MME 321 Level 3 Term 1

Problem 01 (Callister Example 4.1)

Calculate the equilibrium number of vacancies per cubic meter for copper at 1000 oC. The energy for
vacancy formation is 0.9 eV/atom; the atomic weight and density (at 1000 oC) for copper are 63.5
g/mol and 8.4 g/cm3, respectively.

Solution:
We know,
Density, ρ= [(Number of atoms/cell)x Atomic Mass (A)] / [Avogadro’s number (NA) x Volume of unit
cell]
Or, ρ = [(Number of atoms/cell)/ Volume of unit cell)] x [Atomic Mass (A)/ Avogadro’s number (NA)]
Or, ρ = N x ( A/ NA)
So, Number of atoms per unit volume, N = (ρ x NA)/A
Now, to determine the value of N, the number of atomic sites per cubic meter for copper, from its
atomic weight A its density ρ and Avogadro’s number NA,
𝑁 𝜌
N = 𝐴𝐴 Equation 2
N = [(6.023 x1023 atoms/mol) (8.4 g/cm3)(106 cm3/m3 )] / 63.5 g/mol
N= 8x1028 atoms/m3
So,

𝑄 𝑄
𝑁𝑣 = N exp ( - 𝑘𝑇𝑣 ) = N exp(− 𝑅𝑇𝑣 ) Equation 1
Nv = N exp (- Qv / RT)
Nv = 8.0 x 1028 atoms/m3 exp (-0.9eV/ [(8.62 x 10-5 eV/K ) x (1273 K)]
Nv = 2.2 x 1025 vacancies/m3

Problem 02 (Askeland Example 4.1)

Calculate the concentration of vacancies in copper at room temperature (25°C).
What temperature will be needed to heat treat copper such that the concentration of
vacancies produced will be 1000 times more than the equilibrium concentration of
vacancies at room temperature? Assume that 20,000 cal are required to produce a
mole of vacancies in copper.
Solution:

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

Problem 03 (Askeland Example 4.2)

Calculate the theoretical density of iron, and then determine the number of vacancies needed for a
BCC iron crystal to have a density of 7.874 g/cm3. The lattice parameter of iron is 2.866 x 10-8 cm.
Solution:
The theoretical density of iron can be calculated from the lattice parameter and the atomic mass.
Since the iron is BCC, two iron atoms are present in each unit cell.

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

Problem 04 (Askeland Example 4.3)

In FCC iron, carbon atoms are located at octahedral sites, which occur at the centre of each edge of
the unit cell at sites such as (0, 0, 1/2) and at the centre of the unit cell (1/2, 1/2, 1/2). In BCC iron,
carbon atoms enter tetrahedral sites, such as (0, 1/2, 1/4). The lattice parameter is 0.3571 nm for FCC
iron and 0.2866 nm for BCC iron. Assume that carbon atoms have a radius of 0.071 nm. (a) Would we
expect a greater distortion of the crystal by an interstitial carbon atom in FCC or BCC iron? (b) What
would be the atomic percentage of carbon in each type of iron if all the interstitial sites were filled?
Solution:

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

Problem 05 (Askeland Problem 4-2)

Calculate the number of vacancies per cm3 expected in copper at 1080C (just below the melting
temperature). The activation energy for vacancy formation is 20,000 cal/mol. ( ao for copper=
3.6151 𝑥 10−8 𝑐𝑚 )
Solution:
(4atoms ⁄unit cell)
Number of atoms per unit volume, n = (3.6151 𝑥 10−8 𝑐𝑚)3 = 8.47 x 1022 atoms/𝑐𝑚 3
We Know, nv = n exp (- Qv / RT)

nv = 8.47 x 1022 atoms/𝑐𝑚 3exp [-20,000 cal/mol /(1.987 cal/mol-k)(1353k)]

= 8.47 x 1022 exp (-7.4393) = 4.97 x 1019 vacancies/𝑐𝑚 3

Problem 06 (Askeland Problem 4-3)

The fraction of lattice points occupied by vacancies in solid aluminium at 660 oC is 10-3. What is the
energy required to create vacancies in aluminium?

Solution:
Using Equation 1
nv/n = 10-3 = exp [-Q/(1.987cal/mol-k)(933k)]
In (10-3) = 6.9078 = -Q/(1.987cal/mol-k)(933k)
Q = 12,800 cal/mol

Problem 07 (Askeland Problem 4-4)

The density of a sample of FCC palladium is 11.98 g/cm 3 and its lattice parameter is 3.8902 Å. Atomic
weight of Pd is 106.4 g/mol.
Calculate (a) the fraction of the lattice points that contain vacancies and (b) the total number of
vacancies in a cubic centimetre of Pd.

