1. A thin film coating is provided by some vendor using physical vapor deposition.

The density and atomic weight of the coat are 7.65 g/cm 3 and 55.85 g/mol
respectively. The vendor provides 200 Kev transmission electron microscope
(TEM) data as shown in FIGURE Q3 for coating materials with electron radiation
having a wavelength of 0.0251 nm and cam constant of 25.03 Ǻ∙mm. Based on
coating specification the energy of atomic vacancy formation is 1.08 ev/atom.

0.681 mm

FIGURE Q3

a. Determine the R values, angle of planes, the interplanar spacing ratio and
identify the element type that forming this coating based dat provided in
Table 1.

[3 marks]

b. Classify all the unit cells in the reciprocal space whether it is primitive,
face centered or body centered and the assuming a hard sphere model,
calculate the atomic packing factor and the planner density.
 [3 marks]

c. Estimate the number of atomic vacancies formed by that coating at

850℃.

[4 marks]

Table 1:
Student ID R1/R3
17008661 222/311=1.05
17009044 331/400=1.09
17010458 200/111=1.15
18001100 400/222=1.15
20000512 311/220=1.17
20000547 400/311=1.21
20000559 222/220=1.22
20000589 331/222=1.26
20000821 331/311=1.31
 Appendix

Table 1: Crystal Structure for some Metals (at room temperature)

Aluminum FCC Nickel FCC

Cadmium HCP Niobium BCC

Chromium BCC Platinum FCC

Cobalt HCP Silver FCC

Copper FCC Titanium HCP

Gold FCC Vanadium BCC

Iron 𝛂 BCC Zinc HCP

Iron 𝛄 FCC Zirconium HCP

Magnesium HCP Lead FCC

Bragg’s law nλ = 2d sinθ

0
Laue equation r = (S-S ) / λ
∞
Fourier Transform F(s) = ∫−∞ 𝑑𝑥 𝑓(𝑥) 𝑒𝑥𝑝⁡(– 𝑖2𝜋𝑠𝑥)

Structure factor F = ∑ f exp { 2πi (hx +ky + lz )}

hkl n 1 1 1

Interplanar spacing for planes reflecting is:  = (d - do)/ do

  = (1/E) ( - ( + )) - where  is Poisson's ratio

 = - (1/E)   - so, for Isotropic material can get stress

𝐾×𝜆
𝐹𝑊𝐻𝑀 × 𝑐𝑜𝑠(𝜃) = + 𝑆𝑡𝑟𝑎𝑖𝑛 × 4 × 𝑠𝑖𝑛(𝜃)
𝑆𝑖𝑧𝑒

𝐾⁡𝜆
𝐹𝑊𝐻𝑀 = ,⁡⁡⁡⁡⁡where, K⁡is⁡(𝐭𝐡𝐞⁡𝐒𝐜𝐡𝐞𝐫𝐫𝐞𝐫⁡𝐜𝐨𝐧𝐬𝐭𝐚𝐧𝐭) = ⁡0.94
(𝑆𝑖𝑧𝑒) 𝑐𝑜𝑠 𝜃

where FWHM is in radian

Ratios of (h2+k2+l2)1/2 for low index reflections in cubic crystals:

FCC BCC
222/311=1.05 321/222=1.08
331/400=1.09 222/310=1.09
200/111=1.15 310/220=1.12
400/222=1.15 220/211=1.15
311/220=1.17 321/310=1.18
400/311=1.21 211/200=1.22
222/220=1.22 222/220=1.22
331/222=1.26 310/211=1.29
331/311=1.31 321/220=1.32
220/200=1.41 200/110=1.41
400/220=1.41 220/200=1.41
331/220=1.54 222/211=1.41
220/111=1.63 321/211=1.53
311/200=1.66 310/200=1.58
222/200=1.73 211/110=1.73
311/111=1.91 222/200=1.73
 222/111=2.00 321/200=1.87

The temperature dependence vacancy defect is:

where Nv is the vacancy concentration, Qv is the energy required for vacancy

formation, kB is the Boltzmann constant, T is the absolute temperature, and N is the
concentration of atomic sites,

where m is mass, NA is Avogadro constant, and M the molar mass where,

NA equal to 6.02214076×1023 mol−1 .

1 h2 + k 2 + l 2
2
=
d a2
1 h2 + k 2 l 2
2
= 2
+ 2
d a c
1 h2 k 2 l 2
= + +
d 2 a 2 b2 c2
Residual stress:

 = (d - do)/ do - this is the strain 

 = (1/E) ( - ( + )) -  is Poisson's ratio

 = - (1/E)   - so, for Isotropic material

 =  (1 + )/E sin2  − (/E)( + )

Lattice plane spacings:

R=L tan2θB ~ 2LsinθB

2dsinθB =λ

R=Lλ/d or d=Lλ/R
Simple Cubic (100), (110), (111), (200), (210), (211), (220), (300), (221)

BCC Cubic (110), (200), (211), (220), (310), (222)….

FCC Cubic (111), (200), (220), (311)…..

Cubic Interplanar Angle Between the Plans Table