Engineering Materials

2nd Year
Dept. of Petroleum Engineering
Dr. Tarek Allam
 HCP Crystal Structure
Such as: cadmium, magnesium, titanium, and zinc
Number of atoms/unit cell = 6 atoms
(12 corners)(1/6) + (2 faces)(1/2) + 3 (mid-plane interior) = 6 atoms
The coordination number (CN) = 12 atoms
Atomic Packing Factor (APF) = 0.74 (H.W.)

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 HCP Crystal Structure – cont’d
Miller-Bravais Indices for Hexagonal Unit Cells
The procedures for finding the indices of planes is exactly the same as before, but
four intercepts are required, giving indices of the form (hkil).
Directions in HCP cells are denoted with either the three-axis or four-axis system.
With the three-axis system, the procedures are the same as for conventional Miller
indices.

The four coordinate axes (a1, a2, a3 and c) of HCP crystal structure 3
 HCP Crystal Structure
Determine the Miller-Bravais indices for planes A & B and directions C & D.
Plane A 
1. a1 = a2 = a3 = ,c=1
2. 1/a1 = 1/a2 = 1/a3 = 0, 1/c = 1
3. No fractions to clear
4. (0001)
Plane B
1. a1 = 1, a2 = 1, a3 = -1/2, c = 1
2. 1/a1 = 1, 1/a2 = 1, 1/a3 = -2, 1/c = 1
3. No fractions to clear
4. (11 2 1)
Direction C
1. Two points are 0, 0, 1 and 1, 0, 0.
2. 0, 0, 1, -1, 0, 0 = 1, 0, 1
3. No fractions to clear or integers to reduce.
4. [ 1 01]
Direction D
1. Two points are 0, 1, 0 and 1, 0, 0.
2. 0, 1, 0, -1, 0, 0 = -1, 1, 0
3. No fractions to clear or integers to reduce.
4. [ 1 10 ] 4
 Close-Packed Planes and Directions

In examining the relationship between atomic radius and lattice

parameter, we looked for close-packed directions, where atoms are
in continuous contact.

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 Isotropic and Anisotropic Behavior

Because of differences in atomic arrangement in the planes and

directions within a crystal, some properties also vary with direction.
A material is crystallographically anisotropic if its properties depend on
the crystallographic direction along which the property is measured.
If the properties are identical in all directions, the material is
crystallographically isotropic.
Note that a material such as aluminum, which is crystallographically
anisotropic, may behave as an isotropic material if it is in a
polycrystalline form. This is because the random orientations of
different crystals in a polycrystalline material will mostly cancel out any
effect of the anisotropy as a result of crystal structure.
In general, most polycrystalline materials will exhibit isotropic
properties.
Materials that are single crystals or in which many grains are oriented
along certain directions (naturally or deliberately obtained by
processing) will typically have anisotropic mechanical, optical,
magnetic, and dielectric properties. 6
 Anisotropic Behavior

During deformation, grains rotate as well as elongate, causing

certain crystallographic directions and planes to become aligned
with the direction in which stress is applied. Consequently,
preferred orientations, or textures, develop and cause
anisotropic behavior.

The Young’s modulus of materials depends upon

crystallographic directions in single crystals. For example, the
Young’s modulus of iron along [111] and [100] directions is 260
and 140 GPa, respectively.

Development of texture not only has an effect on mechanical

properties but also on magnetic and other physical properties of
materials. For example, grain-oriented magnetic steels made
from about 3% Si and 97% Fe used in transformer cores are
textured via thermo-mechanical processing so as to optimize
their electrical and magnetic
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 Anisotropic Behavior – cont’d

Figure shows anisotropic behavior in a rolled aluminum-lithium sheet

material used in aerospace applications. The sketch relates the position
of tensile bars to the mechanical properties that are obtained.

For this alloy, strength is

highest parallel to the
rolling direction, whereas
ductility is highest at a 45°
angle to the rolling
direction.

The strengthening that

occurs by the
development of
anisotropy or of a texture
is known as texture
strengthening.

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Atomic Radii and Crystal Structures for 16 Metals

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 POLYMORPHISM AND ALLOTROPY

Allotropy: The characteristic of an element being able to exist in

more than one crystal structure, depending on temperature and
pressure.

Polymorphism: Compounds exhibiting more than one type of

crystal structure.

Example is found in carbon: graphite is the stable polymorph at

ambient conditions, whereas diamond is formed at extremely
high pressures.

Another example in pure iron has a BCC crystal structure at

room temperature, which changes to FCC iron at 912ºC.

Most often a modification of the density and other physical

properties accompanies a polymorphic transformation.

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 POLYMORPHISM AND ALLOTROPY – cont’d

Allotrope of pure iron

Temperature ºC Allotrope
-273 to 912 BCC – α – Fe
912 to 1394 FCC – γ – Fe
1394 to 1539 BCC – δ – Fe
Above 1539 Liquid Fe

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 POLYMORPHISM AND ALLOTROPY – cont’d
EXAMPLE

Calculate the percent volume change as zirconia ZrO2

transforms from a tetragonal to monoclinic structure.

The lattice constants for the monoclinic unit cell are: a =

5.156, b = 5.191, & c = 5.304 Å, respectively. The angle
β for the monoclinic unit cell is 98.9º.

The lattice constants for the tetragonal unit cell are a =

5.094 and c = 5.304 Å, respectively.

Does the zirconia expand or contract during this

transformation? What is the effect of this transformation
on the mechanical properties of zirconia ceramics?

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POLYMORPHISM AND ALLOTROPY – cont’d

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 POLYMORPHISM AND ALLOTROPY – cont’d

SOLUTION
The volume of a tetragonal unit cell is given by
V = a2c = (5.094)2 (5.304) = 137.63 Å3.
The volume of a monoclinic unit cell is given by
V = abc sin β = (5.156) (5.191) (5.304) sin(98.9) = 140.25 Å3.
Thus, there is an expansion of the unit cell as ZrO2 transforms from
a tetragonal to monoclinic form.
The percent change in volume
= (final volume - initial volume)/(initial volume) x 100
= [(140.25 - 137.63 Å3)/137.63 Å3 ]* 100 = +1.9%.

Most ceramics are very brittle and cannot withstand more than a 0.1% change in
volume. The conclusion here is that ZrO2 ceramics cannot be used in their
monoclinic form since, when zirconia does transform to the tetragonal form, it will
most likely fracture.

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