use: Before selecting a material for any particular use,
it is necessary to assess the properties of the materials required to make it suitable for that
purpose. Depending on the properties required an engineer will have to select any existing
materials, or in special cases new materials will have to be developed. For example,
mechanical strength is important if significant loads are to be supported; thermal
conductivity is important if high temperatures are to be encountered, etc.
Availability of materials: In many cases availability of the materials causes a problem. After
studying property requirements an engineer may suggest a material which meets the
requirement. But if the material is not easily available, then the engineer sometimes may
even have to select a material having inferior properties roughly equal to the ideal one.
Economy: Economy plays a vital role in selecting materials. A cheap material easy to
fabricate and longer service life is always preferred.
However, many a time, engineer will have to strike a compromise between material cost,
fabrication cost and service life attainable.

crystal structures:In general, solids may be classified as crystalline, amorphous or a

combination of the two. The metals and alloys, which form the majority of the materials
under consideration from an engineers perspective, are crystalline solids. So a science
known as Crystallography need to be studied in which one can study the geometric form
and physical properties of crystalline solids by using x-rays, electron beams, neutron beams,
etc. The relative arrangement of atoms, their coordination numbers, packing efficiencies,
relationship between the lattice parameters, identification of atomic planes and directions

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

by Miller indices, etc. will be dealt with in this chapter. The usual occurrence of crystal
imperfections is also included in this chapter.
Types of solids:
The principal forms of solids are (1) Crystalline solids & (2) Amorphous solids.
Solids in which the arrangement of atoms in three dimensions is regular and repetitive are
known as crystalline solids. Solids in which the arrangement of atoms in three dimensions is
not regular and not repetitive and the pattern breaks at different planes are known as non-
crystalline or amorphous solids.A comparison between the features of crystalline &
amorphous solids:

Crystalline solids Amorphous solids

The basic structural unit is a crystal/grain.
Number of crystals come together to form a
crystalline solid.
Each crystal contains number of repetitive
blocks called unit cells which are neatly
arranged in a symmetrical order.
Density of crystalline solid is generally high.
They have a stable structure.
These melt at a definite melting
temperature.
e.g. metals, alloys, NaCl and many oxides
The basic structural unit is a molecule.
Chains of molecules come together to form
an amorphous solid.
Chains of molecules are random within the
solid and occur in no particular order. They
are irregular and lack symmetry.
Density of amorphous solid is generally high.
Their structure is unstable.
These melt over a range of temperature.
e.g. glass, polymer, elastomer, etc.

Although all materials can be classified as crystalline or amorphous there are certain
materials which can occur as both. For example, Silicate can occur as crystalline solid
(quartz) or as a non-crystalline solid (silicate glass). It is also true that many materials exist as
combinations of both crystalline and amorphous solids. They have short range order and are
termed as aggregates.
Space lattice and lattice points:
A space lattice may be defined as an infinite array of points in three dimensions in which
every point has surroundings or Unit cell Lattice points
environment identical to that of every point
in the array. In case of a crystalline solid, it
is the three dimensional network of
imaginary lines connecting the atoms. The
points of intersection of these lines are
lattice points about which the atoms or ions
making the solid are located.
Crystalline solids:
In metals during solidification itself, the
atoms arrange themselves into an ordered,
repeating three dimensional pattern. Such

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Fig. 2.1 Space lattice, unit cell & lattice
points
 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

structures are called crystals. In other words a crystal is said to have formed, whenever
atoms arrange themselves in an orderly three dimensional pattern, i.e., rows of atoms can
be identified running in three perpendicular directions as shown in fig. 2.1. The axes of this
lattice are the three lines at right angles to one another. The lines that make up the lattice
are parallel to the axes and are equally spaced along them. The atoms of a simple cubic
crystal structure occupy the lattice points which are the intersections of the lines. These
atoms oscillate about fixed locations and are in dynamic equilibrium rather than being in
statically fixed positions.
Examples of materials whose basic structural units are crystals include all metals, salts like
NaCl, many oxides and certain plastics. Crystals are usually thought of as being composed of
atoms, although in metallic and ionic crystals, the atoms have actually been transformed
into ions through giving up or acquiring electrons in the process of forming bonds. In certain
cases, groups of atoms (called molecules) are involved in making up of the crystal which is
often called molecular crystals.
Z
Unit Cell:
The smallest unit of the space lattice (crystal) which R
exhibits full symmetry of the crystal is called a unit
c
cell. A unit cell is highlighted in fig. 2.1. The crystal

