MKT1122 MATERIALS SCIENCE

Lecture 3
(Crystal Defects)

Umut Karagüzel

Yıldız Technical University

Mechatronics Engineering Department
Up to now it is assumed that perfect order exists
throughout crystalline materials on atomic scale (Ideal
Crystal Structure).

However, such an idealized solid does not exist in reality

and they contain various defects or imperfections (Real
Crystal Structure).

• Point defects (at atomistic level and associated with one

or two atomic positions),
• Linear defects (or one-dimensional) defects,
• Interfacial (surface) defects, (or two-dimensional
imperfections).
 A. Point Defects

i. For pure metals

1. Vacancies
2. Self-Interstitial Atoms

Vacancy (vacant lattice site) occurs when an atom is missing in

normally occupied site of lattice.
Self-Interstitial Atom is an atom from the crystal that is placed into
an interstitial site.
Number of vacancies (Nv) depends on and increases with temperature
according to:

(Note: This is a typical

Arrhenius type equation!!!)

Where;

N the total number of atomic sites in the lattice,

Qv the activation energy required for the formation of a vacancy,
T the absolute temperature in K and
K the Boltzmann’s constant (1.38 x 10-23 J/atom K, or 8.62 x 10-5
eV/atom K)

The number of vacancies increases exponentially with temperature.

(K = oC + 273)
Gas Constant R = 8.31 J/mol.K (multiplication of k is by Avogadro’s No)
 ii. For Alloys (or impure metals)
1. Interstitial Foreign Atoms
2. Substitutional Atoms
3. Vacancies also...
Solvent
Atoms

The addition of impurity atoms to a metal will result in the formation of a

solid solution.
Solvent represents the element or compound that is present in the
greatest amount (host atoms) in the crystal.

Solute is used to define an element or compound that is present in a

minor concentration in the crystal.
For interstitials, impurity (foreign) atoms fill the voids or interstitial
sites among the host atoms.
For metallic materials, the interstitial positions small and the atomic
diameter of an interstitial impurity atom is smaller than that of the
host atoms.
Thus, the maximum allowable concentration of interstitial impurity
atoms is very low. (Example: C or N atoms in Fe lattice...)

For substitutionals, solute or impurity atoms replace or substitute

for the host atoms.

Several features of the solute and solvent atoms determine the

degree of dissolving one in the other.
In order to have complete dissolution (i.e. one dissolves in the
other’s lattice completely) of one element (solute) in the crystal
lattice of the other element (solvent), Hume-Rothery Rules must
be fulfilled.
 Hume-Rothery Rules

1. Atomic size:
The difference in atomic radii between solute and solvent atom
must not be higher than ± 15 %.
2. Crystal structure:
For appreciable solid solubility the crystal structures for metals of
both solute and solvent atoms must be the same.
3. Electronegativity:
The elecronegativities of solute and solvent atoms should be close
to each other.
4. Valences:
Solvent metal should have high valency.
5. Density:
The density of solute and solvent elements should be near to each
other.
• If all criteria above are fully satisfied, an element can be
dissolved in another element’s lattice completely (i.e. up to
99%). Then, complete dissolution occurs. (Example: Cu in
Ni)

• If at least one of them is violated partial dissolution is

maintained (i.e. maximum solubility of 14 % of one in the
other). (Example: Si (hcp) in Al (fcc))

• When all criteria are violated, then no dissolution occurs.

(Example: Sn in Fe)
 B. Linear Defects (Dislocations)

A dislocation is linear or one-dimensional defect around which

some of the atoms are misaligned. They are very important in
explaining the mechanical behavior of materials.

Dislocations are developed;

a. during solidification and
b. during plastic deformation of crystals.

