MIDDLE EAST TECHNICAL UNIVERSITY

DEPARTMENT OF CIVIL ENGINEERING

Division of Construction Materials

CE 241  Materials Science

Solutions of Problem Set 2

Miller Indices

1. What are the Miller indices for the direction presented by the vector in the figure below?

𝑦
𝑎
𝑥 𝑏

0
Projection in 𝑥 direction: 0 =0
𝑎
Normalization 𝑏
Projection in 𝑦 direction: −𝑏 − = −1 [01̅1]
𝑏
𝑐
Projection in 𝑧 direction: 𝑐 =1
𝑐
2. What are the Miller indices for the plane shown below?

2
3
𝑐

𝑦
𝑎
𝑥 𝑏

If the plane passes through the selected origin, either another parallel plane must be constructed within the unit cell
by an appropriate translation, or a new origin must be established at another corner.

2
3
𝑐

𝑎
𝑥 𝑏

Intercepts & 1 1 1 1 1 1
ℎ= = =1 𝑘= = = −1 𝑙= = = 3⁄2
Reciprocals 𝑢 1 𝑣 −1 𝑤 2⁄
3

Make integer 2 -2 3

Miller indices (22̅3)

In a unit cell with mutually orthogonal edges, an alternative
method to find the indices of a plane, which are in fact the
indices of the normal to that plane, is to calculate the cross
product of two vectors located in that plane.

In this example, we can find the indices of the vector

⃗⃗⃗⃗⃗
𝑄𝑅 = [𝑢1 𝑣1 𝑤1 ], and the vector ⃗⃗⃗⃗⃗
𝑄𝑆 = [𝑢2 𝑣2 𝑤2 ] using the S
formulas given below.
𝑥2 −𝑥1 𝑦2 −𝑦1 𝑧2 −𝑧1
𝑢 = 𝑛( ), 𝑣 = 𝑛( ) ,𝑤 = 𝑛( )
𝑎 𝑏 𝑐 Q

Where 𝑥1 , 𝑦1 , 𝑧1 are the coordinates of the tail point (start

point) of the vector, 𝑥2 , 𝑦2 , 𝑧2 are the coordinates of the
head point (end point) of the vector, and 𝑛 is a common
factor used to get rid of any fracture might be obtained in
the results. R
We can then calculate the cross product of the two vectors
by using simple vector multiplication operation.
𝑎 𝑏 𝑐 𝑣 𝑤1 𝑢1 𝑤1 𝑢1 𝑣1
⃗⃗⃗⃗⃗ = |𝑢1 𝑣1 𝑤1 | = | 1
⃗⃗⃗⃗⃗ × 𝑄𝑆
𝑄𝑅 𝑎 − 𝑏 +
𝑣2 𝑤2 | | 𝑢2 𝑤2 | |𝑢2 𝑣2 | 𝑐
𝑢2 𝑣2 𝑤2

Based on that, and for this example, we can find that the indices for vector ⃗⃗⃗⃗⃗
𝑄𝑅 are [110] and the indices for
vector 𝑄𝑆 ⃗⃗⃗⃗⃗ are [032].
𝑎 𝑏 𝑐
⃗⃗⃗⃗⃗ 1 0 1 0 1 1
𝑄𝑅 × ⃗⃗⃗⃗⃗
𝑄𝑆 = |1 1 0| = | |𝑎 − | |𝑏 + | |𝑐
3 2 0 2 0 3
0 3 2
⃗⃗⃗⃗⃗ × 𝑄𝑆
𝑄𝑅 ⃗⃗⃗⃗⃗ = (1 × 2 − 0 × 3)𝑎-(1 × 2 − 0 × 0)𝑏 + (1 × 3 − 1 × 0)𝑐
⃗⃗⃗⃗⃗
𝑄𝑅 × ⃗⃗⃗⃗⃗
𝑄𝑆 = 2𝑎 − 2𝑏 + 3𝑐

This alternative approach yields the Miller indices of the normal vector to the plane [22̅3] which are none
other than the Miller indices of the plane (22̅3).
3. Draw [231], [221], and [112] directions within a unit cell along with the coordinate axes.

𝑧 𝑧 𝑧
1
2
1
2

1
3

𝑦 1
𝑦 𝑦
2
2
𝑥 3 𝑥 𝑥

[231] [221] [112]

4. Draw [11̅0], [102], and [11̅1] directions within a unit cell along with the coordinate axes.

𝑧 𝑧 𝑧

1
2

𝑦 𝑦 𝑦

𝑥 𝑥 𝑥

[11̅0] [102] [11̅1]

5*. Determine the indices for the directions depicted in the following unit cell.

2
3 2
A 3 B
1
1 2
2 C 1 1
1 ,
2 2
3
D 𝑦
1
1 1
, 3
2 2

A: [331̅], B: [4̅03̅], C: [3̅61], D: [1̅11̅]

6. Draw (221), (101), and (21̅1) planes in a unit cell along with the coordinate axes.

𝑧 𝑧 𝑧

1 1
2 2
𝑦 𝑦 1 𝑦
2
𝑥 𝑥 𝑥

(221) (101) (21̅1)

* Callister, W. D., & Rethwisch, D. G. (2007). Materials science and engineering: an introduction. New York:
Wiley.
7. Draw [100], [110], and [111] directions in a body-centered cubic unit cell and determine the linear density of
each direction in terms of the lattice constant 𝑎.

