Materials can be anything: An unprocessed raw

material or a finished product

- Natural : wood, cotton, wool
- Man-made: steel, plastic, paper

Where do we obtain materials?

- Earth crust: silicon, iron
- Atmosphere: oxygen, nitrogen
Materials Science and Engineering
• Materials science deals with basic knowledge about the internal
structure, properties and processing of materials.

• Materials engineering deals with the application of knowledge

gained by materials science to convert materials to products.
 Materials Science: Investigation of the relationship among
processing, structure, properties and performance of
materials
Performance
Societal and industrial needs

Empirical
knowledge

Properties -mechanical
-synthesis -electrical
-heat treatment -thermal
-casting Processing -optical
-melting -chemical stability

Scientific
knowledge
-subatomic level
Structure -atomic level
Basic science -microscopic level
and understanding -macroscopic level
 Metals Polymers Ceramics Composite
1. Ferrous 1. 1. Traditional
Alloy Thermoplastic (Bricks,Porcel PMC, CMC,
(Steel) (PP, PE, PET, ain,Glass) MMC
2. Non PVC) 2. Technical
Ferrous (AlO, MgO,
Alloy 2. Thermoset
SiO3)
(Al, Mg, Ti, (Epoxy)
Cu)
 Chronological advances
in strength-to-density ratio of materials

10 Aramid fibers,
Strength/density (in x 106)

carbon fibers
8

6 Composites

Ti alloy
2 Wood, Cast Iron &
iron steel Al alloy
stone Bronze
0

1800 1900 2000

Year
Source: Ref 3
 MATERIALS ARE AT THE HEART OF ALL
BRANCHES OF ENGINEERING. ENGINEERS ARE
BETTER ENGINEERS IF THEY HAVE A GOOD
UNDERSTANDING OF THE PROPERTIES OF THE
MATERIALS WHICH THEY USE.
All matter is composed of atoms.

Understanding the structure of

atoms is critical to understanding the
properties of matter
 Mass Charge Charge
Particle
(g) (Coulombs) (units)

Electron (e-) 9.1 x 10-28 -1.6 x 10-19 -1

-24 -19
Proton (p) 1.67 x 10 +1.6 x 10 +1

Neutron (n) 1.67 x 10-24 0 0

mass p = mass n = 1840 x mass e-

Atoms are composed of
-protons – positively charged particles
-neutrons – neutral particles
-electrons – negatively charged particles

Protons and neutrons are located in the

nucleus. Electrons are found in orbitals
surrounding the nucleus.
 HELIUM ATOM

Shell
proton

+
N
-
+
- N

electron neutron
The sum of protons and neutrons is the atom’s atomic
mass.

Isotopes – atoms of the same element that have different

atomic mass numbers due to different numbers of
neutrons.
 ATOMIC STRUCTURE

2
Atomic number

He
the number of protons in an atom

Atomic mass
the number of protons and
4
neutrons in an atom

number of electrons = number of protons

PERIODIC TABLE
ATOMIC NUMBER (Z) = number of protons in nucleus
MASS NUMBER (A) = number of protons + number of neutrons
= atomic number (Z) + number of neutrons
ISOTOPS are atoms of the same element (X) with different numbers of neutrons in the nucleus

Mass Number A
Atomic Number Z X Element Symbol

1 2 3
1 H 1 H (D) 1 H (T)
235 238
92 U 92 U
 HISTORY OF THE ATOM

1913 Niels Bohr

Bohr refined that the electrons were in

orbits. Rather like planets orbiting the
sun. With each orbit only able to contain a
set number of electrons.
ELECTRONS ORBIT
 In the Bohr model of hydrogen, the lowest amount
of energy hydrogen’s one electron can have
corresponds to being in the n = 1 orbit. We call this
its ground state.
 When the atom gains energy, the electron leaps to a
higher energy orbit. We call this an excited state.
 The atom is less stable in an excited state and so it
will release the extra energy to return to the ground
state.
 Either all at once or in several steps.
Neutral atoms have the same number of
protons and electrons.

Ions are charged atoms.

-cations – have more protons than
electrons and are positively charged
-anions – have more electrons than
protons and are negatively charged
An ion is formed when an atom, or group of atoms, has a
net positive or negative charge (why?).
If a neutral atom looses one or more electrons
it becomes a cation.

11 protons 11 protons
Na 11 electrons Na+ 10 electrons

If a neutral atom gains one or more electrons

it becomes an anion.