1. Edge Dislocations:

An extra portion of a plane of atoms, or an extra half-plane is

taking place above a slip plane of a crystal lattice. This is also
termed the dislocation line and it is perpendicular to the plane
of the page.
 Compression Zone

Slip Plane

Tension Zone

3-D View of an Edge Dislocation

 Burgers Vector
Atoms belong to
b Extra Half Plane

Positive
Edge D. Slip
Sign Plane

2-D View of an Edge Dislocation

 (+) Positive Edge Dislocation

Extra Half-Plane (-) Negative Edge Dislocation

Slip Plane
Extra Half-Plane

Questions:
• What does it happen if one (+) and one (-) edge
dislocation are situated one on top of the other???
• Is there any linear defect any more???
 2. Screw Dislocations:

Unslipped Slipped portion of

portion of the the crystal block
crystal block

Shear stress, τ

Screw dislocation is formed by a shear stress that is applied to produce

the distortion. The upper front region of the crystal is shifted one atomic
distance (at least) to the right relative to the bottom block of the crystal.
 3. Mixed Dislocations

3-D Model Of Mixed

Dislocations

EDGE
SCREW

Dislocations found in crystalline materials, which are neither

pure edge nor pure screw types, but exhibit components of both.

The magnitude and direction of the lattice distortion associated

with a dislocation is expressed in terms of a Burgers vector,
denoted by b.
• For an edge dislocation, Burgers vector is perpendicular to
dislocation line, for a screw dislocation Burgers vector is
parallel to dislocation line.

• They are neither perpendicular nor parallel for a mixed

dislocation and the dislocation line is generally has a
curvature character.

• For metallic materials, the Burgers vector for a dislocation will

point in a close-packed crystallographic direction and will
be of magnitude equal to the interatomic spacing.

• The permanent (plastic or irreversible) deformation of most

crystalline materials is a result of displacement of atoms
which is generated by the motion of dislocations in the
crystal lattice.
 c. Planar (Surface) Defects

• The most important planar defects are grain boundaries.

• Grain boundary is the boundary separating two grains or crystals
having different crystallographic orientations.
• Within the boundary region, which is probably just several atom
distances wide, there is some atomic mismatch in a transition from
the crystalline orientation of one grain to that of an adjacent one.

Grain
B

Grain Grain Boundries

A
Grain
C
The atoms are bonded less regularly along a grain boundary
causing increase in grain boundary energy. The magnitude of this
energy is a function of the degree of misorientation. High for
large distortions.

Grain boundaries are chemically reactive more than the grains

themselves as a consequence of their high boundary energy.

Twin boundary is another surface

defect. There is specific mirror
lattice symmetry; that is, atoms on
one side of the boundary are Twin
Boundary
located in mirror-image positions
of the atoms on the other side.
It occurs generally at low
temperatures, under sudden
loading conditions and after
annealing heat treatments.
 Principles of Microscopy

The grains (individual crystals) have microscopic dimensions with

diameters on the order of micrometers. Details of microstructures
are investigated by microscopy techniques using different types of
microscopes.
• Grain size,
• Shape and
• Constituents are the characteristics of microstructures.

Only the surface is subject to observation. Light (optical)

microscope is used in a reflecting mode. Contrasts in the image
produced result from differences in reflectivity of the various
regions of the microstructure.
 Grains
Image in the
Grain Boundaries microscope

Lens

Sent Beam
Reflected Beam
Specimen

Steps in optical microscopy:

• Clean and polish the surface of specimen
• Etch by a chemical reagent (mostly diluted acidic solutions) to
generate differences on the surface of specimen due to the presence of
grains, phases (if any) and grain boundaries.
• Place the specimen on an optical microscope and investigate.
• Take a photo (photomicrograph) of the microstructure (if needed).
 Microstructure of a single phase Microstructure of a multi phase
metal (or alloy) alloy

• The upper limit to the magnification possible with an optical microscope

is approximately 2000x (mostly below than 1000x!). Some structural
elements are too fine or small and can not be observed by using optical
microscopy.
• In order to examine microstructures consisting very small details (like
dislocations) the electron microscopes (TEM, SEM...), which is capable
of magnifications up to 1,000,000x may be employed.
 ASTM Grain Size Number

For each grain size a number is assigned ranging from 0 (coarsest) to

14 (finest). These numbers are known as ASTM Grain Size Number.
ASTM Grain Size No. can be calculated by the expression below:

N average number of grains per square inch at a magnification of 100x,

n ASTM Grain Size Number
In order to predict the average value of grain diameter
following empirical relationship may be used:

ASTM grain size No Average Grain Diameter (μm)

0 359
1 254
2 180
3 127
4 90
5 64
6 45
7 32
8 22.4 Range of most
commercial metals
9 15.9
and/or alloys
10 11.2
11 7.94
12 5.61
13 3.97
14 2.81