Problem 2.

1:

Theoretical density calculations assume perfect, ideal lattices with no vacancies,

distortions, or substitutions. Vacancies lower the true densities of materials as do most
dislocations. Substitutional defects also impact the density of a material. If the
replacement atom is lighter than the original, the density of the material decreases. If the
replacement atom is heavier, the density could increase, but more often the substitution
creates a distortion in the lattice, increasing the volume and reducing the density. As
such, iridium may be more prone to vacancies and other lattice defects than osmium.
Problem 2.2:

Table 2.2 shows that silver has an FCC structure with an atomic radius of 0.144nm.

We also know from equation 2.2 that

 nA
N AVc

n = 4 atoms/unit cell for an FCC system

A = atomic weight = 107.9 g/mol for silver
NA = Avogadro’s number = 6.022x1023 atoms/mol

For any cubic lattice system, Vc = a03, so we must calculate a0.

Table 2.1 provides that for an FCC system

a 0
 4r
2
.

a  4 ( 0.144 nm )
Thus, 0 2
= 0.407 nm and
Vc = a03= (0.407nm)3 = 0.0676 nm3.

Plugging all values into the density equations gives

 ( 4 atoms / cell )(107.9 g / mol )

( 6.022 x10 23 atoms / mol ( 0.0676 nm3 ) = 1.06x10-20 g/nm3 or 10.61g/cm3.
Problem 2.3

To determine the crystal structure of molybdenum, we will need to determine how many
atoms per unit cell are present. From equation (2.2) we know that
  NnA
AVc
,
which can be rewritten as
N AVc
n A

We are given:
 = 10.22 g/cm3 = 1.022x10-20 g/nm3
a0 = lattice parameter = 0.314 nm
A = atomic weight = 95.94 g/mol for molybdenum
NA = Avogadro’s number = 6.022x1023 atoms/mol

For any cubic system, we can calculate

Vc = a03= (0.314nm)3 = 0.0310 nm3.

(1.022 x1020 g / nm3 )( 6.022 x1023 atoms / mol )( 0.0310 nm3 )

Thus, n  95.95 g / mol

n=2

From section 2.4, we know that BCC is the system with two atoms per unit cell, thus
Molybdenum has a BCC crystal structure.
Problem 2.4:

a) The two point defining the direction are

Head: (0,1,2) and Tail (2,0,0)

Subtract tail from head: 0,1,2 – 2,0,0 = -2, 1, 2

No fractions to clear.
Enclose result in brackets [] and convert the negative to a bar.
The indices of the direction are [ 2 1 2].

b) The two points defining the direction are

Head (½,1,1) and Tail (1,0,2)

Subtract tail from head: ½, 1, 1 – 1, 0, 2 = - ½, 1, -1

Multiply by 2 to clear the fraction = -1, 2, -2
Enclose the result in brackets [] and convert the negative to a bar.
The indices of the direction are [ 1 2 2 ]

c) The two points defining the direction are

Head (0,0,0) and Tail (½,-½,1)

Subtract tail from head: 0,0,0 – ½,-½,1= -½,½,-1

Multiply by 2 to clear the fraction = -1,1,-2
The indices of the direction are [ 1 1 2 ]
Problem 2.5:

a) The two point defining the direction are

Head: (1, ½,0) and Tail (0,2,1)

Subtract tail from head: 1,½,0 – 0,2,1 = 1, -3/2, -1

Multiply by 2 to clear the fraction = 2, -3, -2
Enclose result in brackets [] and convert the negative to a bar.
The indices of the direction are [2 3 2 ].

b) The two points defining the direction are

Head (1,1,- ½) and Tail (½,-½,0)

Subtract tail from head: 1, 1,-½ – ½,-½,0 = ½, 3/2, -½

Multiply by 2 to clear the fraction = 1, 3, -1
Enclose the result in brackets [] and convert the negative to a bar.
The indices of the direction are [1 3 1 ]

c) The two points defining the direction are

Head (-½,-1,1) and Tail (0,0,½)

Subtract tail from head: -½,-1,1 – 0,0,½= -½,-1,1

Multiply by 2 to clear the fraction = -1,-2, 2
The indices of the direction are [ 1 2 2]
Problem 2.6:

a) [1 0 2]

b) [0 1 1]

c) [ 2 3 1 ]
Problem 2.7:

a. [0 1 2]

b. [ 1 1 1]

c. [2 0 2 ]
Problem 2.8:

a) Plane A intercepts the coordinate axes at (2,1,)

Reciprocals are ½,1,0
Multiply by 2 to clear fractions 1,2,0
Enclose the results in ()
(1 2 0) are the Miller Indices of the plane.