Solution:
(a) Lets say, There are x sites that contain atom/unit cell
(x) (106.4 g⁄mol)
11.98 g/cm3 = 1023 atoms
[ Equation 2]
(3.8902 𝑥 10−8 𝑐𝑚)3 (6.02 x )
mol

x=3.9905

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

There are 4 sites per cell in FCC metals. Thus

Fraction of the vacant sites = (4-3.9905)/4 = 0.002375
(b) the total number of vacancies in a cubic centimetre

vacancies
.0095
n = (3.8902 𝑥 unit cell
10−8 𝑐𝑚)3
= 1.61 x 10 20 vacancies/𝑐𝑚 3

Problem 8 (Askeland Problem 4-5)

The density of a sample of HCP beryllium is 1.844 g/cm3, atomic weight 9.01 g/mol and the lattice
parameters are a0=0.22858 nm and c0=0.35842 nm.
Calculate (a) the fraction of the lattice points that contain vacancies and (b) the total number of
vacancies in a cubic centimetre.

Solution:
Vunit cell= (.22858 nm)2(.35842nm)cos30= 0.01622 nm3
= 1.622 x 10-23 cm3
(a) Lets say, There are x sites that contain atom/unit cell
(x) (9.01 g⁄mol)
1.844 g/cm3 = 1023 atoms
[ Equation 2]
(1.622 x 10−23 𝑐𝑚)3 (6.02 x )
mol

x=1.9984

There are 2 sites per cell in BCC metals. Thus

Fraction of the vacant sites = (2-1.9984)/2 = .0008
(b) the total number of vacancies in a cubic centimetre

vacancies
.0016
n = (1.622 x 10unit cell
−23 𝑐𝑚)3 = .986 x 10
20
vacancies/𝑐𝑚 3

Problem 09 (Askeland Problem 4-6)

BCC lithium has a lattice parameter of 3.5089× 10−8 cm and contains one vacancy per 200 unit cells.
Atomic weight of Li is 6.94 g/mol.
Calculate (a) the number of vacancies per cubic centimetre and (b) the density of Li.

Solution:
(a) the number of vacancies per cubic centimeter,
1 vacancy
= (200)(3.5089 𝑥 10−8 𝑐𝑚)3 = 1.157 x 1020 vacancies/𝑐𝑚 3

(b) In 200 unit cells, there are 399 Li atoms.

So, atoms/ unit cell = 399/200:
Using Equation 2

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

(399/200) (6.94 g⁄mol)

𝜌= 1023 atoms
= 0.532 g/𝑐𝑚 3
(3.5089 𝑥 10−8 𝑐𝑚)3 (6.02 x )
mol

Problem 10 (Askeland Problem 4-7)

FCC lead has a lattice parameter of 0.4949 nm and contains one vacancy per 500 Pb atoms. Atomic
weight is 207.19 g/mol.
Calculate (a) the density and (b) the number of vacancies per gram of Pb.

Solution:
(a) The number of atoms/cell = (499/500)(4 atoms/cell)
[There is one vacancy per 500 atoms, that’s why available sites per 500 atoms= 499 sites/500
atoms.
So, number of available atom sites in a FCC unit cell= (499/500)(4 atoms/cell)]

(499⁄500)(4atoms/cell)
Number of atoms/unit volume, N = (4.949 𝑥 10−8 𝑐𝑚)3
Using Equation 2
(499⁄500)(4atoms/cell) (207.19 g⁄mol)
p= 1023 atoms
= 11.335 g/𝑐𝑚 3
(4.949 𝑥 10−8 𝑐𝑚)3 (6.02 x )
mol

(b) The 500 Pb atoms occupy =500 / 4 = 125 unit cells:

The number of vacancies per gram of Pb,
1vacancy x [(1/11.335 g/cm3)]
125 cells x (4.949 x 10-8 cm)3

= 5.82 X 1018 vacncies/g

Problem 11 (Askeland Problem 4-9)

A niobium alloy is produced by introducing tungsten substitutional atoms into the BCC structure;
eventually an alloy is produced that has a lattice parameter of 0.32554 nm and a density of 11.95 g
cm-3. Atomic weight of Nb is 92.91 g/mol, and that of W is 183.82 g/mol.
Calculate the fraction of the atoms in the alloy that are tungsten.

