Imperfections in Solids

Generally, an idealized solid (perfect order exists throughout crystalline material) i.e., real
perfect crystal does not exist; all contain large numbers of various defects or imperfections.
Many of the important properties of materials are due to the presence of these imperfections.

Defects may be classified into four categories

Point defects:
atoms missing or in irregular places in the lattice (vacancies, interstitials, impurities)

Linear defects
groups of atoms in irregular positions (e.g. screw and edge dislocations)

Planar defects
the interfaces between homogeneous regions of the material (grain boundaries,
external surfaces).

Volume defects
extended defects (pores, cracks)
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Point Defects

Vacancies
vacant atomic sites in a structure.

Self-Interstitial atoms (SIA)

"extra" atoms positioned between atomic sites.

Leads to distortion of planes

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Point Defects - Equilibrium Concentration

The equilibrium number of vacancies for a given quantity of material depends on and
increases with temperature according to

Qv
N v = N exp

kT
N is the total number of atomic sites,
Qv is the energy required for the formation of a vacancy,
T is the absolute temperature in kelvins, and
k is the gas or Boltzmanns constant, where k is 1.38 x 10-23 J/atomK, or 8.62 x10-5 eV/atomK, depending
on the units of Qv

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Point Defects - Equilibrium Concentration

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Point Defects - Impurities in Solids

Most familiar metals are not highly pure;
rather, they are alloys, in which impurity atoms have been added intentionally to impart specific
characteristics to the material.
The addition of impurity atoms to a metal will result in the formation of a solid solution and/or a
new second phase
Impurity point defects are found in solid solutions, of which
there are two types:
substitutional solid solutions: solute or impurity atoms
replace or substitute for the host atoms. Eg. Cu in Ni
interstitial solid solutions: impurity atoms fill the voids or
interstices among the host atoms. Eg. C in Fe
If the substitutional atom is smaller then the original atom then the
lattice is in tension. If the substitutional atom is larger then the original

solute

atom then the lattice is in compression

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Point Defects Ionic Solids

atoms exist as charged ions, when defect structures are considered, conditions of
electroneutrality must be maintained.

Schottky Defect
cation vacancy and
anion vacancy pair

Frenkel Defect
cationvacancy and
cationinterstitial pair

Electroneutrality is the state that exists when there are equal numbers of positive and negative charges from the ions
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Point Defects - Specification of Composition

Express the composition of an alloy in terms of its constituent elements.
The two most common ways to specify composition are
weight (or mass) percent is the weight of a particular element relative to the total alloy weight.
For an alloy that contains two hypothetical atoms denoted by 1 and 2, the concentration of 1 in
wt%, C1, is defined as

m1
C1 =
100
m1 + m2

atom percent is the number of moles of an element in relation to the total moles of the elements
in the alloy. Concentration in terms of atom percent of element 1 in an alloy containing
element 1 and element 2 atoms, C1` is defined by

nm1
`
100
C1 =
nm1 + nm 2
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nm1 =

m`

mass (in grams)

A1

atomic weight

Composition Conversions (for a two-element alloy)

Conversion of weight percent to atom percent

Conversion of atom percent to weight percent

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Point Defects - Specification of Composition

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Linear Defects - Edge Dislocations

A dislocation is a linear or one-dimensional defect around which some of the atoms are
misaligned. charaterized by a vector in the lattice called the Burgers vector b, a crystal
vector, [uvw], which is a measure of the distortion of the lattice around the defect.

An extra portion of a plane of atoms, or halfplane, the edge of which terminates within
the crystal. This is termed an edge
dislocation.

the line that is defined along the end of the

extra half-plane of atoms is sometimes
termed the dislocation line, which, for the
edge dislocation in Figure, is perpendicular
to the plane of the slide.

b to dislocation line
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Linear Defects - Screw Dislocations

Screw Dislocation: The trace of the atomic planes around the screw dislocation makes a
spiral or helical path (shade) like a screw and hence, the name.

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Dislocation LOOP

What about the

intermediate regions?

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Linear Defects - Mixed Dislocations

Burger vector and dislocation line neither parallel, antiparallel, or perpendicular

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Linear Defects - Dislocations

one-dimensional defects

Edge dislocation

b to dislocation line

Screw dislocation

b II to dislocation line

Mixed dislocation

b to dislocation line
b II to dislocation line
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motion of an edge dislocation - shear stress

Atomic rearrangements that accompany the motion of an edge dislocation as it moves in

response to an applied shear stress.
a) The extra half-plane of atoms is labeled A.
b) The dislocation moves one atomic distance to the right as A links up to the lower portion of
plane B; in the process, the upper portion of B becomes the extra half-plane.
c) A step forms on the surface of the crystal as the extra half-plane exits.
d) The process by which plastic deformation is produced by dislocation motion is termed slip;
the crystallographic plane along which the dislocation line traverses is the slip plane
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Macroscopic deformation

The formation of a step on the surface of

a crystal by the motion of

(a) an edge dislocation and

(b) a screw dislocation.
for an edge, the dislocation line moves in the
direction of the applied shear stress;
for a screw, the dislocation line motion is
perpendicular to the stress direction.

