CE211 – Fall 2022 - Study Questions

1) Relative to electrons and electron states, what does each of the four quantum numbers specify?

Answer:

The n quantum number designates the electron shell.

The l quantum number designates the electron subshell.
The ml quantum number designates the number of electron states in each electron subshell.
The ms quantum number designates the spin moment on each electron.

2) The energy related to the atomic attraction can be given as EA = -A/r where r is the interatomic
separation. Find an expression for the attraction force. Calculate the force of attraction between a K+ and
an O2− ion the centers of which are separated by 1.6 nm given that

𝑍1 𝑒𝑍2 𝑒
𝐴= ,
4𝜋𝜀𝑜

where 𝜀𝑜 is the permittivity of a vacuum (8.85 x 10-12 F/m), 𝑍1 and 𝑍2 are the valences of the two ion
types, and e is the electronic charge (1.602 x 10-19 C). (1 F = C2/N-m)

Answer:

The attractive force between two ions FA is just the derivative with respect to the interatomic separation
(r) of the attractive energy (EA = -A/r), which can be written as

The constant A in this expression as in the equation below (Slide 97). Since the valences of the K+ and
O2− ions (Z1 and Z2) are +1 and −2, respectively, Z1 = 1 and Z2 = 2, then

𝑍 𝑒𝑍2 𝑒
1
𝐹𝐴 = 4𝜋𝜀 ,
𝑜 𝑟2

(1)(2 )(1.602  10−19 C )2

= = 1.8  10−10 N
(4)( ) (8.85  10−12 F / m) (1.6  10−9 m) 2
3) (a) Briefly cite the main differences between ionic, covalent, and metallic bonding.
(b) State the Pauli exclusion principle.

Answer:

(a) The main differences between the various forms of primary bonding are:
Ionic—there is electrostatic attraction between oppositely charged ions.
Covalent—there is electron sharing between two adjacent atoms such that each atom assumes a
stable electron configuration.
Metallic—the positively charged ion cores are shielded from one another, and "glued" together by
the sea of valence electrons.
(b) The Pauli exclusion principle states that each electron state can hold no more than two electrons,
which must have opposite spins.

4) Calculate the radius of an iridium atom, given that Ir has an FCC crystal structure, a density of 22.4
g/cm3, and an atomic weight of 192.2 g/mol.

Answer:

We are asked to determine the radius of an iridium atom, given that Ir has an FCC crystal structure. For

FCC, n = 4 atoms/unit cell, and VC = 16R3 2 . We have,

nAIr
r=
VC NA

nAIr
=
(16R3 2 ) NA

And solving for R from the above expression leads to

(4 atoms/unit cell) (192.2 g/mol )

1/ 3
 
=  
 (16)(22.4 g/cm )(6.022  10 atoms/mol)( 2 ) 
3 23

= 1.36  10-8 cm = 0.136 nm

5) Determine the indices for the directions shown in the following cubic unit cell:

Answer: Direction A is a [01 1 ] direction. To solve this problem, we first take note of the vector tail and

head coordinates, then take the point coordinate differences. If the differences are not integers, we then

multiply them with a value that will produce integer values of u, v, and w. Finally, the values of u, v, and

w are enclosed in brackets to give the direction designation. This is summarized as follows:

x y z

Head coordinates (x2, y2, z2) 0a 0b 0c

Tail coordinates (x1, y1, z1) 0a b c
Coordinate differences 0a -b -c
Calculated values of u, v, and w u=0 v = -1 w = -1
Enclosure [01 1 ]

Direction B is a [ 210] direction as indicated in the summary below.

x y z

Head coordinates (x2, y2, z2) 0a b c

Tail coordinates (x1, y1, z1) a b/2 c
Coordinate differences -a b/2 0
Calculated values of u, v, and w u = -2 v=1 w=0
Enclosure [ 210]
 Direction C is a [112] direction as indicated in the summary below.

x y z

Head coordinates (x2, y2, z2) a b c

Tail coordinates (x1, y1, z1) a/2 b/2 0c
Coordinate differences a/2 b/2 c
Calculated values of u, v, and w u=1 v=1 w=2
Enclosure [112]

Direction D is a [112 ] direction as indicated in the summary below.

x y z

Head coordinates (x2, y2, z2) a b/2 0c

Tail coordinates (x1, y1, z1) a/2 0b c
Coordinate differences a/2 b/2 -c
Calculated values of u, v, and w u=1 v=1 w = -2
Enclosure [112 ]

6) Determine the Miller indices for the planes shown in the following unit cell:

Answer:

For plane A since the plane passes through the origin of the coordinate system as shown, we will
move the origin of the coordinate system one unit cell distance to the right along the y axis; thus, this is a
(324) plane, as summarized below.
 x y z