can be built up by repetition of the unit cell in three O b Q
Y
dimensions. Generally the shape of a unit cell is
a
parallelepiped. P
Lattice Parameters or Lattice constants:
Crystallographic Axes: The three axes OP, OQ & OR X Fig. 2.2 Unit cell lattice
passing through the three adjacent sides of the unit parameters
cell are called crystallographic axes.
Interfacial angles: The angles between the three crystallographic axes of the unit cell are
called interfacial angles.
QOR = , POR = & POQ =
Primitives or characteristic intercepts: The intercepts or edges a, b & c of the unit cell
along the crystallographic axes which define the dimensions of the unit cell are called
primitives or characteristic intercepts.
The characteristic intercepts & interfacial angles constitute the lattice parameters of the
unit cell. They are also called the geometrical constants of a given metal or alloy.
If we know the intercepts a, b & c and also the interfacial angles , & , we know both
the actual size and form of the unit cell. If we know only the interfacial angles and if we
dont know the actual values of the intercepts but only their ratios, we know only the form
of the unit cell but not its actual size.

Body centered cubic structure (BCC):

In BCC lattice, atoms are located at the eight corners of the cubic cell
and one atom at the geometric center of the volume of the cube.

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Fig. 2.4 BCC unit cell

 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

Thus a total of 9 atoms are present. If the atoms are represented as spheres, the center
atom touches each corner atom, but these corner atoms do not touch each other. Each
corner atom is shared by eight adjacent cubes whereas, the atom at the center cannot be
shared by adjacent cubes. Hence, the contribution of each corner atom per unit cell is 1/8 th
(one-eighth) and contribution of each body centered atom per unit cell is 1 (one). Therefore,
the effective number of atoms per unit cell may be calculated as follows:
Contribution of 8 corner atoms/unit cell = 8 1/8 =1
Contribution of 1 body centered atom/unit cell =11 =1
Effective no. of atoms/unit cell of BCC is 2 atoms
Examples of metals that crystallize as BCC crystal structure are: Cr, -Fe, -Fe, Mo, Ve, Na, Li,
Ba, W, -brass, etc.
Face centered cubic structure (FCC):
This structure is also sometimes known as Cubic Close Packed (CCP)
structure. In FCC lattice, atoms are located at the eight corners of the
cubic cell and six atoms are located at the face centers of six faces of the
cubic cell. But, none of the atoms are located at the body center of the
cubic cell. If the atoms are represented as spheres, each face centered
atom touches its adjacent corner atoms. The eight corner atoms do not
Fig. 2.5 FCC unit cell
touch each other. Each corner atom is shared by eight adjacent cubes.
Hence, the contribution of each corner atom per unit cell is 1/8 th (one-eighth). Each face
centered atom is shared by two adjacent cubic cells. Hence, the contribution of each face
centered atom per unit cell is (half). Therefore, the effective number of atoms per unit
cell may be calculated as follows:
Contribution of 8 corner atoms/unit cell = 8 1/8 =1
Contribution of 6 face centered atom/unit cell = 6 1/2 =3
Effective no. of atoms/unit cell of FCC is 4 atoms

This indicates that FCC structure is more densely packed than BCC structure. Examples of
metals that crystallize as FCC crystal structure are: Al, Ni, Cu, Au, Ag, Pb, Pt, -Fe, -Sn, -
brass etc.
Hexagonal close packed (HCP) structure OR Close packed hexagonal (CPH) structure:
In HCP structure, the basic unit cell is a hexagonal prism. One atom is present at each corner
of the hexagonal prism, i.e., 12 corner atoms. At the center of each hexagonal basal plane a
face centered atom is present, i.e., 2 face centered atoms. In addition to these, there are 3
atoms lying inside the hexagonal unit cell, in the form of an equilateral triangle mid way
between the two basal planes. If the basal planes are divided into six equilateral triangles,
the three additional atoms are nested in the center of alternate equilateral triangle. Thus, a
total of 17 atoms are present. Each face centered atoms of the basal planes touch the
adjacent corner atoms. All the 3 atoms at the center of the hexagonal unit cell touch the
face centered atoms of the two basal planes but they do not touch all the corner atoms.