b) Plane B intercepts the coordinate axes at (,,½)

Reciprocals are 0,0,2
No fractions to clear
Enclose the results in ()
(0 0 2) are the Miller Indices of the plane.

c) Place C passes through the origin, so it must be shifted by one lattice space in y.
The new parallel (and thus equivalent) plane intercepts the coordinate axes at
(,1, )
Reciprocals are 0,1,0
No fractions to clear
Enclose the results in ()
(0 1 0) are the Miller Indices of the plane.
Problem 2.9:

a) Plane A intercepts the coordinate axes at (1,,1)

Reciprocals are 1,0,1
No fractions to clear
Enclose the results in ()
The Miller Indices of the plane are (1 0 1)

b) Plane B intercepts the coordinate axes at (, 2, -1)

Reciprocals are 0, ½,-1
Multiple by 2 to clear fractions = 0 1 -2
Enclose the results in () and use a bar for the negative
The Miller indices of the plane are (0 1 2 )

c) Plane C passes through the origin and must be moved by 1 lattice space in z.
The new parallel (and thus equivalent) plane passes intercepts at (, 2, 1)
Reciprocals are 0, ½, 1
Multiply by 2 to clear fractions = 0 1 2
Enclose the results in ()
The Miller indices of the plane are (0 1 2)
Problem 2.10:

a. (1 0 0)

Note: does not intercept Y or Z. Intercepts X at 1

 Problem 2.12:

b. Equation (2.11) provides

dG
dt
 Ao exp( RTEA )
Given:
dt  10 nm/min at T=293 K
dG

dG
dt  150 nm/min at T=323 K. and A0, EA, and R are constants. By taking the ratio of
the equation applied at the two data points, we get

A0 exp( R( 293

EA
))
10
=  E A => EA = 71 kJ/mol
150 A0 exp( )
R(323)

Now, take that result and plug it into equation (2.11)

A0 = 4.60x1013 nm/min

c. Equation 2.11 is used with the results from part A to calculate the new rate

dG
dt
 Ao exp( RTEA )
dG
dt  4.6 x1013 exp( R (310
71
))

dG
dt  50 nm/min
Problem 2.13:

Given:
EA = 15 kJ/mol

Ao = 1,000 nm/min

dG nm
2.44
dt min

dG  EA 
A  exp  Equation 2.11
o
dt  R T 

Rearranging this equation gives:

 dG 
 dt   R  1
ln
A
   E  T( K)
 o   A

 2.44 nm   8.314 J 
 min   mol  1
ln   
 1  000 nm   15 000 J  T( K)
 min   mol 

1
.00333
T( K)

T = 300 K
Problem 2.14:

A Schottky defect results when a pair of oppositely charged ions diffuse out of their
lattice sites, leaving vacancies behind. By definition, both positively and negatively
charged ions must be present (as in a ceramic). Pure aluminum would have no negatively
charged particles.
Problem 2.15:

Given:

Area = 1 in2

Magnification = 100x

From the picture shown above, the number of grains, N, can be determined.

N  7

G 1 Equation 2.14
N 2

Rearranging this equation gives:

G  ( N)  1
1.443ln

G  ( 7)  1
1.443ln 3.808

G 3.808
Problem 2.16:

Equation 2.16 provides that

N = 2G-1

Given:
G= grain size number = 4
Magnification = 100x
Area = 1 in2

N = 24-1 = 8
Problem 2.17:

Equation 2.5 provides:

n
d hkl

2 sin 

Given:
  .7107 A
n 1
 1
 37.3

 2
 46.2

(1)(.7107 A)
d 1

2 sin 37.3
 .5864 A

(1)(.7107 A)
d 2

2 sin 46.2
 .4923 A

The second plane is more susceptible to slip. Slip occurs more easily when the atoms are
close together. Above, the interplanar spacing for each peak was calculated using the
Bragg Equation. The interplanar spacing for the second plane was less than the
interplanar spacing for the first plane, indicating that the atoms in the first plane are
farther apart than those in the second plane. Thus, the second plane is more susceptible
to slip.
Problem 2.18:

Given:

 y1
 400 psi  y2
 450 psi

d 1
 .22in. d 2
 .15in.
 y3
 500 psi

d 3
?

Equation 2.15 provides

K
 
y
y 0

d

Subtracting  y1
  y 2 gives:

K (  K
 y1   y 2   0  
y y
0
)
d d 1 2

1 1
 y1 y2
 K y(  )
d 1 d 2

1 1
400 psi  450 psi  K y
(
.22in.

.15in.
)

Solving for K:

lb f
K y  111 .12 1.5
in

111 .12
lb f
1.5

   in
y 0
d
Using:
 y1
 400 psi

d 1
 .22in.