2a c
Intercepts –b
3 2
2 1
Intercepts in terms of a, b, and c –1
3 2
3
Reciprocals of intercepts –1 2
2
Reduction 3 –2 4
Enclosure (324)

For plane B we will leave the origin at the unit cell as shown; this is a (221) plane, as summarized
below.

x y z
a b
Intercepts c
2 2
1 1
Intercepts in terms of a, b, and c 1
2 2
Reciprocals of intercepts 2 2 1
Reduction not necessary
Enclosure (221)

7) What is the type of crystal structure provided in the figure below? Determine the linear density for
[100] direction. Answer: BCC & 1/a

a
8) Using the formula provided below, calculate the fraction of atom sites that are vacant for lead at its
melting temperature of 327°C (600 K).

𝑁𝑣 𝑄
𝑁
= 𝑒𝑥𝑝 (− 𝑘𝑇𝑣 ),
where 𝑁𝑣 is the number of vacant atom sites, 𝑁 is the total number of atoms, 𝑄𝑣 is energy for vacancy
formation, 𝑘 is the Boltzmann constant, and 𝑇 is temperature. Assume an energy for vacancy formation of
0.52 eV/atom.
Answer: To compute the fraction of atom sites that are vacant in lead at 600 K, we can employ the
equation below. As stated in the problem, Qv = 0.52 eV/atom. Thus,

= 4.3 10−5

9) Calculate the number of vacancies per cubic meter in iron at 855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.

Answer: Same equation in question 8 can be used. We need to find 𝑁𝑣 and to do that, we need to first

find 𝑁 which is the number of iron atoms per cubic meter. N for unit volume can be found by dividing the

density of iron (𝜌𝐹𝑒 ) to the weight of one iron atom in grams (𝐴𝐹𝑒 ⁄𝑁𝐴 , where 𝐴𝐹𝑒 is the atomic weight and

𝑁𝐴 is the Avogadro’s number). The equation becomes

Inserting the corresponding values for the parameters into the above equation leads to

= 1.2  1018 cm-3

As the question asks the number of vacancies per cubic meter, cm to m conversion can be applied as:

= 1.2  1018 cm-3 = 1.2  1024 m-3.

10) What is the composition, in atom percent, of an alloy that consists of 30 wt% Zn and 70 wt% Cu?
(𝐴Zn = 65.41 𝑔/𝑚𝑜𝑙, 𝐴Cu = 63.55 𝑔/𝑚𝑜𝑙)

Answer:

To compute composition, in atom percent, of a 30 wt% Zn–70 wt% Cu alloy, we can write (slide 182)

′
𝐶Zn 𝐴Cu
𝐶Zn = × 100
𝐶Zn 𝐴Cu + 𝐶Cu 𝐴Zn

(30)(63.55 g / mol)
= ´ 100
(30)(63.55 g / mol) + (70)(65.41 g / mol)

= 29.4 at%

′
𝐶Cu 𝐴Zn
𝐶Cu = × 100
𝐶Zn 𝐴Cu + 𝐶Cu 𝐴Zn

(70)(65.41 g / mol)
= ´ 100
(30)(63.55 g / mol) + (70)(65.41 g / mol)

= 70.6 at%

11) Which defect/imperfection can be observed in the lattice system below. Please briefly explain.

Answer: Displaced ion (Frenkel defect): an ion displaced from the lattice into an interstitial site.

12) A sheet of steel 1.8 mm thick has nitrogen atmospheres on both sides at 1200C and is permitted to
achieve a steady-state diffusion condition. The diffusion coefficient for nitrogen in steel at this temperature
is 6  10−11 m2/s, and the diffusion flux is found to be 1.2  10−7 kg/m2s. Also, it is known that the
concentration of nitrogen in the steel at the high-pressure surface is 4 kg/m3. How far into the sheet from
this high-pressure side will the concentration be 2.0 kg/m3? Assume a linear concentration profile.
Answer: We have
C - CB
J = - D A
xA - xB

If we take CA to be the point at which the concentration of nitrogen is 4 kg/m 3, then

We can write CA=4 kg/m3, CB=2 kg/m3 and assume xA is zero at the surface, this leads to

4 kg/𝑚3 − 2 kg/𝑚3
𝑥𝐵 = 0 + (6 × 10−11 m2 /s) [ ]
1.2 × 10−7 kg/𝑚2 − 𝑠

= 1  10-3 m = 1 mm

13) Why the diffusion flux increases with an increase in temperature?

Answer: The number of atoms possessing more than a specific amount of energy increase with an
increase in temperature. During diffusion, atoms break bonds and migrate to a new location in the lattice
to form new bonds with new neighboring atoms. With increased temperature, more atoms will have the
energy (activation energy) associated with this process to participate in diffusion.