Wed, 02/09/2012 An Aggie does not lie, cheat, or steal or tolerate those who do Page 1 of 8

Name: Signature:
EXAM 1-rehearsal
CHEN 313- Spring 2012
(100 minutes, Open textbook, open class notes; no other materials is allowed)

1. For a K
+
Cl

ion pair, attractive and repulsive energies E

A
and E
R
, respectively, depend on the distance
between the ions r, according to

E
A
=
1.436
r



E
R
=
5.8 10
6
r
9


For these expressions, energies are expressed in electron volts per K
+
Cl

pair, and r is the distance in nanometers.

The net energy E
N
is just the sum of the two expressions above.
(a) Superimpose on a single plot E
N
, E
R
, and E
A
versus r up to 1.0 nm.
(b) On the basis of this plot, determine (i) the equilibrium spacing r
0
between the K
+
and Cl

ions, and (ii)

the magnitude of the bonding energy E
0
between the two ions.
(c) Mathematically determine the r
0
and E
0
values using the solutions to Problem 2.14, and compare these
with the graphical results from part (b).

Solution
(a) Curves of E
A
, E
R
, and E
N
are shown on the plot below.


(b) From this plot
r
0
= 0.28 nm
E
0
= 4.6 eV
Wed, 02/09/2012 An Aggie does not lie, cheat, or steal or tolerate those who do Page 2 of 8

(c) From Equation 2.11 for E
N

A = 1.436
B = 5.86 10
-6

n = 9
Thus,


r
0
=
A
nB
|
\

|
.
|
1/(1 - n)



=
1.436
(8)(5.86 10
-6
)



(

(
1/(1 - 9)
= 0.279 nm

and


E
0
=
A
A
nB
|
\

|
.
|
1/(1 - n)
+
B
A
nB
|
\

|
.
|
n/(1 - n)



=
1.436
1.436
(9)(5.86 10
6
)




(

(
(
1/(1 9)
+
5.86 10
6
1.436
(9)(5.86 10
6
)




(

(
(
9/(1 9)


= 4.57 eV

Wed, 02/09/2012 An Aggie does not lie, cheat, or steal or tolerate those who do Page 3 of 8
2. The net potential energy E
N
between two adjacent ions is sometimes represented by the expression



E
N
=
C
r
+ Dexp
r

|
\

|
.
|
(2.12)
in which r is the interionic separation and C, D, and are constants whose values depend on the specific material.
(a) Derive an expression for the bonding energy E
0
in terms of the equilibrium interionic separation r
0
and
the constants D and using the following procedure:
1. Differentiate E
N
with respect to r, and set the resulting expression equal to zero.
2. Solve for C in terms of D, , and r
0
.
3. Determine the expression for E
0
by substitution for C in Equation 2.12.
(b) Derive another expression for E
0
in terms of r
0
, C, and using a procedure analogous to the one
outlined in part (a).

Solution
(a) Differentiating Equation 2.12 with respect to r yields


dE
dr
=
d
C
r
|
\

|
.
|
dr

d D exp
r

|
\

|
.
|



(

(
dr




=
C
r
2

De
r /

At r = r
0
, dE/dr = 0, and



C
r
0
2
=
De
(r
0
/)

(2.12b)
Solving for C and substitution into Equation 2.12 yields an expression for E
0
as


E
0
= De
(r
0
/)
1
r
0

|
\

|
.
|

(b) Now solving for D from Equation 2.12b above yields



D =
C e
(r
0
/)
r
0
2


Substitution of this expression for D into Equation 2.12 yields an expression for E
0
as



E
0
=
C
r
0

r
0
1
|
\

|
.
|


Wed, 02/09/2012 An Aggie does not lie, cheat, or steal or tolerate those who do Page 4 of 8

3. The unit cell for tin has tetragonal symmetry, with a and b lattice parameters of 0.583 and 0.318 nm,
respectively. If its density, atomic weight, and atomic radius are 7.27 g/cm
3
, 118.71 g/mol, and 0.151 nm,
respectively, compute the atomic packing factor.

