1. Material Science and engineering by William D. Callister, John Wiley & Sons,
USA, 8th Edition, (2007)
Tests:
• In Week 4, Week 10 & Week 12/13
• Syllabus, type & modus operandi of the examination will be furnished in
accordance to the appropriation in terms of time.
MID-Term:
• In Week 7
Engineering Materials?
Why ?
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Unit 1
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Unit 1
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Unit 1
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Unit 1
A small Example:
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Unit 1
Classification of Materials
Semiconductors
&
Alloys
Biomaterials
Advanced Materials
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Unit 1
Unit Cell
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It can be considered that a unit cell is the building block of the crystal
structure and defines the crystal structure by virtue of its geometry and the
atom positions within.
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Unit 1
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Unit 1
Number of atoms per unit cell (n). For an atom that is shared with m
adjacent unit cells, we only count a fraction of the atom, 1/m.
n = (1/8 x 8) + 1 = 2
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Unit 1
CN = 6
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Unit 1
APF, the atomic packing factor, which is the fraction of the volume of the cell
actually occupied by the hard spheres.
APF = Sum of atomic volumes/Volume of cell.
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Unit 1
Crystal Systems
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Unit 1
Crystal Systems
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Crystal Systems
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Unit 1
Crystal Systems
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Crystal Systems
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Crystal Systems
To which Crystal System does this unit cell belongs to?
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Metallic Crystalline
Structures
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a a
Volume of all atoms in the unit cell ( Vs)
a a
Volume of all atoms in the unit cell ( Vs)
= n x 4/3 πR3 = 8/3 πR3
Atomic Packing Factor (Efficiency) of the
cell () = Vs/Vc = 68 %
Void = 100 - = 32 % 37
Unit 1
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47
a
Unit 1
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Unit 1
Crystallographic
Points & Directions
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Unit 1
Point Co-ordinates
• The position of any point located in unit cell can be specified.
• It is done in terms of its coordinates as fractional multiples of unit cell edge lengths.
• Represented in terms of a, b, and c
q, r, s
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Unit 1
Point Co-ordinates
• For the Unit cell shown in the following sketch, locate the point having coordinates
¼, 1, ½
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Unit 1
Point Co-ordinates
• Specify point coordinates for all atom positions for a cubic unit cell with atoms at
cube corners and cube center
1) 0 0 0
2) 1 0 0
3) 1 1 0
4) 0 1 0
5) ½ ½ ½
6) 001
7) 101
8) 111
9) 011
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Unit 1
Crystallographic Directions
• A vector of convenient length is positioned such that it passes through the origin of
the coordinate system.
• The length of the vector projection on each of the three axis is determined, which
are measured in terms of unit cell dimensions a, b, and c.
1) 1 1 1
2) 1 1 0
3) 1 1 1
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Unit 1
Crystallographic Directions
•These three No‟s are multiplied or divided by common factor to reduce them to the
smallest integer values.
• The three indices are not separated by commas, are enclosed in square brackets,
thus: [uvw].
1) 1 1 1
2) 1 1 0
3) 1 1 1
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Unit 1
Crystallographic Directions
Direction 2: [ 1 0 2]
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Unit 1
Crystallographic Directions
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Unit 1
Crystallographic Directions
z
Algorithm
1. Vector repositioned (if necessary) to pass
through origin.
2. Read off projections in terms of
y unit cell dimensions a, b, and c
3. Adjust to smallest integer values
4. Enclose in square brackets, no commas
x
[uvw]
Crystallographic Directions
• Both negative and positive coordinates do exist. Negative indices are represented
by a bar over the appropriate index.
[ 1 1 0]
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Unit 1
Crystallographic Directions
Find the Indices of direction A, B, C, D
A-
B-
C-
D-
Crystallographic Directions
• Find the indices of A, B, C & D.
A-
B-
C-
D-
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Unit 1
[ a1 a2 a3 z]
[uvtw]
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[ 1 1 2 3]
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[ 1 1 2 3]
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[1 1 1]
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[ 2 4 2 3]
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Crystallographic
Planes
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Crystallographic Planes:
Crystallographic Planes:
• Algorithm
1. Read off intercepts of plane with axes in
terms of a, b, c
2. Take reciprocals of intercepts
3. Reduce to smallest integer values
4. Enclose in parentheses, no
commas i.e., (hkl)
Unit 1
Crystallographic Planes: z
example a b c c
1. Intercepts 1 1
2. Reciprocals 1/1 1/1 1/
1 1 0
y
3. Reduction 1 1 0
a b
4. Miller Indices (110) x
z
example a b c
1. Intercepts 1/2 c
2. Reciprocals 1/½ 1/ 1/
2 0 0
3. Reduction 2 0 0 y
4. Miller Indices (100) a b
x
Unit 1
Crystallographic Planes:
z
example a b c
c
1. Intercepts 1/2 1 3/4
2. Reciprocals 1/½ 1/1 1/¾
2 1 4/3 y
a b
3. Reduction 6 3 4
x
4. Miller Indices (634)
Plane 2
Unit 1
Crystallographic Planes: (Practice Problems)
Plane A
Find the Miller Indices for planes
A&B
Plane B
Unit 1
Crystallographic Planes: (Practice Problems)
Plane B
Unit 1
Crystallographic Planes: (HCP)
• In hexagonal unit cells the same idea is used z
example a1 a2 a3 c
1. Intercepts 1 -1 1
2. Reciprocals 1 1/ -1 1
1 0 -1 1 a2
3. Reduction 1 0 -1 1
a3
Answer
P
Unit 1
Density Computations
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Unit 1
Density of Materials
Density = Mass/Volume
⇒ ⇒
Density = ρ = n3 . A gm
a . NA
Lattice constant = a = 3 √ n.A
ρ NA
cm
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Unit 1
Problems :
1) Iron has BCC structure and the atomic radius is 1.24 Ǻ. Calculate the
lattice constant „a‟ for the cubic structure of the iron unit cell.
