Lecture 12

Defects in Crystals

12 September 2022

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Free energy change on formation of vacancies

Enthalpy and entropy change as

shown in the figure.

For some number of vacancies

n = nequilibrium, the free energy reaches
a minimum.

To know nequilibrium,

∆
We set

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What does this mean in physical terms?

N = total number of atoms 𝒇

n = number of vacancies

• n/N, the fraction of vacancies, increases exponentially with temperature.

• And
• A material that has stronger bonds, i.e. higher 𝒇 (hence a higher melting
point) will have lower vacancy concentration at a given T.

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Some actual data

Element Melting ∆Hf n/N n/N n/N

Point @0K @ 300 K @ 900 K

Ni 1452 oC 168 kJ/mol 0 5.59 × 10−30 1.78 × 10−10

Al 661 oC 68 kJ/mol 0 1.45 × 10−12 1.12 × 10−4

For example, vacancies are important in

• Diffusion
• High temperature deformation

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Self interstitials

• Self-interstitials are atoms that

are crowded into the interstices
in a crystal.
• Since the lattice strain is large,
such defects are much lower in
numbers than vacancies.
• Can be formed after irradiation,
e.g. high energy neutrons.
• A collision with a high energy
neutron can generate 100-200
self-interstitials.

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Impurities

• The lattice may also contain

impurities in the substitutional
and interstitial sites as
discussed in previous lectures.

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Line Defects (Dislocations)

• The concept of the dislocation was developed independently by Orowan, Taylor

and Polanyi in 1934 in order to explain an important observation about the plastic
deformation of a crystalline material:
• The stress required to plastically deform a crystal is much less than the stress
calculated assuming a defect-free crystal structure.

Hence, it was postulated that there must be some imperfections in the crystal,
which lower the stress required to deform the crystal.

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Early indications supporting the lattice disturbance theory

Crystals with dislocations can

show “etch pits” when exposed
to a chemical.

Preferential attack at regions of

“disturbance”

Reed Hill, Physical Metallurgy Principles

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View of a perfect crystal

• An example of a perfect
crystal.
• We are viewing the face
of the crystal showing
arrangement of atoms.

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View of an imperfect crystal
The idea of an “extra-half plane” and the edge dislocation

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Why is it called a line defect?

Note that well away from the plane AB, the

interatomic spacing is ”a”. ≈a

The “zone of distortion” is focused only around the

edge of the extra half plane.

A B
This edge of the extra half-plane
(perpendicular to the plane of the paper) is a
line running through the crystal, almost like a
thread or a thin wire.

This is called the edge dislocation, a line a

≈a
defect!

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An Illustration of the Edge Dislocation: the slip-based definition Extra Half Plane

B A B
A

a Missing half plane

a

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