Week 4-5

MM101 –Materials and Nanotechnology
Spring -2023
(Week 4-5)
GHULAM ISHAQ KHAN INSTITUTE OF ENGINEERING S1CIENCES & TECHNOLOGY
FACULTY OF MATERIALS & CHEMICAL ENGINEERING

terms of the atomic radius R
Compute atomic packing factor for FCC unit cell
This unit contains four atoms
Experimental = 8.94 g / cm3
Watch: you have to write units through out

Linear density
LD110= 2 atoms / 4R
Planar Density
PD110 = 2 atoms / 8R2√2

PD110 =
(2 atoms / [(16√2 R2)/3]
Area =
Face diagonal x side
Chapter 4: Imperfections
Solidification of molten metals and alloys
The resulting solid is imperfect in many ways

Single crystals, polycrystalline, amorphous materials
• Vacancies:
Point Defects
-vacant atomic sites in a structure.
Vacancy
distortion
of planes
• Self-Interstitials:
-"extra" atoms positioned between atomic sites.
self-
interstitial
distortion
of planes
Metals
Just as Nickel in Cu
Just as C in Iron
Equilibrium Concentration:
Point Defects
• Equilibrium concentration varies with temperature!
No. of defects (vacancies) Activation energy
 -Q v 
= exp  
Nv
No. of potential
defect sites. N  kT 
Temperature
Boltzmann's constant
(1.38 x 10 -23 J/atom-K)
(8.62 x 10 -5 eV/atom-K)
Each lattice site
is a potential
vacancy site
Point defects in Metals & Alloys
► Vacancy
Nv / N = Exp (- Qv / kT)
Nv / N = 10- 4 below m.p
►Self interstitial
Qv
►substitution impurity
►interstitial Impurity
Calculate Vacancies per cubic meter of Cu at 1000 °C ( close to mp )
given E= 0.9 eV/atom, density=8.4 g/cm3 and atomic mass = 63.5 g/mol
Imperfections in crystalline solids
Zero dimension ( an atom missing )
One dimension ( a segment of a line of atoms missing )
Two dimension ( a part of a plane of atoms missing )
Three dimension ( a void, empty bubble exists inside crystal )

Solid Solutions ( Alloys )
►Substitution solutions ( Example: Ni + Cu both FCC )
Criteria for formation of good substitution solution :
1. Atomic size close ( Cu/Ni: 128 / 125 pm )
2. Crystal structure same ( both FCC )
3. Electro-negativity close ( Cu 1.9 & Ni 1.8 )
4. Valency same ( 1+or2+ for Cu and 2+ for Ni )
►Interstitial solutions→ C ( 0.071nm ) + Fe( 0.124nm )

Fe is BCC at room temperature and dissolves roughly 2% of C
This dissolution distorts BCC and strain results
Metals can be purified down to 99.9999 %

Specification of composition of solid solutions ( Alloys )
Weight percent: C1 = m1 / ( m1 + m2 ) X100. Similarly for C2
Atom percent: C1 = nm1 / ( nm1 + nm2 ) X 100. Similarly for C2

Interconversion of the two
Example:
Atom%
Al 97 wt% Cu 3 wt%
Al 98.7 at% Cu 1.30 at%
at. mass Al = 26.98 at. Mass Cu = 63.55
Wt%
Coversion from wt% to At%
Since wt percent
C1=( m 1 / M )x100
Dislocations
Linear dislocations
Compressed bonds
Slip plane
Elongated bonds
Dislocations
Screw Dislocation by applying shear stress
Burger Vector b
Dislocation line & Burger vector are parallel

Motion of dislocation line is perpendicular to Burger vector and dislocation
Mixed dislocation
Side View
Top View
Mixed Dislocations
Dislocations in Ti alloy: Magnification 51,450X ( TEM Image )
Facts about Dislocations
1. A highly deformed metal will have miles
of dislocation lines per cubic centimeter of metal.
2. Ease of motion of dislocations means ductile material
3. Cold working creates dislocations and this strengthens

metals because dislocation lines interfere with other dislocation
motion.
4. Foreign atoms also block dislocation motion and

solution strengthen crystals
5. Second phase precipitates block dislocations and

further strengthen crystals.
Interfacial Defects
1. External surface of the
crystal
2. Grain Boundary
3. Twin/Tilt Boundary
4. Stacking faults
5. Phase boundary etc

Polycrystalline materials
Grain Boundary
Single crystals, polycrystalline, grain boundary
Twin Boundaries: resulting from mechanical stress
or during heat treatment ( annealing )
Twinning ( Brass: Cu - Zn ): 0.75mm
shades mean different amount of light reflection
High resolution TEM image of twin grain boundary in Aluminum
Grain Boundary
1. Separating small grains or crystals with different orientations
2. Can be several atomic distances wide
3. Characterized by atomic mismatch
4. Bond lengths and angles are larger than normal, some bonds not
satisfied
5. Store houses for energy
6. Small grains mean larger surface and more energy
7. If kept at high T ( half of melting point ), grains grow, surface
reduces, energy released,
coarse structure results
8. Is chemically more reactive (corrosion)
9. Impurity atoms accumulate
at boundaries
10.Stops propagation of cleavages
or slippage of planes
11. Separates phases
( cluster of atoms of foreign material )
12. Atoms are less densely packed
Figure 4.13 Cross-section of a
cylindrical
copper ingot. The small, needle-
shape grains
may be observed, which extend
from the
center radially outward
Iron and Copper Phases ( cold pressed )
Bulk or Volume defects
Pores, voids, cracks, foreign inclusions, other phases
In addition to zero, one, two and three dimension defects
Atoms vibrate about their mean positions