Body-Centered Cubic Structure

𝑧

[111]

𝑦
[100]

𝑥
[110]

1 1
For BCC [100]; Number of atoms = ( ) ∙ 2 = 1  𝛿[100] =
2 𝑎

1 1
For BCC [110]; Number of atoms = (2) ∙ 2 = 1  𝛿[110] = 𝑎
√2

𝑎√2

1 2
For BCC [111]; Number of atoms = (2) ∙ 2 + 1 = 2  𝛿[111] = 𝑎
√3

𝑎√3
8. Determine the planar density of (111) and (110) planes in a FCC crystal with a lattice constant 𝑎 = 0.354 nm.
𝑧 𝑧

(111)

(110)

𝑦 𝑦

𝑥 𝑥

For FCC (111);

1 1
Number of atoms = ( ) ∙ 3 + ( ) ∙ 3 = 2
2 6

𝑎√2 2 √3 √3 2
Area = (𝑎√2) ∙ = 𝑎
4 2
𝑎 = 0.354 nm = 3.54 ∙ 10−8 cm
2 4 1
 𝛿(111) = √3 = = 1.84 ∙ 1015
⁄ (𝑎)2 √3𝑎2 cm2
2

b2 √3
Note: For an equilateral triangle, Area = 4

For FCC (110);

1 1
Number of atoms = ( ) ∙ 4 + ( ) ∙ 2 = 2
4 2
Area = 𝑎 ∙ 𝑎√2 = √2𝑎2
𝑎 𝑎 = 0.354 nm = 3.54 ∙ 10−8 cm
2 1
 𝛿(110) = = 1.13 ∙ 1015
√2(𝑎)2 cm2

𝑎√2
9. Determine the planar density of (110) in a body-centered cubic unit cell in terms of the lattice constant 𝑎.

B′
A′

C′

𝑦
E′
D′
𝑥

A′ B′
C′
D′ E′

For BCC (110) ;

1
Number of atoms = ( ) ∙ 4 + 1 = 2
4
Area of (110) plane (rectangle A′ B′ D′ E ′ ) = 𝑎 ∙ 𝑎√2 = 𝑎2 √2

2 √2
𝛿(110) = =
𝑎2 √2 𝑎2
10*. For a unit cell whose (110), (101), and (011) planes are shown below, answer the following questions.

a) To what crystal system does the unit cell belong?

b) What would this crystal structure be called?
c) If the density of this metal is 18.91 g/cm3, determine its molar mass.

Orientation Assumptions:
𝑧 𝑧 𝑧

0.20

𝑦 𝑦 𝑦
0.25
0.30
𝑥 𝑥 𝑥
(110) (101) (011)

Check the orientation assumptions and 𝛼 = 𝛽 = 𝛾 = π⁄2 :

?
If 0.392 = 𝑎2 + 𝑏 2 = 0.252 + 0.302 √
?
If 0.322 = 𝑎2 + 𝑐 2 = 0.252 + 0.202 √
?
If 0.362 = 𝑏 2 + 𝑐 2 = 0.302 + 0.202 √
Then,
a) This unit cell belongs to the orthorhombic crystal system since 𝑎 = 0.25 nm, 𝑏 = 0.30 nm,
𝑐 = 0.20 nm, and α = β = γ = 90°.

b) This crystal structure would be called face-centered orthorhombic.

𝑛[atoms] 𝐴[g⁄mol] 𝜌𝑉𝑐𝑒𝑙𝑙 𝑁𝐴

c) 𝜌[g⁄cm3 ] = 𝑉𝑐𝑒𝑙𝑙 [cm3 ] 𝑁𝐴 [atoms⁄mol]
 𝐴= 𝑛

(18.91 g⁄cm3 ) ∙ (2 ∙ 2.5 ∙ 3 ∙ 10−24 cm3 ) ∙ (6.02 ∙ 1023 atoms⁄mol)

A= = 42.7 g⁄mol
4 atoms

* Callister, W. D., & Rethwisch, D. G. (2007). Materials science and engineering: an introduction. New York:
Wiley.
Structural Imperfections

11. Classify the structural imperfections according to their length scale.

10−14 10−10 10−8 10−6 10−4 10−2 10−1 100 m

12. Describe the interstitial and substitutional impurity atoms by sketching a representative material structure
where these point defects exist.

Interstitial (smaller atoms) Substitutional (larger atoms)

These are point defects arising from the presence of impurity atoms. Interstitial impurities are smaller atoms
than the host atom, whereas the sizes of substitutional impurities and host atom are usually similar.

13. Describe the edge and screw dislocations by denoting them in a typical crystalline structure, and state the
fundamental differences between these two.

Edge dislocation
 Screw dislocation

Edge dislocation and screw dislocation are one-dimensional defects around which atoms are misaligned. In an
edge dislocation, extra half-plane of atoms is inserted in a crystal structure; and Burger’s vector is
perpendicular to the dislocation line. However, a screw dislocation results from shear distortion; and Burger’s
vector is parallel to the dislocation line.

14. The two different lattices with dislocations are given in the figure below. Identify the type of dislocation
and plot the Burger’s vector for each.

Burger’s vector, b
Dislocation
line

Dislocation
line

Burger’s vector, b

a) Edge dislocation b) Screw dislocation

15. Give three examples for surface defects.

 Free surfaces
 Grain boundaries
 Interphase boundaries
16. What could be an implication of a bulk defect in a glass plate with regard to its overall macroscopic tensile
strength?

Stress Stress
distribution distribution

(a) A glass plate without any defect (b) A glass plate with a bulk defect

When the plate in case (a) is subjected to a tensile load, this load travels in a normal distributed way through
all the plate without any change. However, when a bulk defect is presented, case (b), there will be a stress
concentration at or close to the tips of the defect, parallel to the load direction. The new generated stresses
will disturb the normal stress distribution and produce local co-generations of stresses. In other words, the
presence of bulk defects such as cracks, notches, holes reduces to the strength of the material and makes the
material act in a more brittle manner.