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

The parallel repetition of this hexagonal unit cell along three perpendicular directions will
not built up the entire lattice. The true unit cell of the hexagonal lattice is the portion
PQRSKLMN as shown in fig. 2.6(a). The hexagonal prism therefore contains two whole true
unit cells and two halves of the true unit cells.
Each corner atom of the basal plane is shared by six neighbouring hexagonal unit cells (3
below the corner atom + 3 above the corner atom). Therefore, the contribution of each
corner atom per hexagonal unit cell is 1/6th atom. Each face centered atom of the basal
plane is shared by two hexagonal unit cells (1 below the face centered atom + 1 above the
face centered atom). Therefore, the contribution of each face centered atom of the basal
plane per hexagonal unit cell is 1/2 atom. The three internal atoms contribute totally three
atoms per hexagonal unit cell. Therefore, the effective number of atoms per unit cell may
be calculated as follows:
Contribution of 12 corner atoms/unit cell = 12 1/6 =2
Contribution of 2 face centered atom/unit cell = 2 1/2 =1
Contribution of 3 internal atoms/unit cell =31 =3
Effective no. of atoms/unit cell of HCP is 6 atoms

This indicates that HCP structure is more densely packed than BCC structure. Examples of
metals that crystallize as HCP crystal structure are: Mg, Zn, Be, Cd, Co, graphite, etc.
The height c of the HCP unit cell can be found by calculating the distance between the face
centered atoms of the basal planes. It may be observed in fig 2.6(a) that atoms A, B & C
form the intermediate plane of atoms. The triangle formed by A, B & C is an equilateral
triangle.

Q R Q
S C
P C a C c/2
a/2
A c O D O
B a/2
B A
30o
c/2 A B
a M L
L Fig. 2.6(c) Intermediate
a plane ABC
Fig. 2.6(b) Intermediate plane ABC
K N forming tetrahedron with
face centered atoms Q & L
Fig. 2.6(a) HCP unit
cell
Triangle ABC when connected to atoms Q & L forms two tetrahedrons, one above ABC and
another below it; triangle ABC being common to the two tetrahedrons. Sum of the axial
heights of the tetrahedrons (OQ + OL) gives the height c of the HCP unit cell.
Let us calculate the height OQ. Consider the intermediate plane ABC shown in fig. 2.6(c).
Triangle AOD is right-angled at D. It may be observed that AD = a/2, DAO = 30o.

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

a
AD
cos 30 =
0
= 2
AO AO
a a
i.e., AO = 2 = 2 = a
cos 300 3 3
2

Now, consider the triangle AOQ right-angled at O as shown in fig. 2.6(b). From Pythagoras
theorem,
(AQ)2 = (AO)2 + (OQ)2
i.e., (OQ)2 = (AQ)2 - (AO)2
2 2
c a
i.e., = a 2 -
2 3
c2 1 2 2
= a2
1 - = a
4 3 3
8
c = a = 1.633a
3
Expressions for calculating the Effective number of atoms per unit cell
n n n
For cubic unit cell (BCC & FCC), N Cubic = C + F + B
8 2 1
n n n
For hexagonal unit cell (HCP), N Hex = C + F + I
6 2 1
where, NCubic is the effective number of atoms per cubic unit cell
NHex is the effective number of atoms per hexagonal unit cell
NC is the number of corner atoms
nF is the number of face centered atoms
nB is the number of body centered atoms in cubic unit cells
nI is the number of internal atoms in hexagonal unit cells
Coordination number:
The number of nearest and equidistant neighbouring atoms that a given atom in a crystal
lattice structure has is known as the coordination number. Coordination number determines
the packing of a crystal lattice, i.e., the volume occupied by the atoms which are considered
as rigid spheres. Higher the coordination number, more closely packed the atoms are.
Coordination number for BCC unit cell:
a 3
In BCC unit cell the smallest distance between atoms is . Any
2
given atom in the unit cell has eight neighbouring atoms spaced at
this distance, and therefore the coordination number is 8.

