MSE 230

Assignment 2 Solutions

Fall 2014

1.
To solve this problem there are two things you need to notice about plots in Fig. 2.8.
First, the potential energy vs. interatomic separation curve is at a minimum at the equilibrium
spacing r0 (therefore dE/dr equals zero when r= r0). Second, the force vs. interatomic separation
curve equals zero when r= r0. Using this information allows one to calculate the
a)

EA = -A/r,

ER = B/rn

Et = -A/r + B/rn

0=

(Emin is @ ro

dE
= A / r 2 nB / rn +1
dr

dE
= 0 @ro )
dr

A = 2.0x10-28 J.m
r = ro = 4x10 10 m
n=9

B = 1.456 x 10-104 J.m9

b)

When plotting Force vs. r, (see Fig. 2.8a), slope @ r=ro bond stiffness or

modulus.
Youngs Modulus

dF d 2 E
4x10 28 J.m 1.31x10102
= 2 =
+
J m9
3
11
dr dr
r
r

dF
d 2E
Strain = 0.001 means that the bond is stretched to 4.004 . If we find
) at 4
2 (or
dr
dr
and 4.004 we can calculate the per cent change in Youngs modulus.

dF
(4) = 25 J/m2
dr
dF
(4.004 ) = 24.677 J/m2
dr
25 24.677
= 0.0129 or 1.3% decrease in Youngs modulus.
25
Please note that the units of J/m2 (or N/m) are not the same as those for Youngs modulus (Pa or
N/m2). This is why the problem states that Youngs modulus is proportional to the slope.
We would need to include some proportionality constant to get the units and numerical values
the same as those for Youngs modulus.

2.* This problem calls for a demonstration of the relationship a = 4R 3 for BCC. Consider the
BCC unit cell shown below
a
Q

a
P
N
O
a

Using the triangle NOP

__
(NP )2 = a2 + a2 = 2a2
And then for triangle NPQ,
__
__
__
(NQ )2 = (QP )2 + (NP )2
__
__
But NQ = 4R, R being the atomic radius. Also, QP = a. Therefore,
(4R)2 = a2 + 2a2, or
a=
3.

4R
3

This problem calls for a computation of the density of iron. According to Equation (3.8)
nAFe
=
VCNA
For BCC, n = 2 atoms/unit cell, and
4R 3
VC =
3
Thus,
=

(2 atoms/unit cell)(55.9 g/mol)

-7
3
3
23
(4)(0.124 x 10 cm) / 3 /(unit cell)(6.023 x 10 atoms/mol)

= 7.90 g/cm

The value given inside the front cover is 7.87 g/cm3.

4.*
Callister 3.16: For each of these three alloys we need to, by trial and error, calculate the
density using Equation (3.8), and compare it to the value cited in the problem. For SC, BCC,
and FCC crystal structures, the respective values of n are 1, 2, and 4, whereas the expressions for
a (since VC = a3) are 2R, 4R/ 3 and 2R 2 .
For alloy A, assume a body centered cubic crystal structure.
nA

A
V N
C A

(2 atoms / unit cell)(43.1g / mol)

"[(4
#

3)(1.22x10 8 cm)]3 / unit cell(6.023x10 23 atoms / mol)

= 6.4 g/cm

Therefore, its crystal structure is BCC.

For alloy B, assume a simple cubic crystal structure.

(1atom/unitcell)(184.4g /mol)

[[(2)(1.46x108 cm)]3 /unitcell(6.023x1023atoms /mol)

= 12.30 g/cm

its crystal structure is simple cubic.

Therefore,
For alloy C, assume a BCC crystal structure.

(2atoms /unitcell)(91.6g /mol)

[[(4

3)(1.37x108 cm)]3 /unitcell(6.023x10 23 atoms /mol)

= 9.60 g/cm

its crystal structure is BCC.

Therefore,

5)

See Figure below