Introductory Materials Science and Engineering

MLE 1101 Fall 2008

Tutorial II
C02(E3-06-07); D06(E1-06-04); A03(E3-06-07)
Office hour: 4:30-5:30 pm on Tuesdays, E4-8-11

Assistant Professor Gengchiau Liang

elelg@nus.edu.sg

Note: Solution will be provided on my website after class

(http://www.ece.nus.edu.sg/stfpage/elelg/ )
 Tutorial 2 (Ch3) Introductory Materials Science and Engineering

1. Show for the body-centered cubic crystal structure that the unit cell edge
length a and the atomic radius R are related through a = 4R/√3.
ANS: CH3/P.42

BCC

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 Tutorial 2 (Ch3) Introductory Materials Science and Engineering

2. Calculate the radius of a vanadium atom, given that V has a BCC crystal
structure, a density of 5.96 g/cm3, and an atomic weight of 50.9 g/mol.

•This problem asks for us to calculate the radius of a vanadium atom. For
BCC, n = 2 atoms/unit cell, and
3
⎛ 4R ⎞ 64 R 3
VC = ⎜ ⎟ =
⎜ 3 ⎟ 3 3
⎝ ⎠
Since, n AV
ρ = and solving for R
VC N A
13
⎛ 3n 3 AV ⎞
R = ⎜⎜ ⎟⎟
⎝ 64 ρ NA ⎠

( )
13
⎡ 3 3 ( 2 atoms / unit cell ) ( 50.9 g / mol ) ⎤
= ⎢ ⎥
⎢ ( 64) ( 5.96 g / cm3 ) ( 6.023×1023 atoms / mol ) ⎥
⎣ ⎦
=1.32 × 10-8 cm =0.132 nm

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 Tutorial 2 (Ch3) Introductory Materials Science and Engineering

3. Niobium has an atomic radius of 0.1430 nm and a density of 8.57 g/cm3.

Determine whether it has an FCC or BCC crystal structure.
ANS: CH3/P.43
In order to determine whether Nb has an FCC or BCC crystal structure, we need to
compute its density for each of the crystal structures. For FCC, n = 4, and a=2R√2.
Also, from Figure 2.6 (As shown in Text book), its atomic weight is 92.91 g/mol.
Thus, for FCC

Volume of a unit cell

For BCC, n = 2, and , thus

which is the value provided in the problem.

Therefore, Nb has a BCC crystal structure.
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 Tutorial 2 (Ch3) Introductory Materials Science and Engineering

4. Magnesium has an HCP crystal structure, a c/a ratio of 1.624, and a density of
1.74 g/cm3. Compute the atomic radius for Mg.
ANS: CH3/P.43
This problem calls for us to compute the atomic radius for Mg. In order to
do this we must use Equation (3.5) (as shown in text book), as well as the
expression which relates the atomic radius to the unit cell volume for HCP, C
2R
,Where c = 1.624(2R) R
A R R
B
By substituting it into eq. 3.5, Area=(1/2)x2Rx√3R

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 Introductory Materials Science and Engineering

Crystallographic Directions
z Algorithm
1. Vector repositioned (if necessary) to pass
through origin.
2. Read off projections in terms of
unit cell dimensions a, b, and c
y 3. Adjust to smallest integer values
4. Enclose in square brackets, no commas

x [uvw]

ex: 1, 0, ½ => 2, 0, 1 => [ 201 ]

-1, 1, 1 => [ 111 ] where overbar represents a
negative index
families of directions <uvw>
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 Introductory Materials Science and Engineering

Crystallographic Planes
• Miller Indices: Reciprocals of the (three) axial
intercepts for a plane, cleared of fractions &
common multiples. All parallel planes have same
Miller indices.

• Algorithm
1. Read off intercepts of plane with axes in
terms of a, b, c
2. Take reciprocals of intercepts
3. Reduce to smallest integer values
4. Enclose in parentheses, no
commas i.e., (hkl)

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 Introductory Materials Science and Engineering

Crystallographic Planes
z
example a b c
1. Intercepts 1 1 ∞ c
2. Reciprocals 1/1 1/1 1/∞
1 1 0
3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
x
z
example a b c
1. Intercepts 1/2 ∞ ∞ c
2. Reciprocals 1/½ 1/∞ 1/∞
2 0 0
3. Reduction 2 0 0
y
4. Miller Indices (100) a b
x
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 Introductory Materials Science and Engineering

Crystallographic Planes
z
example a b c c
1. Intercepts 1/2 1 3/4 •
2. Reciprocals 1/½ 1/1 1/¾
2 1 4/3 • y
•
3. Reduction 6 3 4 a b

4. Miller Indices (634) x

Family of Planes {hkl}

Ex: {100} = (100), (010), (001), (100), (010), (001)

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 Introductory Materials Science and Engineering

Crystallographic Planes (HCP)

• In hexagonal unit cells the same idea is used

z

example a1 a2 a3 c
1. Intercepts 1 ∞ -1 1
2. Reciprocals 1 1/∞ -1 1
1 0 -1 1 a2
3. Reduction 1 0 -1 1

a3
4. Miller-Bravais Indices (1011)
a1
Adapted from Fig. 3.8(a), Callister 7e.

