1

PROPERTIES OF
MATERIALS
Handout 2
H.T.S.JAYALATH
DIVISION OF POLYMER AND CHEMICAL
ENGINEERING TECHNOLOGY
2

STRUCTURE OF
MATERIALS
STATES OF MATTER
There are 3 states of matter; solid, liquid, gas
Their properties can be classified as follows:

Property Solid Liquid Gas

1 Volume Definite Volume Definite Volume No fixed volume
2 Shape Fixed shape Take the shape of Take the shape of
the container the container and
every part fills of it

3 High High – Fairly high as Low

Ex: Cu = 8.95 g/cm3 solids Ex: 0.00009 g/cm3
Ex: H2O = 1 g/cm3

4 Compressibility (Change in volume Low Compressibility Comparatively Low, Very High

on compression) But higher than solid Compressibility
(Large change)
From volume and shape,
It is convinced that the particles in the solid are at a fixed positions. While the particles of liquid
and gasses move freely.
From density and compressibility,
It is convinced that the particles are closely packed. In the case of liquid, particles are closely
packed but not as closely as solid. In gas, particles are far apart,

From the above physical properties, it is clear that solid particles are closely packed. In the case
of liquid particles are closely packed but not as closely as solid.
• Based on the arrangement of atoms or molecules materials
can be divided as either crystalline or amorphous

• Crystalline materials – materials with ordered arrangement

of atoms or molecules – metals, ceramics and some polymers

• Amorphous materials– materials with random arrangement

of atoms or molecules – glass and some polymers

5
 CRYSTAL STRUCTURE

• Atomic arrangement in a crystalline material is usually

described by a space lattice.

• In a space lattice atoms are placed at the intersections of a 3-

D network of lines as shown.
REAL ARRANGEMENT OF ATOMS SPACE LATTICE

7
 8
8
 Unit Cell
The unit cell geometry is completely defined in terms of six parameters: the
three edge lengths a, b, and c, and the three inter-axial angles α, β and γ.
These are indicated in figure below, and are sometimes termed the lattice
parameters(lattice constants) of a crystal structure.
Unit Cell
Special terminologies in unit cell studies,

• ABCD – Face of the cube (6 faces)

• DB – Face diagonal (12 face
H G diagonals)
• CE – Body Diagonal (4 body
E F diagonals)
C • AB, BC, CD, AD- Edges (12 Edges)
D

A B

To define the unit cell the lattice parameters have to be given,

Eg: Cube - Side edge length
Hexagon - Edge length and height
Seven Crystal Systems
1. Cubic
2. Tetragonal
3. Orthorhombic
4. Monoclinic
5. Hexagonal
6. Trigonal
7. Triclinic

11
Crystal Lattice
▪ There are 14 distinct
crystal(Bravais) lattices
=I
Crystal Lattices
1. Simple Cubic 9. Face Centered Orthorhombic
2. Body Centered Cubic 10.Simple Monoclinic
3. Face Centered Cubic 11.Side Centered Monoclinic
4. Simple Tetragonal 12.Hexagonal
5. Body Centered Tetragonal 13.Trigonal
6. Simple Orthorhombic 14.Triclinic
7. Side Centered Orthorhombic
8. Body Centered Orthorhombic

13
• Different types of crystal structures can be formed
due to the differences in the stacking
• Following structures are considered here:
– simple cubic (sc) structure
– body centered cubic (bcc) structure
– face centered cubic (fcc) structure
– hexagonal close packed (hcp/cph) structure

14
 Simple Cubic Structure
• Diagram below shows one layer of atoms in a simple cubic
structure

15
• The other layers stack directly on top
of each other in simple cubic structure

THIRD LAYER

SECOND LAYER

FIRST LAYER

16
• The smallest repeating unit of a crystal
structure is called a unit cell

17
 • Unit cell of simple cubic structure is
shown below
a
a

‘a’ is known as lattice parameter or lattice

constant 18
• In a simple cubic unit cell (also in BCC & FCC) each corner
atom is shared by 8 unit cells
• Therefore, only 1/8 of an atom belongs to one unit cell

