MATERIAL SCIENCE AND

ENGINEERING
Defects
Engr. Joseph Benedict N. Prim
Defects
Objectives
• Describe both vacancy and self-interstitial crystalline defects
• Calculate the equilibrium number of vacancies in a material at some
specified temperature, given the relevant constants
• For each of edge, screw and mixed dislocations:
a. describe and make a drawing of the dislocation
b. note the location of the dislocation line
c. indicate the direction along which the dislocation line extends
• Describe the atomic structure within the vicinity of:
a. a grain boundary
b. a twin boundary
Outline
1. Reasons for studying imperfections in solids
2. Point defects
3. Impurities in Solids
4. Solid Solutions
5. Linear Defects
6. Inter-facial Defects
7. Bulk or Volume defects
Defects: Imperfections in Solids
Reason for studying Imperfections in Solids

It is important to specify impurity concentration in appropriate units.

Development of the desirable mechanical properties for steel alloys relies

on the presence of specific impurities

The mechanisms of hardening and strengthening for steel alloys involve a

crystalline defect called a dislocation
Imperfection
A deviation from perfection; normally applied to crystalline materials
wherein there is a deviation from atomic/molecular order and/or
continuity

Crystalline Defect
lattice irregularity having one or more of its dimensions on the order of an
atomic diameter
Defects
Defects have a profound impact on the macroscopic
properties of materials

Bonding
+
Structure Properties
+
Defects
 Defects
Bonding Composition Crystal Structure

Processing
Thermo-Mechanical
determines the
Processing
defects

Defects introduction and manipulation

Microstructure
Classification of Crystalline Imperfections
According to geometry or dimensionality of the defect

1. Point defect (one or two atomic positions)

– Vacancies
– Interstitials
– Impurities (weights and atomic composition)
2. Linear Defects (one dimensional)
– Edge dislocations
– Screw dislocations
3. Inter-facial defects or Grain Boundaries (two dimensional)
– Tilt
– Twist
4. Bulk or volume defects
Point Defects
Vacancies and Self-Interstitial
Vacancy
The simplest of the point defects
A normally occupied lattice site from which an atom (or ion) is
missing

The presence of vacancies increases the entropy (i.e. randomness) of

the crystal
Vacancy
From the density formula

The number of atomic sites per unit volume

NAρ
N=
A
Vacancy
Equilibrium number of vacancies Nv
Qv
Nv = N e kT

Where:
Nv - equilibrium number of vacancies
N - number of atomic sites per unit volume
Q - energy required for the formation of the vacancy
T - absolute temperature in K
K - gas or Boltzman's constants. (The value of k is 1.38x10-23
J/atom K, or 8.62x10-5 eV/atom K, depending on the units of Q )
v
Example 1
Calculate the equilibrium number of vacancies per cubic
meter for copper at 270C. The energy for vacancy formation
is 0.9 eV/atom; the atomic weight and density are 63.5
g/mol and 8.4 g/mol respectively.

Ans. 6.14 x107 vacancies /m3

Self-Interstitial
An atom from the crystal that is crowded into an interstitial
site, a small void space normally unoccupied

A host atom or ion that is positioned on an interstitial lattice

site.
Self-Interstitial
• Introduces large distortions in the surrounding lattice – the energy of
self-interstitial formation is approximately 3 times larger as compared
to vacancies
Impurities
Atoms which are different from the host atom
1. Interstitial impurities

2. Substitutional impurities
Effects of Point Defects
• The arrows shows the stress
introduced by point defects to the
surrounding atoms
Impurities in Solid
Impurities in Solids
A pure metal of only one type of atom is not possible.
Impurities or foreign atoms will always be present.

Alloys
Impurity atoms have been added intentionally to impart
specific characteristics to the material.
Ordinarily, alloying is used in metals to improve mechanical
strength and corrosion resistance.
Solid Solutions
Solid Solutions
Is the result with the addition of impurity atoms to a metal.
Composed of the host atom (solvent or matrix) which
dissolves the minor component (solute).
Also referred to as second phase.
Depends on:
1. kinds of impurities
2. concentration
3. temperature
4. pressure
The ability to dissolve is called solubility.
Solid Solutions
Solvent
Represents the element or compound that is present in the
greatest amount.
Also referred to as the host atoms.

Solute
Denotes the element of compound present in minor
concentrations.
Solid Solutions
Solid solutions are formed when solute atoms are added to
the host material.
The crystal structure is maintained and no new structures
are formed.
Compositionally homogeneous throughout.