111 .12
lb f
1.5

400 psi   0  in
.22in.
Solving for  0
:

 0
 163.1 psi

111 .12
lb f
1.5

  163.1 psi  in
y
d
Using:
 y3
 500 psi

111 .12
lb f
1.5

500 psi  163.1 psi  in

d3

Solving for d 3
:

d 3
 .109in.
 Problem 2.19:

Interstitial defects must fill voids between atoms in the lattice. The higher the
atomic packing factor (APF), the smaller the interstitial atoms must be to fit in the void
space. Thus, lattices with high APFs will be less prone to interstitial defects than those
with lower APFs.

APFsimple = 0.52; APFBCC=0.68; APFFCC=0.74

Thus, simple cubic would be the most susceptible followed by BCC, followed by
FCC. It is worth noting, however, that all three types can support interstitial defects. It is
the maximum size of the defect that is limited.
 Problem 2.20:

Given:
  .7107 A
n 1
a 0
 1.91 A

d hkl
 1.35 A
t  12 A

a. Equation 2.5 provides

n
d hkl

2 sin 

Which can be rearranged to give

n
sin  
2 d hkl

(1)(.7107 A)
sin    .2632
2(1.35 A)

  15.26

2  30.52

b. Equation 2.9 provides

.9
t
 cos b

Rearranging this equation gives the equation for the spreading of the peak at FWHM, β:

.9

t cos b

.9(.7107 A)
   .0619
(12 A) cos(30.52)
 c. Equation 2.6 provides

a
d hkl

2
0
2 2
h  k l
2 2 2 a
h k l  0

d
hkl

2 2 2 1.91A
h  k l 
1.35 A
 1.41

2 2 2
h  k  l  2.002

The relationship above proves that the squares of the Miller Indices of this plane must
add up to 2. Thus, a possible combination of Miller Indices could be (1 0 1).

2 2 2
1  0 1  2.00
d.
Problem 2.21:

Given:
  .7307 A
n 1

d 1
 3.4 A

a. Equation 2.5 provides

n
d hkl

2 sin 

Which can be arranged to give

n
sin  
2 d hkl

Peak 1:
(1)(.7307 A)
sin    .107
2(3.4 A)

  6.17

2 1  12.34

Equation 2.6:

a
d hkl

2
0
2 2
h k l
2 2 2
Table 2.4 shows the various values of h  k l for each peak in an FCC system:

Table 2.4
Lattice Type h2 + k2 + l2
BCC 2,4,6,8,10,12,14,16
FCC 3,4,8,11,12,16
Simple 1,2,3,4,5,6,8
 2 2 2 2 2 2
Thus, for the first peak h k l = 3, for the second peak h  k l = 4 and so
on. This information can be combined with Equation 2.6 to find the interplanar spacing
of each peak, which can then be used to find the 2θ values.

Equation 2.6:

a
d hkl  2
0
2 2
h k l
Using the data for the first peak, the lattice parameter, a0 can be determined:

3.4 A  a 0

3
a 0
 5.889 A

Peak 2:

2 2 2
Substituting this value into Equation 2.6, as well as the value of h  k l for the
second peak will give the value of the interplanar spacing of the second peak:

5.889 A
d hkl

4
 2.944 A

Susbstituting this value into Equation 2.5:

(1)(.7307 A)
sin  
2( 2.944 A)

  7.13

2 2  14.26

Peak 3:

Repeating this procedure for the third peak:

5.889 A
d hkl

8
 2.082 A
Susbstituting this value into Equation 2.5:

(1)(.7307 A)
sin  
2( 2.082 A)

  10.11 

2 3  20.21

Peak 4:

Repeating this procedure for the fourth peak:

5.889 A
d hkl

11
 1.776 A

Susbstituting this value into Equation 2.5:

(1)(.7307 A)
sin  
2(1.776 A)

  11 .87

2 4  23.75

Peak 5:

Repeating this procedure for the fifth peak:

5.889 A
d hkl

12
 1.70 A

Susbstituting this value into Equation 2.5:

(1)(.7307 A)
sin  
2(1.70 A)

  12.41

2 3  24.82
 b. Given:
2  .20

Equation 2.10:
  .5( 2 )

  .5(.20)  .1

Equation 2.9:
.9
t
 cos b

Since the spreading of the second peak is known, the theta value for the second peak,
7.128°, is used to find the average crystalline thickness, t:

.9(.7307 A)
t  6.628 A
.1cos(7.128)
Problem 2.22:

Given:
λ = .7307A

ρ = 17.3 g/cm3

Equation 2.2
nA

NV A c

Given the values for 2θ at each peak, evaluate and fill in the values listed in the Table
below:
Table S2.22-1

sin 
2
x

sin 
2
Peak 2θ θ sin2(θ) 1
1 21.04 10.52 0.0333 1
2 24.34 12.17 0.0444 1.333
3 34.70 17.35 0.0889 2.671
4 40.93 20.47 0.1223 3.673
5 42.84 21.42 0.1334 4.005
6 49.88 24.94 0.1778 5.339

The last column of the Table S2.22 shows a ratio of the sin2(θ) value of each peak to the
sin2(θ) value of the first peak. Equation 2.8, shown below, proves that this ratio also
compares the sum of the squares of the Miller Indices of each peak.