19
• In a simple cubic structure the number of
equivalent atoms in a unit cell will be
(8 x 1/8 ) = 1 atom
20
BCC

In BCC structure first layer of atoms appear as shown below

• In BCC the second layer of atoms stack
on the depressions of the first layer
• Third layer of atoms stack on the
depressions of the second layer
• Third layer of atoms has similar
arrangement as the first layer

3RD LAYER
2ND LAYER

1st LAYER

22
• The unit cell of the BCC

23
• The unit cell of the BCC structure
is shown here
a

Body-center
atom
24
• In a body centered cubic structure the
number of equivalent atoms in a unit cell
will be
(8 x 1/8 + 1) = 2 atoms
25
FCC
• An FCC unit cell forms in the following way

26
• FCC unit cell is shown below

27
• FCC unit cell is shown below

- Face-center atoms

28
• The number of equivalent atoms
will be
(8 x 1/8 + 6 x 1/2 ) = 4 atoms

29
 HCP
• An HCP unit cell forms in the following
way

30
• HCP unit cell is shown below

a
a

31
• In HCP structure one corner atom is
shared by six unit cells
• Therefore, only 1/6 of an atom belongs
to one unit cell

32
• In HCP, the center atom (blue) is
shared by two unit cells as shown
• Therefore, only 1/2 of an atom belongs
to one unit cell
• The other three
atoms (red) are
within the unit cell

33
• Number of equivalent atoms will be
(12 x 1/6 + 2 x 1/2 + 3) = 6 atoms

34
Relationship between lattice parameter
‘a’ and atomic radius ‘R’

35
Simple Cubic

R
a
R

a = 2R
36
Face Centered Cubic a
R

2R
a
R

a = 4R /√2
37
Body Centered Cubic
a a√2
a R

2R a
a

a = 4R/√3
38
• Hexagonal close packed

a = 2R

R R c = a √(8/3)
a 39
QUESTION 1

Copper (Cu) has a fcc structure with a

lattice parameter of 3.61Å. What is the
density of Cu?

(Atomic weight of Cu = 63.5 g/mole)

Ans: 8.96 g/cm3

 Mass
Density =
Volume
Mass of a unit cell
=
Volume of the unit cell
63.5
 4g
= 6 . 023 10 23

(
3.61 10 −8 3
)
cm 3

= 8.96 g/cm 3

41
Atomic Packing Factor [APF]

TRUE VOLUME
APF =
BULK VOLUME
Volume of atoms in a unit cell
=
Volume of the unit cell

42
43 APF OF SIMPLE CUBIC

4 π R 3 1 4 π R 3
APF = 3 = 3 = 0.5236 = 52.36%
a 3
(2R )3
44
APF of BCC

4 π R3  2 8 π R3
APF = 3 = 3 = 0.68 = 68%
3 3
a  4R 
 
 3
45
APF of FCC

4 π R 3  4 16 π R 3
APF = 3 = 3 = 0.74 = 74%
3 3
a  4R 
 
 2
Question 2
Find the diameter of the largest atom that could

a) migrate through
b) be placed within a void space in
a simple cubic lattice with a lattice parameter of 20A.
Answer (a)
• Consider a simple cubic unit cell
• Animation below shows how a foreign
atom migrates through the structure

47
• For migration to happen, the foreign
atom should be able to enter and exit
through the face centres

48
Consider a face of this unit cell

d a
R
d + 2R = a 2
a d = a 2 − 2R = a 2 − a
d = 2( 2 − 1) = 0.828 A
0
49
(b) The void space in a simple cubic
structure is found at the center of the
unit cell

