MS5050: Metallic Materials (Advanced Physical Metallurgy)

13.09.2019 (Lecture#1 and Lecture#2)

Pinaki P Bhattacharjee
Department of Materials Science and Metallurgical
Engineering
IIT Hyderabad
 Topics skipped during MS1020

Left out topics (MS1020) to be discussed

• Miller-Bravis notation for the HCP system

• Unit 2: Characterization by X-ray and electron microscopy

 Directions and Planes in HCP system
•We use a four axes system in HCP system. Why?
z
H

G
F

a2
D

a3 B
C
A

Determine
• the directions: a1, a2, a3 a1
a1= [100]; a2=[010]; a3=-[-1-10]
i.e. although the atomic arrangements in the a1, a2 and a3 directions are similar
they have different indices which defeats the purpose
3-axes to 4-axes transformation for directions
(Miller-Bravais notation)
[uvw] [UVtW]

1
𝑈 = 2𝑢 − 𝑣 ;
3
1
𝑉 = 2𝑣 − 𝑢 ;
3
𝑡 =− 𝑢+𝑣 ;
𝑊=𝑤
What are the indices for the direction (i) CH and (ii) CF?

z In 3-axes system CH is [uvw] = [011]

H

G 1 1
𝑈 = 2𝑢 − 𝑣 = −
F 3 3
1 2
𝑉 = 2𝑣 − 𝑢 =
3 3
1
E t= − ℎ + 𝑘 = −
3
W= 𝑤 = 1

a2 12 1
D 𝑈𝑉𝑡𝑊 = − − 1 = [1ത 21ത 3]
33 3
a3
C
A

a1
 In 3-axes system CF is [uvw] = [111]
z
H U=1/3 (2𝑢−𝑣)=1/3

G V=1/3 (2𝑣−𝑢)=1/3
F
t=−(ℎ+𝑘)=−2/3

E W=𝑤=1

[UVtW]=[1/3 1/3 −2/3 1]= [1123]

ത
a2
D

a3
C
A

a1
 z
a1 a2 a3 c
H intercept (01-11)
α 1 1
sReciprocal 0 1 1
G
Smallest integer 0 1 1ത 1
F

ഥ𝟏)
The index of the plane is: (𝟎𝟏𝟏
E

Also written as: (01.1)

a2
D
a3 B
C
A

a1

What are the indices of the plane shown in dotted red lines?

Note: Same set of rules for determining the Miller indices to be followed
 z
H

G
a1 a2 a3 c
F intercepts 1 α α
Reciprocal 1 0 0
E Smallest integer 1 0 1ത 0

ഥ𝟎)
The index of the plane is: (𝟏𝟎𝟏
a2
D
a3 B
C
A

a1
 z
H

G
F

a2

a3 B
C
A

a1

What are the indices of the plane shown in dotted lines?

Unit 2: Characterization techniques: X-ray Diffraction
& Electron Microscopy
 X-ray

X-rays are electromagnetic waves

 X-ray used for diffraction are having wavelength ~0.5-2.5 Ǻ (1 nm = 10

Ǻ).

Electromagnetic radiation carries energy and the energy flow per unit
area perpendicular to the motion is intensity.

 In the quantum concept electromagnetic waves are considered as

particles i.e. quanta or photon (wave particle duality).
 Genesis of X-ray
• X-rays are produced when electrically charged particles of sufficient kinetic energy rapidly
accelerate/decelerate

•Accelerated / decelerated charged particles emit radiation

C/S of a sealed X-ray tube

• KE= ½ (mv2), where m is the mass of electron (9.11*10-31 kg) and v is the velocity in m/second
 Typical X-ray spectrum of Molybdenum

• White/continuous/Bremssttrahlung radiation: Up to 20 kV
• Characteristic
X-ray spectrumradiation: Superimposed
of molybdenum on the white
as a function radiation
of applied voltage
 Continuous/white radiation/Bremsstrahlung X-rays