Fig. 2.7 Coordination no.

for BCC unit cell

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

Coordination number for FCC unit cell:

a 2
In FCC unit cell the smallest distance between atoms is .
2
Any given atom in the unit cell has twelve neighbouring atoms
spaced at this distance, and therefore the coordination number
is 12.
Fig. 2.8 Coordination number
for FCC unit cell

Coordination number for HCP unit cell:

In HCP unit cell the smallest distance between atoms is
a. Any given atom in the unit cell has twelve
neighbouring atoms spaced at this distance (6 corner
atoms + 3 atoms above + 3 atoms below), and therefore
the coordination number is 12.

Fig 2.9 Coordination number for

HCP unit cell

Atomic packing factor(APF) or Packing efficiency (h):

It is defined as the percentage amount of volume inside a unit cell that has been occupied
by the effective number of atoms of that unit cell. It is given by the percentage ratio of total
volume of the effective number of atoms per unit cell to the volume of the unit cell.
Volume of Effective number of atoms per unit cell
APF or h = 100
Volume of the unit cell
N Volume of a spherical atom
= 100
Volume of the unit cell
4p r 3
N
= 3 100
V
where, N = Effective number of atoms per unit cell
r = Radius of the spherical atom
V = Volume of the unit cell r
The APF gives a measure of the closeness of
packing (or density of packing) of atoms inside the r
a
unit cell. r
Atomic packing factor for FCC unit cell:
r

Department of Mechanical & Manufacturing Engineering,

a MIT, Manipal 10

Fig 2.10 Atomic arrangement on a face of the

FCC unit cell
 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

The relationship between the lattice constant a and the atomic radius r can be found by
considering the atomic arrangement on one face of a FCC unit cell as shown in fig 2.10.
a2 + a2 = (4r)2
2a2 = 16r2

(
a = 2 2 r = ) 4r
2
Effective number of atoms, NFCC = 4 per unit cell
4p r 3
N FCC
3
h FCC = 100
V
4p r 3
N FCC
3 100
= 3
a

4p r 3
4
3 16p r 3 2 2
= 3
100 = 3 100
4r 3 64 r

2

= 74.04%

Atomic packing factor for BCC unit cell:

The relationship between the
lattice constant a and the
atomic radius r can be found
Z
by considering the atomic
arrangement on one solid r
diagonal of a BCC unit cell as
r a
shown in fig 2.11. Triangle XPQ
is right-angled at P.
r
a2 + a2 = (XY)2 Y
2a2 = (XY)2 r
a
Triangle XYZ is right-angled at Y X P
with hypotenuse XZ = 4r
(XY)2 + (YZ)2 = (XZ)2
i.e., 2a2 + a2 = (4r)2
a
4 r
3a2 = 16r2 a= Fig 2.11 Atomic arrangement on a solid diagonal of the BCC unit cell
3
Effective number of atoms, NBCC = 2 per unit cell

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

4p r 3
N BCC
h BCC = 3 100
V
4p r 3
N BCC
= 3 100
a3
4p r 3
2
3 100 = 8p r 3 3 100
3
= 3
4r 3 64 r 3

3
= 68.02%

Atomic packing factor for HCP unit cell:

R
The volume of the hexagonal unit cell,
V = Area of the hexagonal basal plane height
a
The hexagonal basal plane can be divided into six equilateral h
triangles as shown in fig 2.12. Then, area of the hexagonal
basal plane = 6 area of triangle PQR P a Q
a 3 Fig. 2.12 Area of HCP basal plane
Altitude of the triangle PQR, h = tan 60o a/2 =
2

a 3 a2 3
Area of triangle PQR = a h = a =
2 4

a 2 3 3 3a 2
Area of the hexagonal basal plane = 6 =
4 2

Volume of the hexagonal unit cell, V = Area of the hexagonal basal plane height
8
Height of HCP unit cell, c = a = 1.633a
3
3 3a 2 8
V= a = 3 2a 3
2 3
It may be observed that, a = 2r