Solution:
Total atoms in a BCC unit cell=2
Lets say there are 𝑥𝑤 tungsten atoms in a unit cell
Using Equation 2

(𝑥𝑤 )(183.85g⁄mol)+ (2−𝑥𝑤 )(92.91g⁄mol)

11.95 g/cm3 =
(3.2554 𝑥 10−8 𝑐𝑚)3 (6.02 x 1023 atoms/mol

248.186 = 183.85𝑥𝑤 + 185.82 - 9291𝑥𝑤

9094𝑥𝑤 = 62.366 or 𝑥𝑤 = 0.69 W atoms/cell
There are 2 atoms per cell in BCC metals. Thus:
Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

fw = 0.69/2 = 0.345

Problem 12 (Askeland Problem 4-10)

Tin atoms are introduced into a FCC copper crystal, producing an alloy with a lattice parameter of
3.7589×10−8 cm and a density of 8.772 g/cm3.
Calculate the atomic percentage of tin present in the alloy.
Solution:
Total atoms in an FCC unit cell=4
Lets say there are 𝑥𝑆𝑛 tin atoms in a unit cell

Using Equation 2
(𝑥𝑆𝑛 )(118.69g⁄mol)+ (4−𝑥𝑆𝑛 )(63.54g⁄mol)
8.772 g/cm3 =
(3.7589 𝑥 10−8 𝑐𝑚)3 (6.02 x 1023 atoms/mol

280.5 = 55.15 𝑥𝑆𝑛 + 254.16

or 𝑥𝑆𝑛 = 0.478 Sn atoms/cell
There are 4 atoms per cell in FCC metals; therefore the at% Sn is:
(0.478/4) = 11.95%
Problem 13 (Askeland Problem 4-11)
We replace 7.5 atomic percent of the chromium atoms in its BCC crystal with tantalum. X-ray
diffraction shows that the lattice parameter is 0.29158 nm.
Calculate the density of the alloy.
g
Chromium Atomic Weight=51.996 mol
Tantalum Atomic Weight=180.95 g⁄mol

Solution:
Total atoms in a BCC unit cell=2
Number of tantalum atoms= (.075) x 2
Number of chromium atoms= (1-.075) x 2= (.925) x 2
Using equation 2

g
(2)(0.925)(51.996 )+ 2 (0.075)(180.95 g⁄mol)
mol
p= (2.9158 𝑥 10 𝑐𝑚)3 (6.02 x 1023 atoms/mol
−8 =8.265 g/cm3

Problem 14 (Askeland Problem 4-12)

Suppose we introduce one carbon atom for every 100 iron atoms in an interstitial position in BCC iron,
giving a lattice parameter of 0.2867 nm.
For the Fe-C alloy, find (a) the density and (b) the packing factor.

Solution:
There is one carbon atom per 100 iron atoms,
or 2/100 = 1 C/50 unit cells, [1 BCC unit cell has 2 atoms]

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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 MME 321 Level 3 Term 1

or 1/50 C per unit cell

(2)(55.847 g⁄mol)+ (1/50)(12 g⁄mol)
(a) p = = 7.89 g/cm3 [Equation 2]
(2.867𝑥 10−8 𝑐𝑚)3 (6.02 x 1023 atoms/mol

2 (4π⁄3)(1.241)3+ (1/5)(4π⁄3) (0.77)3

(b) Packing Factor = (2.867)3
= 0.681

Problem 15 (Askeland Problem 4-13)

The density of BCC iron is 7.882 g/cm3 and the lattice parameter is 0.2866 nm when hydrogen atoms
are introduced at interstitial positions.
Calculate (a) the atomic fraction of hydrogen atoms and (b) the number of unit cells required on
average that contain hydrogen atoms.

Solution:
Lets say, x hydrogen atoms were introduced

2(55.847 g⁄mol)+ x (1.00797 g⁄mol)

(a) 7.882 g/cm3 = (2.866𝑥 10−8 𝑐𝑚)3 (6.02 x 1023 atoms/mol [ Equation 2]

x = 0.0081 H atoms/cell
The total atoms per cell include 2 Fe atoms and 0.0081 H atoms.
Thus:
0.0081
fH = = 0.004
2.0081

(b) Since there is 0.0081 H/cell, then the number of cells containing H atoms is:
cells = 1/0.0081 = 123.5 or 1 H in 123.5 cells

Problem 16 (Askeland Problem 4-14)

Suppose one Schottky defect is present in every tenth unit cell of MgO. MgO has the sodium chloride
crystal structure and a lattice parameter of 0.396 nm.
Calculate (a) the number of anion vacancies per cm3 and (b) the density of the ceramic.