17 protons 17 protons
Cl 17 electrons Cl- 18 electrons
1) IONIC BONDING
• Occurs between + and - ions.
• Requires electron transfer.
• Large difference in electronegativity required.
• Example: NaCl
 • Predominant bonding in Ceramics

NaCl
MgO
H He
2.1 CaF2 -
Li Be O F Ne
1.0 1.5 CsCl 3.5 4.0 -
Na Mg Cl Ar
0.9 1.2 3.0 -
K Ca Ti Cr Fe Ni Zn As Br Kr
0.8 1.0 1.5 1.6 1.8 1.8 1.8 2.0 2.8 -
Rb Sr I Xe
0.8 1.0 2.5 -
Cs Ba At Rn
0.7 0.9 2.2 -
Fr Ra
0.7 0.9
Give up electrons Acquire electrons
• Requires shared electrons

• Example: CH4
C: has 4 valence e,
needs 4 more
H: has 1 valence e,
needs 1 more
Electronegativities
are comparable.

Adapted from Fig. 2.10, Callister 6e.

 H2O

column IVA
H2 F2
C(diamond)
H He
2.1
SiC - Cl2
Li Be C O F Ne
1.0 1.5 2.5 2.0 4.0 -
Na Mg Si Cl Ar
0.9 1.2 1.8 3.0 -
K Ca Ti Cr Fe Ni Zn Ga Ge As Br Kr
0.8 1.0 1.5 1.6 1.8 1.8 1.8 1.6 1.8 2.0 2.8 -
Rb Sr Sn I Xe
0.8 1.0 1.8 2.5 -
Cs Ba Pb At Rn
0.7 0.9 1.8 2.2 -
Fr Ra
0.7 0.9 GaAs

• Molecules with nonmetals

• Molecules with metals and nonmetals
• Compound solids (about column IVA)
• Arises from a sea of donated valence electrons
(1, 2, or 3 from each atom).

• Primary bond for metals and their alloys

Arises from interaction between dipoles
• Fluctuating dipoles

• Permanent dipoles-molecule induced

-general case:

-ex: liquid HCl

-ex: polymer
 Type Bond Energy Comments
Ionic Large! Nondirectional (ceramics)

Variable Directional
Covalent large-Diamond semiconductors, ceramics
small-Bismuth polymer chains)

Variable
Metallic large-Tungsten Nondirectional (metals)
small-Mercury
Directional
Secondary smallest inter-chain (polymer)
inter-molecular
*Non-directional – attraction between the valence electrons to the neighboring atoms
is not in any particular direction (bonds form in any direction)
Crystalline materials...
• atoms pack in periodic, 3D arrays
• typical of: -metals
-many ceramics
-some polymers
crystalline SiO2

Noncrystalline materials...
• atoms have no periodic packing
• occurs for: -complex structures
-rapid cooling

"Amorphous" = Noncrystalline noncrystalline SiO2

 Space Lattice

Unit Cell
Figure 2 :
14 unit cell
geometries
(Bravais
Unit Cell)

40
 Mostof the metallic materials - 3 types of
crystal structure :

 Face-centered cubic (FCC)

example : Pb, Cu, Al, Ag, Au, Ni

 Body-centered cubic (BCC)

example : Fe, Cr, W, Mo

 Hexagonalclose-packed (HCP)
example: Mg, Ti, Zn, Cd.
41
 Atomic packing factor (APF);

APF = volume of atoms in a unit cell (total sphere volume)

total unit cell volume

 Coordination number;
number of nearest-neighbor or touching
atoms for each atom in the crystal structure

42
 a  4R
2
where
a = unit cell length
R = atomic radius
43
 Atoms located at each of the corners and the centers of all
the cube faces
Example : aluminium, silver, gold, copper etc
Number of atoms per unit cell = 4
Total sphere volume, Vs
Vs  (4) 4 R3
3
Unit cell volume, Vc

Vc  a 3  (4R / 2 )3

Atomic Packing Factor, (APF)

4( 4 R 3 )
Vs 3
APF  
Vc (4 R )3
 0.74
2
 74% of the unit cell space is packed with atoms.