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

4p r 3
N HCP
h HCP = 3 100
V
4p r 3
N HCP
= 3 100
3 2a 3
4p r 3
6
3 24p r 3 1
= 100 = 100
3 2 (2r )3 3 24 2r 3
= 74.05%
Crystallographic Planes and Directions Miller Indices:
Miller indices were introduced in 1839 by the British mineralogist William Hallowes Miller.
The method was also historically known as the Millerian system, and the indices as
Millerian, although this is now rare. It is necessary to be able to define planes and directions
within crystalline solids. A labeling system that uses combinations of 3 integers or indices
to define crystallographic directions and planes is used. This system is known as the Miller
System. It has some similarities with conventional vector systems especially for simple cubic
systems. For more complex crystal structures (such as found in geology and
magnetic/electronic devices) then the Miller system becomes very useful indeed.
Crystallographic Directions:
A crystallographic direction is basically a vector between two points in the crystal. Any
direction can be defined by following a simple procedure.
Step 1: Position the vector so that it is in convenient position within your chosen coordinate
system. It is convenient to position the vector so as to pass through the origin of the
coordinate system. Any vector may be translated throughout the crystal lattice by moving
parallel to itself.
Step 2: Find the projection of the vector onto each of the three axes in terms of the unit cell
dimensions. The projection on the axes are nothing but the steps to be moved parallel to X,
Y & Z axes starting from the origin (start point) of the vector to reach its end point. These
projections on the three axes are expressed in terms of the unit cell dimensions.
Step 3: To get the Miller Index we express the vector as a set of whole numbers (by
multiplying or dividing throughout by a common number), and enclose in square brackets
[uvw].
Notation of crystallographic directions:
There are certain conventions used when expressing Crystallographic directions using the
Miller system. Directions are enclosed in square brackets. Negative directions are
represented by putting a bar above the appropriate integer, e.g. [111] is the opposite

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

direction to [111]. The choice of negative directions is arbitrary but it is essential to be

consistent.
Example problem on Miller indices for crystallographic direction:
Find the Miller indices for the vector shown in the unit cell shown in fig. 2.13 where, a=b=c.

Fig. 2.13 Example problem on direction indices

Step 1: The given vector is passing through the origin of the coordinate system.
Step 2: Take the intercepts of the vector on the X, Y & Z axes.
Intercept on X axis Intercept on Y axis Intercept on Z axis
a/2 b 0

Step 3: Since a=b=c, the intercepts will be: , 1 & 0. Multiplying throughout by 2 and
enclosing within square brackets we get, [120] to be the direction indices of the given
vector.

A few more examples to determine the directional indices are shown in the fig. 2.14.

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Fig. 2.14 Examples of some crystallographic directions

 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

Families of Equivalent Directions:

Due to the symmetry of crystal structures the spacing and arrangement of atoms may be
the same in several directions. These are known as equivalent directions. A group of
equivalent directions is known as a family of directions. Families of directions are written in
angular brackets. These families of directions will become important when we consider slip
directions.
For example consider the FCC unit cell. The arrangement of atoms lying diagonally across a
face is always the same. So, all the directions running diagonally across a face are
equivalent. You could list each direction in turn and see they all have a similar form.
<110> = [110], [110] , [101], [101] , [011], [011]
<100> = [100], [100] , [010], [010] , [001], [001]
Crystallographic Planes:
Crystallographic planes can be represented in a similar way to crystallographic directions by
using three indices. As when finding a direction you must ensure the plane is in a convenient
position in your co-ordinate system. You then need to follow these steps:
Step 1: Position the plane so that it is in convenient position within your chosen coordinate
system. It is convenient to position the plane so that it will not pass through the origin of the
coordinate system. If the plane is passing through the origin, shift the origin to the adjacent
unit cell or consider an identical plane in the adjacent unit cell. Any plane may be translated
throughout the crystal lattice by moving parallel to itself.
Step 2: Find the points of intersection of the plane and the axes in terms of the unit cell
dimensions. If a plane is parallel to an axis its intercept is considered infinite.
Step 3: Take the reciprocals of the intercepts.
Step 4: Convert to smallest possible whole numbers (by multiplying or dividing throughout
by a common number) and enclose the indices in round brackets (parenthesis).
Notation of crystallographic planes:
There are certain conventions used when expressing Crystallographic planes using the Miller
system. Planes are enclosed in round brackets (parenthesis). Negative directions are
represented by putting a bar above the appropriate integer, e.g. (111) is the plane opposite
to the plane (111). The choice of negative planes is arbitrary but it is essential to be
consistent.
Example problem on Miller indices for crystallographic plane:

Find the Miller indices for the plane shown in fig. 2.15(a) where, a=b=c.