50
The largest atom that can be placed in
this void space

D + 2R = a 3
R
D = a 3 − 2R
= a 3−a D a

= 2( 3 − 1) R

= 1.464 A
0
a√2
51
52 QUESTION 3

• Iron changes from BCC to FCC at

9100C at which temperature atomic
radius also increases from 0.126nm
to 0.130nm Find the percentage
change in volume and percentage
change in density on this transition.
 V1 V2
BCC FCC

No. of atoms n n
No. of unit cells n/2 n/4
Atomic radius 0.126 0.130
3
Volume of a U.C.  4 RBCC   4 RFCC 
3

(a3)   
3 

2 53
 3
n  4  0.126 
V1 =   
2  3 
3
n  4  0.130 
V2 =   
4  2 
V2 − V1
Percentage change in volume = 100%
V1
= 0.88%

m −m
V2 V1 V1 − V2
Percentage change in density = = 100%
m V2
V1
54
 MILLER INDICES
Z
O = (0,0,0)
P = (1,0,0)
T S
Q = (1,1,0)
U V R = (0,1,0)
R
O Y S = (0,1,1)

P T = (0,0,1)
Q
U = (1,0,1)
X V = (1,1,1)

55
 MILLER INDICES FOR DIRECTIONS
Z
OQ  [110]
T S
OV  [111]
U V
O
R
Y QV  QO + OV = [110] + [111] = [001]
P Q OT  ?[001]

56
 MILLER INDICES FOR PLANES
Z

PlaneUVQP
T S
Intercepts 1,  , 
U V
R
O Y 1 1 1
Reciprocals , ,
P Q
1  
1, 0, 0
X
Miller Indices (100)

57
Find the Miller Indices of the following
planes:
Z
I. VSRQ (010)
T S
II. TSVU (001)
U V
R
III.UVQP (100) O Y

P
IV.TOPU (010) Q

V. OPQR (001) X

VI.OTSR (100)
58 58
• All the faces in a cube have Miller
Indices (100)

59 59
• All the faces in a cube have Miller
Indices (100)

60 60
• All the faces in a cube have Miller
Indices (100)

61 61
• All the faces in a cube have Miller
Indices (100)

62 62
• All the faces in a cube have Miller
Indices (100)

63 63
• All the faces in a cube have Miller
Indices (100)

64 64
Find the Miller Indices of the following
Z
planes:
I. PUSR (110) T S

II. UTRQ (011) U V

R
O Y
III.PTSQ (101) P Q

IV.TVQO
X
V. UVRO
VI.POSV
65 65
• All the diagonal planes in a cubic structure
have the MI (110)

66 66
• All the diagonal planes in a cubic structure
have the MI (110)

67 67
• All the diagonal planes in a cubic structure
have the MI (110)

68 68
• All the diagonal planes in a cubic structure
have the MI (110)

69 69
• All the diagonal planes in a cubic structure
have the MI (110)

70 70
• All the diagonal planes in a cubic structure
have the MI (110)

71 71
Find the Miller Indices of the following
planes: Z

I. PTR (111)
T S

II. PVR (111)

U V
R
O Y
III.OUQ (111)
P Q
IV.OSQ (111)
X

72 72
• Planes with MI (111)

73 73
• Planes with MI (111)

74 74
• Planes with MI (111)

75 75
• Planes with MI (111)

76 76
Note:
• Miller indices will always be whole numbers
• Fractions should be converted to whole
numbers by multiplying with the LCM

2 1
Z Intercepts 1, ,
3 2
T S 1 3 2
Reciprocals , ,
U V
R
1 2 1
O Y
3
P
1, , 2
Q 2
X
Miller Indices (234) 77
 2 3
Z Intercepts 1, ,
3 4
T S 1 3 4
Reciprocals , ,
U V
R
1 2 3
O Y
3 4
P
1, ,
Q 2 3
X
Miller Indices (698)

78
79 QUESTION 4

Sketch the atomic arrangements on the

following planes:
1. (100) of SC
2. (110) of SC
3. (100) of FCC
4. (110) of BCC
5. (111) of FCC
6. (110) of FCC
80
(100) Simple cubic

a
81
(110) Simple cubic

a√2

a
82
(100) FCC

a
83
(110) BCC

a√2

a
84
(111) FCC

a√2

a√2 a√2
85
(110) FCC
a√2

a
86 CLOSE PACKED PLANE

If all the neighbor atoms in a

crystal plane touch each
other , it is known as a Close
Packed Plane.
e.g. (100) of SC, (111) of FCC
 Planar density
Number of atoms in a unit area (usually
1m2) is known as the planar density or
aerial density of a crystal plane.