Solution
In order to determine the APF for Sn, we need to compute both the unit cell volume (V
C
) which is just
the a
2
c product. We also need to determine the total sphere volume (V
S
), which is just the product of the
volume of a single sphere and the number of spheres in the unit cell (n). The value of n may be calculated from
Equation 3.7 as



n =
V
C
N
A
A
Sn


=
(7.27 g/cm
3
)(5.83)
2
(3.18)( 10
-24
cm
3
)(6.022 10
23
atoms/mol)
118.71 g/mol


= 4.00 atoms/unit cell
Therefore



APF =
V
S
V
C
=
(4)
4
3
t R
3
|
\

|
.
|
(a)
2
(c)



=
(4)
4
3
(t)(1.51 10
-8
cm)
3



(

(
(5.83 10
-8
cm)
2
(3.18 10
-8
cm)


= 0.534

Wed, 02/09/2012 An Aggie does not lie, cheat, or steal or tolerate those who do Page 5 of 8
4. Titanium has an HCP unit cell for which the ratio of the lattice parameters c/a is 1.58. If the radius of the Ti
atom is 0.1445 nm, (a) determine the unit cell volume, and (b) calculate the density of Ti and compare it with
the literature value.

Solution
(a) We are asked to calculate the unit cell volume for Ti. For HCP, from Equation 3.S1 (found in the
solution to Problem 3.6)



V
C
= 6R
2
c 3

But for Ti, c = 1.58a, and a = 2R, or c = 3.16R, and



V
C
= (6)(3.16) R
3
3


= (6) (3.16) ( 3) 1.445 10
-8
cm
| |
3
= 9.91 10
23
cm
3
/unit cell

(b) The theoretical density of Ti is determined, using Equation 3.7, as follows:



=
nA
Ti
V
C
N
A


For HCP, n = 6 atoms/unit cell, and for Ti, A
Ti
= 47.87 g/mol (as noted inside the front cover). Thus,


=
(6 atoms/unit cell)(47.87 g/mol)
(9.91 10
-23
cm
3
/unit cell)(6.022 10
23
atoms/mol)


= 4.81 g/cm
3


The value given in the literature is 4.51 g/cm
3
.

Wed, 02/09/2012 An Aggie does not lie, cheat, or steal or tolerate those who do Page 6 of 8
5. Determine the indices for the planes shown in the following hexagonal unit cells:

Solution


(a) For this plane, intersections with the a
1
, a
2
, and z axes are a, a, and c/2 (the plane parallels both a
1

and a
2
axes). In terms of a and c these intersections are , , and , the respective reciprocals of which are 0, 0,
and 2. This means that
h = 0
k = 0
l = 2
Now, from Equation 3.10, the value of i is



i = (h + k) = [0 +0] = 0

Hence, this is a

(0002) plane.

Wed, 02/09/2012 An Aggie does not lie, cheat, or steal or tolerate those who do Page 7 of 8
(b) This plane passes through the origin of the coordinate axis system; therefore, we translate this plane
one unit distance along the x axis, per the sketch shown below:


At this point the plane intersects the a
1
, a
2
, and z axes at a, a, and c, respectively (the plane parallels both a
2

and z axes). In terms of a and c these intersections are 1, , and , the respective reciprocals of which are 1, 0,
and 0. This means that
h = 1
k = 0
l = 0
Now, from Equation 3.10, the value of i is



i = (h + k) = (1 + 0) = 1

Hence, this is a

(101 0) plane.



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(c) For this plane, intersections with the a
1
, a
2
, and z axes are a, a, and c. In terms of a and c these
intersections are 1, 1, and 1, the respective reciprocals of which are 0, 1, and 1. This means that
h = 1
k = 1
l = 1
Now, from Equation 3.10, the value of i is



i = (h + k) = (1 + 1) = 0

Hence, this is a

(1 101) plane.


(d) For this plane, intersections with the a
1
, a
2
, and z axes are a/2, a, and c/2, respectively. In terms of a
and c these intersections are 1/2, 1, and 1/2, the respective reciprocals of which are 2, 1, and 2. This means that
h = 2
k = 1
l = 2
Now, from Equation 3.10, the value of i is



i = (h + k) = (2 + 1) = 1

Therefore, this is a

(2 112) plane.