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Fig. 2.15(a) Example problem on plane indices Fig. 2.15(b) Example problem on plane indices
 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

Step 1: The given plane passes through the origin. Hence, the origin is shifted to the
adjacent unit cell as shown in fig. 2.15(b).
Step 2: Find the intercepts of the plane with the X, Y & Z axes:

Intercept on X axis Intercept on Y axis Intercept on Z axis

-b c/2
-1 1/2

Step 3: Take the reciprocals of the intercepts we get: 0, -1 & 2

Step 4: Enclose the indices in round brackets (parenthesis) we get (012 ) to be Miller indices
of the given plane.
A few more examples of the Miller indices for some planes are shown in fig. 2.16.

Fig. 2.16 Examples of some crystallographic planes

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

Families of Equivalent planes:

Due to the symmetry of crystal structures the spacing and arrangement of atoms may be
the same in several planes. These are known as equivalent planes, and a group of
equivalent planes are known as a family of planes. Families of planes are written in curly
brackets. For example think about a FCC crystal structure. The arrangement of atoms on
each face is the same, so the planes describing each face are equivalent. In this case they
are all part of the {001} family of planes.
{001} = (001), (010), (100), (001) , (010 ) , (100 )
Close-packed planes are tightly packed planes of atoms. They are very important in
understanding the behaviour of dislocations, which you will learn about in the next chapter.
In FCC unit cells the {111} planes are all close packed.
{111} = (111), (111) , (111) , (111) , (111) , (111)
In BCC unit cells there are no fully close-packed planes, although there are close packed
directions on the {110} planes.
Relationship between crystallographic planes & directions:
Conventionally, a plane in analytical geometry is expressed by a vector normal to the plane
under consideration. It may be observed from figure 2.15, that the miller indices for a plane
and a vector normal to it are same. For example, the miller indices for a plane perpendicular
to X axis is (100) and the direction indices of a vector normal to it is [100]. Similarly, the
miller indices for a plane perpendicular to Z axis is (001) and the direction indices of a vector
normal to it is [001]. In general, if (uvw) is the miller indices of a plane, then the direction
indices of a vector normal to it is [uvw].

Fig. 2.17 Comparison of crystallographic

planes and directions

Crystal imperfections:

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

The structure of real crystals differs from that of ideal ones. Real crystals always have certain
defects. Hence arrangement of atoms in the volume of the crystal is not perfectly regular.
Crystal defects are known as crystal imperfections.
Types of defects:
The main types of crystal defects (imperfections) are:
(1) Point Imperfections (or Zero Dimensional Defects)
(2) Line or Linear Imperfections (or One Dimensional Defects)
(3) Surface or Plane Imperfections (or Two Dimensional Defects)
(4) Volume Imperfections (or Three Dimensional Defects)
The first three types of imperfections may be regarded as microscopic defects whereas the
fourth type may be regarded as a macroscopic defect. A microscopic defect is one which
requires high magnification microscopes to view them whereas a macroscopic defect may be
observed using low magnification microscopes.
(1) Point Imperfections:
A point defect is said to be present in a crystal if a regular atom in the crystal lattice is absent
or an extra atom (an impurity atom or an atom from the same crystal) is present in the
regular crystal lattice structure.
Point defects exist during the original crystallization itself.
Point defects may be formed due to:
Irradiation with high energy particles (like neutron irradiation in a nuclear reactor)
Plastic deformation process
Quenching
By increasing the temperature, that increases the amplitude of vibration of atoms,
thereby increasing the probability of such defects.
Point defects include:
1) Vacancy Defect lattice points at which atoms are absent.
2) Interstitial Defect presence of extra atom in between regular lattice points.
3) Substitutional/Impurity-replacement of regular atom by a substitutional or impurity
(foreign) atom.
4) Ionic Defects- presence or absence of ions causing electrical/magnetic disturbances
i) Schottky defect
ii) Frankel defect
(A) Vacancy Defect: Vacancies are formed by atoms
leaving their regular positions at the lattice points and
Absence of atoms

jumping to the surface of the crystal or occupying the

evacuated place of an atom at the crystal surface or, less
frequently, by atoms jumping into an interstitial position.