44
 APF = (No. of atoms/unit cell ) (Atomic volume)
Total unit cell volume
= nVa
Vc

 Theoretical density, ρ = nA
VcNA

where
n = number of atoms associated with each unit
cell
A = atomic weight
Vc = volume of the unit cell
(NA)= Avogadro’s number(6.023x 1023 atoms/mol)

45
 a  4R
3

where
a = unit cell length
R = atomic radius

46
 Number of atoms per unit cell =2
Total sphere volume, Vs
Vs  (2) 4 R3
3

Unit cell volume, Vc

Vc  a 3  (4R / 3)3

Atomic Packing Factor, (APF)

2( 4 R 3 )
Vs 3
APF    0.68
Vc (4 R )3
3

 68% of the unit cell is occupied with atoms.

47
48
 1
a  2r h  ( a  ( 1 a) 2 )
3 2
2
c  1.633 ( a )
3 1
2 2
a 4
c  1.633a  ( 3 )a
2

• No. of atoms per unit cell = 6

1  a h
• Area of triangle ABC = 2
1  a  (( 3 )a)
= 2 2
• Area of base = 6 x area of triangle ABC
1
 6  a  ( 3 a)
2 2
3a 2 3

2

49
 Volume of unit cell, Vc= Base area x c

3a 2 3
 c
2
3a 2 3
 1.633a
2
3 3
 1.633(2r )3
4 3 2
 Atomic volume, Va =  r
3
 Atomic packing factor, APF = 6( 4 r 3 ) = 0.74
3
3( 3 ) 1.633(2r 3 )
2

 74% of the unit cell is occupied with atoms and 26% is empty
space.

50
Example :

Copper has the FCC crystal structure with atomic radius, R =

0.1278nm. Assume the atoms to be hard spheres and packed as
close together as possible along the FCC unit cell cross-section.
Calculate the theoretical volume density of copper in mg/m3.
(Atomic mass of Cu = 63.54 g/mol)

SOLUTION :

2a  4R
For FCC,
a  4R
2
4(0.1278 )nm

2
 0.361nm

51
 Mass / unitcell
Theoretical volume density, Pv 
Volume / unitcell

6.02 x 1023 atoms → 63.54 g

4 atoms → 63.54(4) 6
(10 mg )
6.02 10 23

Mass of unit cell, m = 4.22  10 28 mg

9 3
Volume of unit cell, V = a  (0.361 10 )
3

 4.70  10 29 m
3

m 4.22 10 28 mg

 Pv  
v 4.70 10 29 m
3

 8.98mg / m3

52
 Deformation in metal such as forging, drawing
etc. – moves according to certain planes and
directions in the crystal structure.

Example : Ferum (Fe) – Magnetic effect is strong

in [100] direction compare to [111] direction.

Miller Indices – used to explain the planes and

directions position in crystal.

53
  Atomic position in cubic unit cell

Atomic position in BCC unit cell 

54
 A line or vector between 2(two) points.

 Steps in determination of the three directional indices :

1. A vector of convenient length is positioned such that it
passes through the origin of the coordinate system.
2. The length of the vector projection on each of the three
axes is determined; they are measured in terms of the unit
cell dimensions a, b and c.
3. These three numbers are multiplied or divided by a common
factor to reduce them to the smallest integer values.
4. The three direction indices are enclosed by square brackets
with no separating commas, thus : [ ].

55
 All parallel direction vectors have the same
direction indices.

 Crystallographically equivalent directions – the

atom spacing along each direction is the same.

 100  [100], [010], [001], [100], [010], [001]

other directions of a family <110> and <111>

- INDICES OF A FAMILY

56
111 Z
110 Z

0 Y
0 Y

X
X

201 0
Z

1
X 2

57
 203
Z
122 Z

0 Y 1
2

Y
0
2
X 3 X

Z Z

102  201
0 y

1 0 Y
x 2
1
2 X

58
 The reciprocals of the fractional intercepts (with fractions cleared)
which the plane makes with the crystallographic x, y and z axes of
the three nonparallel edges of the cubic unit cell.

 Procedure for determining the Miller indices for a cubic crystal plane
is as follows :
1. Choose the plane that does not pass through the origin at
(0,0,0).
2. Determine the intercepts of the plane in terms of the
crystallograhic x, y and z axes for a unit cube. These
intercepts may be fractions.
3. Form the reciprocals of these intercepts.
4. If necessary, these three numbers are changed to the set of
smallest integers by multiplication or division by a common
factor.
5. Finally, the integer indices, not separated by commas, are
enclosed with parentheses, thus : (hkl)

59
 Z

(1 0 1)

60