QUESTION 5
Find the planar densities of the following
planes taking lattice parameter as 20A:

(100) of SC (110) of SC (100)of FCC

(110) of BCC (111) of FCC (110)of FCC
87
88 ALLOTROPY

• Ability of a single substance to exist in

more than one physical form.
• E.g. Iron
BCC FCC BCC

α - iron γ - iron δ - iron

9100 C 14000 C
 Allotropes of Carbon

Diamond

Graphite

Fullerene
 Carbon Nanotubes
• Its structure consists of a single sheet
of graphite, rolled into a tube, both
ends of which are capped with fullerene
hemispheres
91 QUESTION 6

Figure Q6 shows all the locations of the void spaces

available in an FCC unit cell. These void spaces are
named as octahedral interstices and located at the
center of each edge as well as at the body-center of
the unit cell as shown.

Figure Q6
a. Find the diameter of the largest
foreign atom that can occupy one
of these interstices. Take the lattice
parameter as ‘a’
b. If all these void spaces are
completely occupied by foreign
atoms (that just fit in), how many
such atoms will be there in a single
unit cell?
c. What fraction of the volume will be
filled with parent atoms and foreign
atoms together in this lattice?
92
93 ANSWER (A)

X R
X X d

X
R

d = a – 2R = 2√2R – 2R = 0.828R
94 ANSWER (A) CONTD…..
 ANSWER (A) CONTD…..
95

R
d
R

d = a – 2R = 2√2R – 2R = 0.828R
96 ANSWER (B)

No. of atoms =(12 x ¼)+ 1

= 4 atoms
97 ANSWER (C)

Fraction = 3
( )(
4  R 3  4 + 4  0.414R 3  4
3
)
3
a
= 79%
98 DEFECTS IN CRYSTALS

1. Point defects
2. Line defects or Dislocations
3. Planar defects
4. Bulk defects
99 POINT DEFECTS

Substitutional impurity atom

Interstitial impurity atom
Vacancy

Self-interstitial atom

INTERSTITIAL SITES

PARENT ATOM FOREIGN ATOM / IMPURITY ATOM

 (impurity atom)

(impurity atom)
100
101 LINE DEFECTS / DISLOCATIONS

Dislocations present are two types:

1. Edge dislocation
2. Screw dislocation
102 EDGE DISLOCATION

Edge dislocation forms by the removal (or insertion)

of an extra half-plane
Half plane

Slip plane

103
 ASTRONAUTS BACK TO DISLOCATIONS

Dr. Sharon Cobb of NASA's Marshall

Space Flight Center examines a
model of a crystal lattice.

One of the key points of her lecture is

that processing materials in the
microgravity of space reduces
defects like dislocations.

104
105 PLANAR DEFECTS

Grain boundaries are the planar defects found

in crystalline materials.
106 SOLIDIFICATION OF METALS

Solidification occurs in three stages:

I. Nucleation
II. Growth of crystals
III. Formation of grain structure
107 NUCLEATION

Nuclei
108 GROWTH OF CRYSTALS

crystals
109 FORMATION OF GRAINS

Grain boundary
Grains
110
• A grain is a group of atoms packed in a
particular orientation that is different from
that of the neighbor ones.
• The surface that separates two adjacent
grains is known as the grain boundary.
• Grain structure can only be observed
through a microscope after careful
preparation of samples (microstructure)

111
112

112
113

113
114