The impurity atoms are randomly and uniformly dispersed

within the solid. Impurity atoms can be substitutional or
interstitial.
Substitutional Solid Solution
Solute or impurity atoms replace or substitute for the host
atom.
Factors for high solubility
1. Atomic Size Factor
Appreciable quantities of solute may be accommodated in this
in this type of solid solution only when the difference in
atomic radii between the two atoms is less that around ±15%.
If greater than that the solute atoms will create substantial
lattice distortions and a new phase will form.

2. Crystal Structure
Both atom types must be the same.
Factors for high solubility
3. Electronegativity
The electronegativities of both solute and solvent must be
comparable. (Otherwise inter-metallic phase will be
formed)
4. Valences
With other factors constant, a metal will have greater
tendency to dissolve another metal of higher valency.
Example
Copper & Nickel
Example
Copper & Nickel
Interstitial Solid Solutions
Impurity atoms fill the voids or interstices in the host atoms
Interstitial Solid Solutions
Interstitial solid solution of carbon in α – iron.
The carbon is small enough to fit in the void (or interstice)
between the host atom.
Factor for high solubility
For metallic elements that have relatively high atomic packing factors,
these interstitials are relatively small.
The atomic diameter of an interstitial impurities must be substantially
smaller than that of the host atom.
The normal maximum allowable concentration for interstitial impurity
atoms is very low, less than 10%
Should the impurity atoms be larger than the interstitial sites, it would
introduce some lattice strains on the adjacent host atoms.
Composition (Concentration) of Alloys
Specification of composition can be in weight (mass)
percent or atom percent.

Weight Percent
Used in making the solution
Composition (Concentration) of Alloys
Weight Percent (wt%)
The weight of a particular element relative to the total alloy weight.

For a two component alloy, it is

m1
C1 = x 100%
m1 + m2

Where:
C1 – concentration of element 1 in an alloy
m1, m2 – weight or mass of elements 1 and 2 respectively
Atom Percent (at%)
The numbers of moles of an element in relation to the total
moles of the elements in the alloy.
For a two component alloy, it is

nm1
C'1 = x 100%
nm1 + nm2
Atom Percent
To determine the number of moles
m'1
nm1 = x 100%
A1

Where:
nm1 – number of moles in some specified mass of a hypothetical element 1
m'1 – mass (grams)
A1 – atomic weight
Composition Conversions (for two element alloy)
Weight Percent to Atom Percent
C1A2
C'1 = x 100%
C1A2 + C2A1

C2A1
C'2 = x 100%
C1A2 + C2A1
Composition Conversions (for two element alloy)
Atom Percent to Weight Percent
C'1A1
C1 = x 100%
C'1A1 + C'2A2

C'2A2
C2 = x 100%
C'1A1 + C'2A2
Example 1
Determine the composition in atom percent of an alloy that
consists of 97 wt% aluminum and 3 wt% copper.

Aal = 26.98 g/mol

Acu = 63.55 g/mol

Ans. 98.7 at% aluminum & 1.3 at% copper

Composition Conversions (for two element alloy)
Weight Percent to Mass per unit Volume (wt% to kg/m3)
C'1A1
C1 = x 100%
C'1A1 + C'2A2

C'2A2
C2 = x 100%
C'1A1 + C'2A2
Linear Defects
Dislocations
Is a type of linear or one-dimensional defect around which some of the
atoms are misaligned.
The interatomic bonds are significantly distorted only in the immediate
vicinity of the dislocation line, referred to as the dislocation core.

They create small elastic deformations of the lattice at large distances.

Dislocations affects the mechanical properties of materials.

Burgers Vector (B)
Used to describe the size and the direction of the main lattice distortion
caused by a dislocation.
Edge Dislocations
A type of dislocation
where an extra plane of
atoms, or half plane, the
edge of which terminates
within the crystal
Edge Dislocations
The Burgers vector for edge dislocations are directed perpendicular to the
dislocation line.
They can be determined by making a circuit
from atom to atom counting the same number of
atomic distances in all directions.
The circuit which encloses a dislocation will not
close.
The vector that closes the loop is the Burgers
vector B.
Screw Dislocations
This type is parallel to the direction in which the crystal is being displaced.
Thus the Burgers vector is parallel to the dislocation line.
Screw Dislocations
They may be thought of as being formed by a shear stress that is applied
to produce the distortion.