= 4 x 1.24/ (3)½
= 2.8637 Ǻ
a a
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Unit 1
Problems :
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Unit 1
Problems :
3) Determine the percentage volume change that occurs when iron changes
from BCC structure to FCC cubic structure.
For BCC structure , Assuming there is no change in the size of iron atom,
a = 4R/(3)½ and n = 2
=
and volume/ atom V = a3/n
4R/(3)½ x ½ = 6.16 R3
% of Δ V =
( Final Volume – Initial Volume
Initial Volume ) 100
⇒
For FCC structure,
a= 4R/(2)½ and n = 4
% of Δ V =
( 5.66 R3 – 6.16 R3
6.16 R3 ) 100
⇒
and volume/ atom V = a3/n % of Δ V = - 8.1 %
For FCC, n = 4.
a = 4R/2½ = 4 x 0.1278 x 10-7
2½
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Unit 1
Problems :
4) Cu has a FCC structure and an atomic radius of 0.1278 nm. The atomic
mass of Cu is 63.5 g/mol & Avogadro's No. is 6.023 x 1023. Calculate the
density of Cu.
⇒ Density = ρ =
a3.
n.A
NA
gm
Atomic Radius R = 0.1278 nm
= 0.1278 x 10-7 cm Density of Cu =
4 x 63.5
Atomic Mass = 63.5 g/mol. 3
For FCC, n = 4.
( 2½ )
4 x 0.1278 x 10-7
6.023 x 1023
ρ= n.A gm
Density of Iron :
a3. NA
2 x 55.85
ρ = = 7.93 g/cc
( 2.86 x 10-7 )3 . 6.023 x 1023
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Unit 1
Problems :
6) NaCl crystals have FCC structure. The density of NaCl is 2.18 g/cc.
Calculate the distance between two adjacent atoms.
Density (ρ) = 2.18 g/cc; and for FCC n = 4.
Molecular Weight of NaCl = atomic weight of Na + atomic Weight of Cl
= 23 + 35.5 = 58.5 (i.e. atomic mass. A = 58.5 g/mol)
n.A ⇒
Density : ρ =
a3. NA
gm Lattice constant = a =
3 √ρN
n.A
A
cm
a =
3 √ 4 x 58.5
2.18 x. 6.023 x 1023
= 5.63 x 10-8 cm = 5.63 Ǻ
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Unit 1
Definition :
Some Metals and non-metals may have more than one crystal structure.
This phenomenon is called as Polymorphism.
Pure Iron (Fe) has BCC crystal Whereas, pure Iron (Fe) changes to
structure @ room temperature. FCC when heated @ 912 oC
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Unit 1
Linear Density:
LD = No. of atoms centered on direction vector
Length of directional vector
For example:
Determine the linear density of the [110] direction for the FCC crystal
No. of atoms = ½ X + Y + ½ Z
= 2 atoms.
Length = R + 2R + R = 4R
⇒ 2 atoms
LD110 = 4R
1
LD110 =
2R
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Unit 1
Planar Density:
PD = No. of atoms centered on a plane
Area of plane
For example:
Determine the planar density of the [110] direction for the FCC crystal
No. of atoms = ¼ X + ¼ N + ¼ Z + ¼ M + Y
= 2 atoms.
Area of plane = l . b
= 8√2 R2
a 2√2 R
⇒
2 atoms
PD110 = 8√2 R2 4R
1
PD110 =
4√2 R2
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Unit 1
Closed Packed
Structures
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Unit 1
Closed Packed Structures:
It was observed that both HCP and FCC crystals have atomic packing factor of
0.74, which is the most effective packing of equal sized atoms.
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Unit 1
Closed Packed Structures:
It was observed that both HCP and FCC crystals have atomic packing factor of
0.74, which is the most effective packing of equal sized atoms.
It was observed that both HCP and FCC crystals have atomic packing factor of
0.74, which is the most effective packing of equal sized atoms.
Defect Less:
- Unique Properties,
- Mechanical,
- Optical,
- Electrical,
- Anisotropic.
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Unit 1
Single Crystal:
Difficult to produce in the laboratory, though they can be made under controlled
conditions
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Polycrystal:
Polycrystalline materials are ones which are composed of many small single crystals
or grains. They fall between single crystals or amorphous materials.
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Unit 1
Polycrystal:
Initially small nuclei of various individual crystals form and they grow in different
orientation. The wall that divided each of the grain is called an grain boundary.
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Polycrystal:
Initially small nuclei of various individual crystals form and they grow in different
orientation. The wall that divided each of the grain is called an grain boundary.
Stage 4
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109
Unit 1
Atoms are arranged less regularly at the grain boundary. This produce
less efficient packing of the atoms at the boundary. Thus the atoms along
the grain boundary have higher energy than those within the grains.
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Unit 1
If the orientation between two neighboring grains is less than 10o, then it
is called Low grain boundary or Tilt boundary. In general, it is regarded
as an array of dislocations
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112
Unit 1
Microscopic Examination:
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Unit 1
Microscopic Examination:
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Microscopic Examination:
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Microscopic Examination:
Photomicrograph of the surface of a polished
and etched pollycrystalline specimen
of Ductile Iron.
Microscopic Examination:
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Unit 1
Microscopic Examination:
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Microscopic Examination:
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122
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Grain Size determination: :
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Grain Size determination: :
124
MEC208
End of UNIT - 1