Problem 1

Rhodium has an atomic radius of 0.1345 nm, a density of 12.41 g/cm3, and an atomic weight of
102.91 g/mol. Determine whether it has an FCC or BCC crystal structure, and justify your
determination.

Problem 2
In pure aluminum at 400C, the vacancy concentration is one vacancy per 4.37 x 104 aluminum
atoms. Calculate the vacancy concentration at 660C.
Problem 3
Molybdenum (Mo) forms a substitutional solid solution with tungsten (W). Compute the weight
percent of molybdenum that must be added to tungsten to yield an alloy that contains 1.0 x 1022
Mo atoms per cubic centimeter. The densities of pure Mo and W are 10.22 and 19.30 g/cm3,
respectively. The atomic weights of Mo and W are 95.94 and 183.85 g/mol, respectively.
Problem 4
An FCC iron-carbon alloy initially containing 0.20 wt% carbon is carburized at an elevated
temperature and in an atmosphere wherein the surface carbon concentration is maintained at 1.0
wt%. If after 49.5 h the concentration of carbon is 0.35 wt% at a position 4.0 mm below the
surface, determine the temperature at which the treatment was carried out. The values of D0 and
Q for the diffusion of C in FCC Fe are 2.3 x 10-5 m2/s and 148,000 J/mol, respectively.
d

Problem 5
Determine the ratio of butadiene to styrene mers in a copolymer having a weight-average
molecular weight of 350,000 g/mol and a weight average degree of polymerization of 4425. The
butadiene mer has the following structure:

EQUATIONS AND CONSTANTS

% ionic character = {1 exp[-(0.25)(XA XB)2]} x 100

VC = a = 16 R
3

nA
VC N A

VC = a 3 =

2 (FCC)

64 R 3
(BCC)
3 3

C x C0
= 1 erf
C s C0

3 3a2 c
(HCP)
2

n ( AC + AA )
VC N A
d hkl =

n = dhkl sin + dhkl sin = 2dhkl sin

1 dM
J=
A dt

VC =

d C =D d 2C
dt
dx 2

dC
J = D
dx

a
h2 + k 2 + l2

Q
NV
= exp V
N
kT

Q
D = D0 exp d
RT

2 Dt

T(K) = T(C) + 273.15

l l 0 l
=
l0
l0

E
G=
2(1 + )

F
A0

U r = d
0

L Lo
%EL = f
x100
Lo

= E

T = K Tn
% AR =

Ao A f
Ao

x
= y
z
z

= tan

working =

y
N

x100
3

nw =

Mw
m

nn =

m = f j mj

fs

Ff L

R3

Mn

M w = wi M i

% crystallin ity =

M n = xi M i

c ( s a )
100
F
s ( c a )
E=

L3

4bd 3

fs

3Ff L

rect.
cross
section

2bd 2

Crystal structure
Number of atoms per cell

SC
1

Element
Atomic weight (g/mol)

H
1.008

FCC
4

C
12.01

BCC
2

F
19.00

L3

12R 4
circ.
cross
section

HCP
6

Cl
35.45

k = 1.38 x 10-23 J/atom K = 8.62 x 10-5 eV/atom K

NA = 6.02 x 1023
R = 8.314 J mol-1 K-1

SOLUTIONS
Problem 1
In order to determine whether Rh has an FCC or BCC crystal structure, we need to compute its density
for each of the crystal structures. For FCC, n = 4, and a = 2R 2 . Its atomic weight is 102.91 g/mol.
Thus, for FCC

nARh
(2R 2)3N

(4 atoms/unit cell)(102.91 g/mol)

3
(2)(1.345 x 10-8 cm)( 2) /unit cell(6.023 x 1023 atoms/mol)

= 12.41 g/cm3

which is the value provided in the problem. Therefore, Rh has an FCC crystal structure.

Problem 2
The fraction of vacancy to lattice sites is given by:

Q
NV
= exp V
N
kT

Here NV/N = 1/4.37 x 104 = 2.29 x 10-5. Therefore,

-QV/kT = ln (2.29 x 10-5) = -10.68
and Qv = 10.68 x 8.62 x 10-5 x (273.15 + 400) = 0.620 eV/atom.
At 600 C, NV/N = exp (-0.620/(8.62 x 10-5 x (273.15 + 660)) = 4.49 x 10-4
and N/Nv = 2225

Problem 3
Basis = 1 cm3.
The number of moles of Mo is 1.0 x 1022 /NA = 1.66 x 10-2 moles. Therefore, the mass of Mo is
1.66 x 10-2 moles x 95.94 g/mol = 1.59 g.

Therefore, the volume of Mo is 1.59 g / 10.22 g/cm3 = 0.156 cm3.

The volume of W is then 1 - 0.156 = 0.844 cm3.
And the mass of W is 0.844 cm3 x 19.30 g/cm3 = 16.3 g
Therefore, the weight percent of Mo is 1.59 / (1.59 + 16.3) = 0.0889 = 8.89%

Problem 4
Cx - Co

0.35 - 0.20
x
Cs - Co = 1.0 - 0.20 = 0.1875 = 1 - erf 2 Dt
Or
erf

x
= 0.8125
2 Dt

Now it becomes necessary to determine the value of x/2 Dt using linear interpolation:

erf (z)

0.90

0.7970

0.8125

0.95

0.8209
0.8125 - 0.7970
y - 0.90
0.95 - 0.90 = 0.8209 - 0.7970

From which

y = 0.9324.

Thus,
x
= 0.9324
2 Dt

And since t = 49.5 h and x = 4.0 mm

D=

x2
(4t)(0.9324)2

(4.0 x 10-3)2 m2
= (4)(178,200 s)(0.869) = 2.58 x 10-11 m2/s

Now, we must solve for the temperature at which D has the above value:

Qd
T = R(ln D - ln D)
o

Therefore,
T=

148000 J/mol
(8.31 J/mol-K) ln(2.3 x 10-5) - ln(2.58 x 10-11)

= 1300 K = 1027C
Problem 5:
_
It is necessary to calculate the average mer molecular weight of the copolymer, m :

_
Mw

m = n =
w

350000 g/mol
= 79.10 g/mol
4425

If we designate fb as the chain fraction of butadiene mers, since the copolymer consists of only two
mer types, the chain fraction of styrene mers fs is just 1 - fb. Now,

_
m = fbmb + fsms = fbmb + (1 - fb)ms
in which mb and ms are the mer molecular weights for butadiene and styrene, respectively. These
values are calculated as follows:
mb = 4(AC) + 6(AH) = 4(12.01 g/mol) + 6(1.008 g/mol) = 54.09 g/mol
ms = 8(AC) + 8(AH) = 8(12.01 g/mol) + 8(1.008 g/mol) = 104.14 g/mol.
Solving for fb in the above expression yields

_
m - ms

79.10 g/mol - 104.14 g/mol

fb = m - m = 54.09 g/mol - 104.14 g/mol = 0.50
b
s
Furthermore, fs = 1 - fb = 1 - 0.50 = 0.50; or the ratio is just

fb 0.50
fs = 0.50 = 1.0