Equation 2.8:
22 2
sin   h  k  l x
2
x

sin  h  k  l
2 2 2 2
1 1

This information can be used to determine the type of lattice structure the sample has.
Below, Table 2.4 shows the sum of the squares of the Miller Indices for each type of
lattice.
Table 2.4: Reflections Present for Each Cubic Lattice Type
Lattice Type h2 + k2 + l2
BCC 2,4,6,8,10,12,14,16
FCC 3,4,8,11,12,16
Simple 1,2,3,4,5,6,8
Just as was done with the experimental data given, the ratios of sum of the squares of the
Miller Indices for each lattice type were determined, and are listed in Table S2.22-2.
Table S2.22-2

h  k  l 2x
2 2

2 2 2
h  k  l1
Peak FCC BCC SC
1 1 1 1
2 1.333 2 2
3 2.666 3 3

Comparing the values in this table to those in Table S2.22-1, it is easy to see that the
ratios of the FCC peaks are equal to those of the experimental data. Thus, the sample
must be FCC in structure. A sample with an FCC structure has 4 atoms per unit cell.

In order to use Equation 2.2 to calculate the molecular weight of the sample, the lattice
parameter must also be determined. By setting equations 2.6 and 2.5 equal to one
another, this parameter can be determined.

Equation 2.6 and 2.5:

a n
d hkl  2
0
2 2

2 sin 
h  k l
Using the information from the first peak:

  10.52

2 2 2
h k l 3

a 0

(1)(.7307 A)
3 2 sin(10.52)

1cm 8
a 0
 3.466 A 
1 10 nm
8
 3.466 10 cm

Using this information, and rearranging Equation 2.2:

 ( a 0) 3  N A
AV N c A

n n
 (3.466  10 8 cm) 3 g atoms
 (17.3 3 )  (6.022  10 23 )
A unitcell cm mol  108 g
atoms mol
4
unitcell
Problem 2.23:

a. From the given, we know that a plane with Miller indices (2 1 0) exists. When the
2 2 2
h  k  l values for this plane are calculated, they sum to 5:
2 2 2
h  k l  2 2  12  0 2  5

The only lattice structure with the sum of the squares of the Miller Indices
equaling 5 is the Simple Cubic structure, whose first plane is (1 0 0). This plane is
drawn below:

b. Given:
a 0  1.54 A
  .7307 A
Plane : ( 210)

2 2 2
h  k l  2 2  12  0 2  5

Equation 2.6 provides

a0
d hkl

h2  k 2  l 2

Substituting the given and calculated values into the equation gives:

1.54 A
d hkl

5
 .6887 A

c. Equation 2.2 provides

nA g
  7.88
NV A c
cm 3

As stated in part b, the structure is Simple Cubic, so n = 1 atom /unit cell. Rearranging
Equation 2.2 gives:

 ( a 0) 3  N A
AV N c A

n n
 (1.54  10 8 cm) 3 g atoms
 (7.88 3 )  (6.022  10 23 )
A unitcell cm mol  17.33 g
atoms mol
1
unitcell
Problem 2.24:

Equation 2.14 provides

c = y coscos

Because the same tensile stress is applied to each plane, the system with the lowest
product of coscos would have the lowest critical resolved shear stress (c) and will be
the primary slip plane

Plane A) c = y coscos = 0.210y.

Plane B) c = y coscos = 0.830y.

Plane C) c = y coscos = 0.418y.

Thus, Plane A would be the primary slip plane.

Problem 2.25:

The critical shear stress (c) depends on the angle between the applied stress and the
normal to the slip plane as well as the angle between the stress and slip direction as
defined by equation 2.14:

c = y coscos

As such, different planes would have different values of c because of their relative
geometry to the applied force.
Problem 2.26:

The primary slip plane for a given lattice will be that plane that experiences the
lowest critical resolved shear stress (c) for a specific applied stress. Equation 2.14
defines
c = y coscos

Because the angle of the applied stress affects both terms, changing the angle will
increase the critical resolved shear stress for some planes and raise it for others.