• Continuous spectrum results from the rapid deceleration of electrons

heating the target

•Not all the electrons will behave in the same way. Few electrons may stop
at one impact and loose all of their energy in one go or others may undergo
multiple collisions before finally releasing their energy

•The electrons which are stopped in one impact produce photons of

maximum energy i.e. X-ray of minimum wavelength (λSWL).
Shortest wavelength: Continuous/white radiation/Bremsstrahlung X-rays
CharacteristicThe Characteristic
spectrum of Mo spectrum
K, L, M etc.
Further subdivided into Kα, and Kβ
Kα subdivided into Kα1, Kα2
For Mo

Kα1: 0.709
Kα2: 0.71
Kβ1: 0.632

I K  Bi (V  VK ) n

Where B is a proportionality
constant
Kα1 = 0.709 Ǻ i = tube current, V= tube voltage,
Kα2 = 0.71 Ǻ VK is the K excitation voltage
Kβ1 = 0.632 Ǻ N is a constant with a value ~ 1.5
 Characteristic radiation
• When the voltage on x-ray tube is raised above a certain value,
characteristic of the target metal, sharp intensity maxima appear at
certain wavelengths superimposed on the continuous spectrum.

• Their wavelengths are characteristic of the target metal hence

they are called characteristic radiation
 How the characteristic spectrum are generated?
 Electron-atom interaction
K shell
Dislodged e-
Incoming e-
Lα L shell

Kβ M shell

Kα Nucleus

K
L
M
If Wk is the work required to move a K e-, then the necessary kinetic energy of the electron is given by,
½ mv2 = WK
 How the characteristic spectrum are generated?

Dislodged e-
Incoming e-
Lα
Kβ

Kα

K
L
M
 K state
WK

K excitation

Kα

Kβ
WL L state

L excitation

Lα
WM M state

M Mα

WN N state
N
Valence e- removed
W0 0
Mosley’s Law: Why characteristic radiation is characteristic?

  C (Z   )
where C and  are constants

Mosley’s law
 Fluorescent radiation
Fluorescent
radiation
Dislodged K shell

Incoming x-ray photo e-

Lα L shell

Kβ M shell

Kα Nucleus
 Interaction of X-rays with matter
Incident beam

Sample

transmitted Heat
Fluorescent X-ray beam electrons

Scattered X-ray

Auger
electrons
Compton recoil photo
Coherent incoherent electrons electrons
 X-ray Diffraction

• Diffraction occurs when a wave encounters a series of regularly spaced

obstacles which are capable of (i) scattering the wave and (ii) have spacing
comparable in magnitude to that of the wavelength of the incident

• Much of our understanding about crystal structure has resulted from x-ray
diffraction studies.

• Why crystals diffract x-rays but not visible lights?

 Diffraction
1’ 1a’
1
1a

a = distance between atoms

Diffraction

Constructive interference
(The two waves are in
phase/step)

Destructive interference
(The two waves are out of
phase/step)
 Bragg’s Law

Rays 1 and 2 are scattered by atoms K and L and the path difference between rays 1K1/ and 2L2/ is : ML +
LN = d Sin θ + d Sin θ = 2d Sinθ ; d is the interplanar distance

The scattered rays will be in phase/step if

2d Sin θ = nλ Bragg’s Law

Remember that the diffraction angle is 2θ !!

 2d Sin θ = nλ Bragg’s Law

Bragg equation shows the direction (in terms of angle θ) for which we
will have constructive interference

• What is the significance of n?

• What are the differences between reflection and diffraction?

 Use of Diffraction

Bragg Law
2d Sin θ = nλ
Spectrometry
(determination of
Known θ, Known d, we can get λ chemical
composition)

Known λ, Known θ, we can get d Diffraction

 X-ray Spectroscopy

Tool for chemical analysis: When d and θ are known and λ to be

determined

Detector

Source

Working principle of wave dispersive spectrometry

(WDS)
 Diffraction Methods

Method λ θ
Laue Variable Fixed
Rotating crystal Fixed Variable
Powder Fixed Variable