The upper front region is shifted one

atomic distance to the right relative
to the bottom portion.
Screw Dislocations
The atomic distortion associated
with a screw dislocation is also
linear and along a dislocation line,
AB.
Screw Dislocations
The screw dislocation derives its name from the spiral or helical path or
ramp that is traced around the dislocation line by the atomic planes of
atoms.

To view an animation of screw dislocation:

http://www.phy.mtu.edu/~jaszczak/si%20seminar/screw_growth_slow.gif
Mixed Dislocations
Edge and screw dislocations are
usually extreme forms of the possible
dislocation structures.

Most dislocations
have mixed edge /
screw
characteristics.
Mixed Dislocations
For the figure below, open circles denote atom positions above the slip
plane, and solid circles are atoms positioned below.

At point A, the dislocation

is pure screw, at point B,
it pure edge.
Partial Dislocations
To add to the complexity of real defect structures, dislocations are often
split in Partial Dislocations that have their cores spread out over larger
area.
Interfacial Defects
Interfacial Defects
These are boundaries that have two dimensions and normally separate
regions of the materials that have different crystal structures and / or
crystallographic orientations.

Types of interfacial defects

1. external surfaces
2. grain boundaries
3. phase boundaries
4. twin boundaries
5. stacking faults
External Surfaces
One of the most obvious boundaries, along which the crystal structure
terminates.
Surface atoms have unsatisfied atomic bonds. That is, these atoms are not
bonded to the maximum number of nearest neighbors, resulting in a
higher energy state compared with atoms at interior positions.

The unsatisfied bonds give rise to a surface energy, γ, expressed in energy

per unit area (J/m2 or erg/cm2)
External Surfaces
To reduce this energy, materials tend to minimize.
Examples.
1. liquids assume a shape of minimum area – droplets become spherical.
2. solid surfaces can “reconstruct” to satisfy atomic bonds at the surfaces.
Grain Boundaries
Polycrystalline materials comprises of many small crystals or
grains.
The grains have different crystallographic orientations.
There exist atomic mismatches within the regions where the grains
meet. These regions are called grain boundaries.
Grain Boundaries
High and Low angle grain boundaries
Depending on the
misalignment of atomic
planes between
adjacent grains, a
distinction between low
and high angle grain
boundaries can be
observed.
Grain Boundaries
Low angle grain boundaries
When the orientation
mismatch is slight
(around a few degrees),
this is referred to as
small or low angle
grain boundary.
Grain Boundaries
Tilt boundary
A type of low angle grain boundary that is an
array of aligned edge dislocations
Considered as joint of two wedges.

The angle θ is the angle of

misorientation.
Grain Boundaries
Tilt boundary
A transmission electron microscope
image of a small angle tilt boundary in
silicon.
The red lines mark the edge
dislocations, the blue lines shows the tilt
angle.
Grain Boundaries
Twist boundary
The boundary region
consisting of arrays of
screw dislocations.

Consider a joint of two

halves of a cube an twist
an angle around the
cross-section normal.
Phase Boundaries
This type occurs in multiphase materials – wherein a different phase
exist on each side of the boundary.
Each of the phases has its own distinct physical and chemical
characteristics.
This type of defect is crucial in determining the mechanical
characteristics of some multiphase metal alloys.
Twin Boundaries
These are mirrored atomic positions across the boundary
produced by deformation of material.
Twin Boundaries
Twins result from atomic displacements that are produced form applied
mechanical shear forces (mechanical twins) and annealing heat
treatments following deformation (annealing twins).

Twinning occurs on a definite crystallographic plane and in a special

direction, both are dependent on the crystal structure.

Mechanical twins generally are found in BCC and HCP metals while
Annealing twins occur in FCC metals.
Twin Boundaries
Shape memory alloys are materials that recover their original shape
when heated at high temperature.
They twin and un-twin when deformed.
At high temperature the alloy returns back to the original twin
configuration and restore the original shape.
Bulk or Volume Defects
Bulk Defects
Occur on a much bigger scale than the rest of the crystal defects
discussed.
They do affect the movement of dislocations.
Types:
1. Pores
2. Cracks
3. Foreign Intrusion
Pores or Voids
Are regions where there are a large number of atoms missing from the
lattice.
Voids can occur for a number of
reasons.
When voids occur due to air bubbles
becoming trapped when a material
solidifies, it is commonly called
porosity. When a void occurs due to
the shrinkage of a material as it
solidifies, it is called cavitation. The image above is a void in a piece of metal The image was
acquired using a Scanning Electron Microscope (SEM).
Cracks
Are regions where there are a large number of atoms missing from the lattice.
End of Chapter 4