Thermal vacancies Usually, some atoms in the crystals

will have their kinetic energies greater than the mean
kinetic energy value of other atoms which is characteristic
Fig. 2.18 Vacancy Defect

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

of temperature. Such atoms, located nearer to the surface of the crystal, jump to the surface
of the crystal. Their places may be occupied by other atoms, farther from the surface, whose
lattice points are freed. This is how thermal vacancies are created.
Thermal vacancies are formed at the free surfaces of crystals, grain boundaries, blow holes
and cracks.
The number of thermal vacancies at temperatures nearer to the melting point may reach
one percent of the total number of atoms in the crystals.
A crystal which is in thermodynamic equilibrium at a given temperature, has an equilibrium
concentration of thermal defects and a definite distribution of them according to size.
The number of vacancies at equilibrium of a given temperature can be determined from the
equation:
E
-
n d = Ne KT
where,
nd = The number of defects
N = Total number of atomic sites /m3
E = Energy of activation necessary to form the defect
K = Boltzmann constant
T = Absolute temperature
On cooling, the vacancy concentration is lowered by diffusion of vacancies to grain
boundaries or dislocations.

(B) Interstitial Defect: Interstitial defects are formed by jumping of an atom into an
interstitial position of a regular crystal lattice. This defect
may also be created due to the insertion of atoms of
foreign material in the regular crystal lattice of a crystal.
Presence of extra atom

In the closely packed lattices, typical of most metals, the

energy required to form interstitial atoms is several times
greater than that required to form thermal vacancies. For
this reason, the interstitial atoms are rare in metals and
thermal vacancies are the main point defects in such
metals.

Schottkys Defect:
of displaced

A vacancy created due to the absence of a pair of ions

(cation & anion) in an ionic crystal is called as Schottkys
Cation

Cations
Anion

Anions
MissingCation

Cation

Defect. The vacancy of the missing pair of ions maintains

position

Cations Anions
electrical neutrality in the crystal.
Missing
Displaced

Fig. 2.19 Interstitial Defect

Initial

Frenkels Defect:

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Fig. 2.20 Schottys Defect in an
ionic crystal
Fig. 2.21 Frenkels Defect in an
ionic crystal
 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

A Frenkels defect is formed when an ion is displaced from its regular location to an
interstitial location. Usually, the cations being the smaller sized ions, are the ones which are
displaced to the interstitial position. The electrical neutrality of the crystal is not effected
due to the presence of this defect.

(C) Substitutional/Impurity defect:

If a foreign atom substitutes a parent atom in the regular

Substitutional/
Impurity atom
lattice structure, such a defect is called as substitutional
defect.

Effects of points defects:

Point defects cause local distortion of the crystal Fig. 2.22 Substitutional/Impurity
lattice.
Displacement (relaxation) around a vacancy occurs only in the first two layers of
neighbouring atoms, and is only a fraction of the inter atomic distance.
The displacement of the neighbouring atoms around an interstitial atom in close
packed lattices is considerably greater than that around a vacancy.
Schottky and Frenkel point defects influence certain physical properties of metals
(like electrical conductivity, magnetic properties, etc.) as well as phase
transformations in metals and alloys.
(2) Linear Imperfections or Line Defects or Dislocations:
The Line/Linear defects in crystalline solids that result from lattice distortion centered about
a line is called dislocation.
A dislocation can be considered as a localized linear distortion of the atomic arrangement
caused by the displacement of one group of atoms from an adjacent group.
These dislocations are naturally occurring during the crystal formation itself. Dislocations
play an important role in the mechanical behaviour of materials.
Dislocations are of two types:
(A) Edge Dislocation
(B) Screw Dislocation
Edge Dislocation:
An edge dislocation
Extra inatoms
half plane of its cross section is essentially a localized distortion of the crystal
lattice due to the presence of an extra half plane of atoms.