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 Introductory Materials Science and Engineering

a0 = 1
a0 = ∞ b0 = 1
b0 = ∞ c0 = ∞
c0 = 1
(110)
(001)

Equivalent: (100), (010), (001)

a0 = 1 ( 1 00), (0 1 0), (00 1 )

b0 = 1 The family: {100}

c0 = 1

(111)
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 Tutorial 2 (Ch3) Introductory Materials Science and Engineering

5. Within a cubic unit cell, sketch the following directions:

ANS: CH3/P.49-53

6. Sketch the (0111) and (2110) planes in a

hexagonal unit cell.
ANS: CH3/P.54
1st Step
(2110) ½, -1, -1, ∞
2nd Step

½, -1, -1, ∞
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 Tutorial 2 (Ch3) Introductory Materials Science and Engineering

7. Sketch within a cubic unit cell the following planes:

ANS: CH3/P.49-53

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 Tutorial 2 (Ch3) Introductory Materials Science and Engineering
.
8. (a)Derive the linear density expression for BCC [110] direction in
terms of atomic radius R
(b)Derive the planar density expression for BCC (110) plane in terms of
atomic radius R

(a) In the figure below is shown a [110] direction within a BCC unit cell.
For this [110] direction there is one atom at each of the
two unit cell corners, and, thus, there is the equivalence
of 1 atom that is centered on the direction vector. The
length of this direction vector is denoted by x in this
figure, which is equal to

where y is the unit cell edge length, which, from Equation 3.3 is
equal to 4R/sqrt(3)

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 Introductory Materials Science and Engineering

Furthermore, z is the length of the unit cell diagonal, which is equal to 4R

Thus, using the above equation, the length x may be calculated as follows:

Therefore, the expression for the linear density of this direction is

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 Introductory Materials Science and Engineering

(b)
Thus, in terms of R, the area of this (110) plane is just

And, finally, the planar density for this (110) plane is just

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 Introductory Materials Science and Engineering

In chemistry, the term transition metal (sometimes also called a transition element) has
two possible meanings:

• It commonly refers to any element in the d-block of the periodic table, including zinc,
cadmium and mercury. This corresponds to groups 3 to 12 on the periodic table.
• More strictly, IUPAC defines a transition metal as "an element whose atom has an
incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell."
By this definition, zinc, cadmium, and mercury are excluded from the transition metals,
as they have a d10 configuration. Only a few transient species of these elements that leave
ions with a partly filled d subshell have been formed, and mercury(I) only occurs as
Hg22+, which does not strictly form a lone ion with a partly filled subshell, and hence
these three elements are inconsistent with the latter definition.[1] They do form ions with
a 2+ oxidation state, but these retain the 4d10 configuration. Element 112 may also be
excluded although its oxidation properties are unlikely to be observed due to its
radioactive nature. This definition corresponds to groups 3 to 11 on the periodic table.

In class, the first one is used to explain transition metal.

However, the text book uses the 2nd definition. Therefore,
let’s follow it.
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 Introductory Materials Science and Engineering

In group A03, I said that H is not metal (alkali metal) based on the
old definition. In general, it is considered to only exist as the gas
phase in nature.
However, the recent discovery shows that the solid H can be found
under extremely high pressure environment and persist the alkali
metal properties. Therefore, it is also cataloged as Metal

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Questions

1. why are there some covalent characters in BaS ?

Similarly, why are there some ionic bondings in AlP?

2. Can I say fluctuating bonding and permanent

bonding all belong to Van der Waal?
For hydrogenal bonding is a particular example of
permanent, hydrogenal bonding also belongs to Van
der Waal, is that correct?
 Tutorial 2 (Ch3) Introductory Materials Science and Engineering

9. The metal niobium has a BCC crystal structure. If the angle of diffraction
for the (211) set of planes occurs at 75.99º (first order reflection) when
monochromatic x-radiation having a wavelength of 0.1659nm is used,
compute
(a) the interplanar spacing for this set of planes and
(b) the atomic radius for the niobium atom.

(a) From the data given in the problem, and realizing that 75.99° = 2θ, the
interplanar spacing for the (211) set of planes for Nb may be computed using
Equation 3.13 as follows:

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 Introductory Materials Science and Engineering

‰ Diffraction Phenomena:
ML + LN = n ⋅ λ
d ⋅ sin θ + d ⋅ sin θ = n ⋅ λ
2 ⋅ d ⋅ sin θ = n ⋅ λ

‰ Bragg’s Law:

λ = 2 ⋅ d hkl ⋅ sin θ
K
ML a
θ d sin θ = ⇒ ML = d ⋅ sin θ d = o

M L
d hkl
(h 2
+ k 2
+ l 2
)
cubic
 Introductory Materials Science and Engineering

(b) In order to compute the atomic radius we must first determine the
lattice parameter, a, using Equation 3.14, and then R from Equation 3.3
since Nb has a BCC crystal structure. Therefore,

And from equation 3.3,

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Introductory Materials Science and Engineering

ATOMIC PACKING FACTOR:  FCC
• APF for a face-centered cubic structure = 0.74