Solution:
In 10 unit cells, we expect 40 Mg atoms and 40 Oxygen atoms, but due to the defect:
40 Mg - 1 = 39
40 O - 1 = 39
(a) 1 vacancy/(10 cells) (3.96 x 10-8 cm)3 = 1.61 x 1021 vacancies/cm3
(b) In 40 Mg atoms (10 unit cell) we get 39 atoms due to defect
39
So. in 4 Mg (1 unit cell) we get = ( ) (4) atoms
40
39
Similarly in 1 unit cell we get = (40) (4) oxygen atoms.

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
Page 9 of 12
 MME 321 Level 3 Term 1

Using equation 2,
39
( )(4)(24.312 g⁄mol)+ (39⁄40)(4)(16 g⁄mol)
40
p= (3.96 𝑥 10−8 𝑐𝑚)3 (6.02 x 1023 atoms/mol
= 4.205 g/cm3

Problem 17 (Callister Problem 4-1)

Calculate the fraction of atom sites that are vacant for lead at its melting temperature of 327 C (600
K). Assume an energy for vacancy formation of 0.55 eV/atom.

Solution:
In order to compute the fraction of atom sites that are vacant in lead at 600 K, we must employ
Equation 1.
As stated in the problem, Qv = 0.55 eV/atom.

Thus,
Using Equation 1,

𝑁𝑣 −𝑄𝑣 −0.55𝑒𝑉/ 𝑎𝑡𝑜𝑚

= exp( ) = exp[
𝑁 𝑘𝑇 (8.62𝑥 105 𝑒𝑉/𝑎𝑡𝑜𝑚𝐾) (600𝐾)

= 2.41 x10-5

Problem 18 (Callister Problem 4-2)

Calculate the number of vacancies per cubic meter in iron at 850 C. The energy for vacancy formation
is 1.08 eV/atom. Furthermore, the density and atomic weight for Fe are 7.65 g/cm3 and 55.85 g/mol,
respectively.
Solution:
Determination of the number of vacancies per cubic meter in iron at 850°C (1123 K) requires the
utilization of Equations 1 and 2 as follows:
Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
Page 10 of 12
 MME 321 Level 3 Term 1

𝑄 𝑁𝐴 𝑃 −𝑄 𝑁𝐴 𝑃
𝑁𝑣 = Nexp( 𝑘𝑇𝑣 ) = 𝐴
exp ( 𝑘𝑇𝑣 ) [we know, N = 𝐴
]

And incorporation of values of the parameters provided in the problem statement into the above
equation leads to
(6.0022x 1023 atomsmol)(7.65g⁄ 𝑐𝑚 3 )
𝑁𝑣 = )
55.85 𝑔⁄𝑚𝑜𝑙

1.08 eV/atom
exp[ − ]
(8.62 𝑥 105 − 5 𝑒𝑉⁄𝑎𝑡𝑜𝑚 − 𝐾)(850𝑐 + 273𝐾)

= 1.18 1018 cm-3 = 1.18 1024 m-3

Problem 19 (Callister Problem 4-3)

Calculate the activation energy for vacancy formation in aluminium, given that the equilibrium number
of vacancies at 500 C (773 K) is 7.57x1023 m-3. The atomic weight and density (at 500o C) for
aluminium are, respectively, 26.98 g/mol and 2.62 g/cm3.

Solution:

Upon examination of Equation 1, all parameters besides Qv are given except N, the total number of
atomic sites. However, N is related to the density, (pAl), Avogadro's number (NA), and the atomic
weight (AAl) according to Equation 2 as
𝑁 𝑃
N = 𝐴𝐴
(6.022 x 1023 atoms/mol)(2.62 g⁄cm3 )
N= 26.98 𝑔/mol

= 5.85 x 22 atoms/cm3 = 5.85 x 28 atoms/m3

Now, taking natural logarithms of both sides of Equation 1,
𝑄
In Nv = In N - 𝑘𝑇𝑣

and, after some algebraic manipulation

𝑁𝑣
Qv = -kT In ( )
𝑁
7.57 x 1023 𝑚 −3
= - (8.62 x 10-5 eV/atom-K) (500oC + 273 K) In
5.85 𝑥 1028 𝑚 −3

= 0.75 eV/atom

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
Page 11 of 12
 MME 321 Level 3 Term 1

Problem 20 (Askeland Problem 4-14)

Solutions to the problems were typed by Mr. Rubbayyat Mahbub Turjo, Lecturer, Dept. of GCE, BUET,
Dhaka 1000 for courses taught by Dr. Mamun Al Rashed
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