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Fig. 2.23(a) Cross sectional view of Edge Dislocation Line
an Edge Dislocation
Fig. 2.23(b) 3D view of an Edge Dislocation
 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

From the figure, we can see that above the edge dislocation line, an extra half plane of
atoms is present. The length of the half plane of atoms (along the edge dislocation line) may
extend over several interatomic distances. Above the line of dislocation the atoms of the
crystal are closer together, below they are farther apart. A dislocation produces compressive
stress below the dislocation and tensile stress above it.
According to convention, a dislocation is said to be positive if the extra half plane is in the
upper part of the crystal and is denoted by the symbol (inverted T). It is said to be
negative, if it is in the lower part of the crystal and is denoted by a symbol T. The difference
between positive and negative dislocations is purely arbitrary. A turning a crystal up-side-
down, a positive dislocation is converted into a negative one and vice-versa.
Screw Dislocation:
It is also the localized distortion
of the crystal lattice such that
the atomic planes are bent into
a helical surface about a central
distortion line. If we go around
the centre of distortion so
produced, we move parallel to
the line of distortion by one
inter atomic distance. It is
similar to a screw moving
forward or backward by a Screw Dislocation Line
distance equal to its pitch when
turned through 360o. This centre Fig. 2.24 3D view of a Screw Dislocation
line of distortion is known as
Screw Dislocation Line.

Burgers Circuit & Burgers Vector:

The direction and magnitude of permanent deformation (by slip) in any dislocation is given
by the Burgers Vector. By drawing the Burgers Circuit around the region of a dislocation, the

Burgers Vector ( b ) (magnitude & direction) can be determined.
The Burgers Circuit can be formed by taking equal number of inter-atomic translations
parallel to each other around the region of a dislocation. The Burgers Circuit is in the form
of a square or a rectangle. It never closes about a region of dislocation. The extra number of
inter-atomic distances required to be moved so as to close the Burgers Circuit determines
the Burgers Vector. If the Burgers Circuit is drawn around a region of the crystal which is
free from any dislocation, obviously the circuit closes indicating the absence of any
dislocation.

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

(A) Burgers Vector for an Edge Dislocation:

Extra half plane of atoms

E b A B

Figure 2.25 shows the Burgers circuit drawn around a region of dislocation free crystal. The
number of horizontal and vertical interatomic movements on the opposite arms of the
Burgers circuit are equal. Hence, the circuit closes perfectly,
D which indicates that C the region
of the crystal where the circuit is
drawn is Burgers
Fig. 2.25 free Circuit
fromaroundanya Fig. 2.26(a) Burgers Circuit around an
dislocation.
crystal region free of any dislocation Edge Dislocation
Figure 2.26(a) shows the Burgers
circuit A-B-C-D-E drawn around a
E b
region of edge dislocation. Trying A
to maintain equal number of B
horizontal and vertical interatomic
movements on the opposite arms D
of the Burgers circuit, results in C
the non-closure of the circuit. This
indicates that the region of the Edge Dislocation Line
crystal where the circuit is drawn
Fig. 2.26(b) Burgers Circuit around an Edge Dislocation
possesses a dislocation. An extra
inter atomic movement E-A, directed from E to A is required to complete the circuit. The
length of EA gives the magnitude of Burgers Vector and the direction from E to A gives the

direction of the Burgers Vector b .
It can be clearly noted in figure 2.26(b) that the Burgers Vector b is perpendicular to the
edge dislocation line.

(B) Burgers Vector for a Screw Dislocation:

Figure 2.26(c) shows the Burgers circuit A-B-C-D-E-F drawn around a region of screw
dislocation. The circuit is incomplete in between C & D. Hence, there is dislocation at the

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 MME-2104 (Material Science and Metallurgy) Chatpter-01, Introduction

region where the circuit is drawn. It can be clearly noted that for the Burgers Circuit to
close, a Burgers Vector from C to D must be drawn. Also it can be noted that the Burgers

Vector b is parallel to the screw dislocation line.

A
B

Fig. 2.27 shows the photographic view of various defects seen in the crystal lattice structure
C
of a metal.
F D

E
Screw Dislocation Line

Fig. 2.26(c) Burgers Circuit around a Screw Dislocation

Fig. 2.27 Photograph of various defects seen in the lattice structure of a metal

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