Surface defects on solid surfaces
Microscopic Examination
Microstructure of solids
1. Naked Eye (Two objects 100µm apart at 25 cm distance)
2. Optical: Magnification about 2000
3. Transmission electron microscope (TEM) about 1000,000
4. Scanning electron microscope ( SEM ) about 50,000
5. Scanning Probe microscope ( SPM, AFM ) about 1000,000,000
Note: Sample and sample surface have to

be prepared before examination
►Electron Microscopy ( Electrons beam )
Magnification x 1000,000
A. Reflection Mode ( SEM )

B. Transmission Mode ( TEM )
►Scanning Probe Microscopy or

Atomic Force Microscope ( no electron beam )
Magnification x 1000,000,000
Optical Microscope ( photons reflected ) x 2000
Polished and etched surface

Surface groove appears
after etching
Grains of Iron-chromium Alloy ( Polycrystalline )
Magnified 100 times
Grain Size Determination
Two common grain-size determination techniques:
(1) Linear intercept —

counting numbers of grain boundary intersections by straight test lines;
(1) comparison—
comparing grain structures with standardized charts, which are based upon
grain areas (i.e., number of grains per unit area)
Grain Size Determination (intercept method )
1. St. lines of equal length are drawn across grains of micrographs randomly
2. Grains intersected by each line is counted (represented as P)
3. Total Line length / Total no. of grains calculated for all lines = LT / P
4. The answer is divided by magnification (M) of microscope
Grain Size Determination (intercept method )
M=160x,
The length of each line is 50 mm, and thus the total line length (LT)
LT = (7 lines)(50 mm/line) = 350 mm,
P =58 grain-boundary intersections,
the mean intercept length (in millimeters in real space),
Grain size Determination ( ASTM Method )
American Society for Testing Materials ( ASTM )
Charts having grain sizes between 1 to 10 are published
n = 2G-1 where G is ASTM grain size number

G n ( Avg. no. of grains per sq. Inch at
magnification of 100x )
1 1
2 2
3 4
4 8
5 16 Does the grain-size number (G) increase or
6 32 decrease with decreasing grain size?
7 64
8 128
9 252
10 512
For photomicrographs taken at magnifications other than 100,
the following modified form is used
Rhenium Grain size

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MM101 –Materials and Nanotechnology

GHULAM ISHAQ KHAN INSTITUTE OF ENGINEERING S1CIENCES & TECHNOLOGY

FACULTY OF MATERIALS & CHEMICAL ENGINEERING

Watch: you have to write units through out

PD110 = 2 atoms / 8R2√2

(2 atoms / [(16√2 R2)/3]

The resulting solid is imperfect in many ways

No. of defects (vacancies) Activation energy

Nv / N = 10- 4 below m.p

One dimension ( a segment of a line of atoms missing )

Two dimension ( a part of a plane of atoms missing )

Three dimension ( a void, empty bubble exists inside crystal )

Criteria for formation of good substitution solution :

1. Atomic size close ( Cu/Ni: 128 / 125 pm )

2. Crystal structure same ( both FCC )

3. Electro-negativity close ( Cu 1.9 & Ni 1.8 )

4. Valency same ( 1+or2+ for Cu and 2+ for Ni )

►Interstitial solutions→ C ( 0.071nm ) + Fe( 0.124nm )

Metals can be purified down to 99.9999 %

Atom percent: C1 = nm1 / ( nm1 + nm2 ) X 100. Similarly for C2

Al 98.7 at% Cu 1.30 at%

at. mass Al = 26.98 at. Mass Cu = 63.55

Dislocation line & Burger vector are parallel

2. Ease of motion of dislocations means ductile material

3. Cold working creates dislocations and this strengthens

4. Foreign atoms also block dislocation motion and

5. Second phase precipitates block dislocations and

5. Phase boundary etc

Pores, voids, cracks, foreign inclusions, other phases

In addition to zero, one, two and three dimension defects

Atoms vibrate about their mean positions

1. Naked Eye (Two objects 100µm apart at 25 cm distance)

2. Optical: Magnification about 2000

3. Transmission electron microscope (TEM) about 1000,000

4. Scanning electron microscope ( SEM ) about 50,000

5. Scanning Probe microscope ( SPM, AFM ) about 1000,000,000

Note: Sample and sample surface have to

A. Reflection Mode ( SEM )

►Scanning Probe Microscopy or

Polished and etched surface

Two common grain-size determination techniques:

(1) Linear intercept —

n = 2G-1 where G is ASTM grain size number

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