However, the net plastic deformation for the

motion of both dislocation types is the same
The number of dislocations, or dislocation density in a material, is expressed as the total
dislocation length per unit volume or, equivalently, the number of dislocations that intersect a unit
area of a random section
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Dislocation motion

Dislocation motion is analogous to the mode of locomotion employed by a caterpillar

Incrementally breaking bonds

If dislocations don't move, deformation doesn't happen! (But fracture will, like in ceramic)

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Characteristics of Dislocations

Some atomic lattice distortion exists around

the dislocation line because of the presence
of the extra half-plane of atoms.

As a consequence, there are regions in

which compressive, tensile, and shear
lattice

strains

are

imposed

on

the

neighboring atoms

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Slip Systems

Dislocations do not move with the same degree of ease on all crystallographic planes of
atoms and in all crystallographic directions.

Ordinarily there is a preferred plane, and in that plane there are specific directions along
which dislocation motion occurs. This plane is called the slip plane; it follows that the
direction of movement is called the slip direction.

This combination of the slip plane and the slip direction is termed the slip system.

Slip occurs along <110> type directions within the
{111} planes, as indicated by arrows in Figure.

{111} and <110> represents the slip system for
FCC.

A given slip plane may contain more than a single
slip direction.

Thus, several slip systems may exist for a

For face-centered cubic, there are 12 slip

particular

crystal

systems: four unique {111} planes and, within

independent slip systems represents the different

each plane, three independent directions.

possible combinations of slip planes and directions.

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structure;

the

number

19

of

Interfacial Defects

Interfacial defects are boundaries that have two dimensions and normally separate
regions of the materials that have different crystal structures and/or crystallographic
orientations.

These imperfections include external surfaces, grain boundaries, phase boundaries,

twin boundaries, and stacking faults.

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Interfacial Defects
External Surfaces

One of the most obvious boundaries is the external surface, along which the crystal
structure terminates.

Surface atoms are not bonded to the maximum number of nearest neighbors, and are
therefore in a higher energy state than the atoms at interior positions. The bonds of these
surface atoms that are not satisfied give rise to a surface energy, expressed in units of
energy per unit area (J/m2).

To reduce this energy, materials tend to minimize, if at all possible, the total surface area.
For example, liquids assume a shape having a minimum areathe droplets become
spherical. Of course, this is not possible with solids, which are mechanically rigid.

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Interfacial Defects
Grain Boundaries

In polycrystalline material some atomic

mismatch

in

transition

from

the

crystalline orientation of one grain to that

of an adjacent one.

Various

degrees

of

crystallographic

misalignment between adjacent grains

are possible.

When this orientation mismatch is slight,

on the order of a few degrees, then the
term

small-

(or

low-)

angle

grain

boundary is used
low density in grain boundaries
leading high mobility, high diffusivity,
high chemical reactivity
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Interfacial Defects

One simple small-angle grain boundary is formed when

edge dislocations are aligned in the manner of Figure.

This type is called a tilt boundary; the angle of

misorientation (), is also indicated in the figure.

When the angle of misorientation (), is parallel to the

boundary, a twist boundary results, which can be
described by an array of screw dislocations.

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Interfacial Defects
Phase Boundaries

exist in multiphase materials, wherein a different phase exists on each side of the
boundary;

furthermore, each of the constituent phases has its own distinctive physical and/or
chemical characteristics.

phase boundaries play an important role in determining the mechanical characteristics of

some multiphase metal alloys.

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Interfacial Defects
Twin Boundaries is a special type of grain
boundary across which there is a specific mirror
lattice symmetry; that is, atoms on one side of the
boundary are located in mirror-image positions of
the atoms on the other side.
The region of material between these boundaries
is appropriately termed a twin.
Twins result from atomic displacements that are produced
from applied mechanical shear forces (mechanical twins), and
also during annealing heat treatments following deformation (annealing twins)

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Bulk or Volume Defects

Other defects exist in all solid materials that are much larger.

include pores,

cracks,

foreign inclusions, and

other phases.

They are normally introduced during processing and fabrication steps.

Casting blow holes, porosity Gas entrapment during melting and pouring. Improper
welding parameters/practice

Shrinkage cavity due to improper risering

Non-metallic inclusions Slag, oxide particles or sand entrapment

Cracks Uneven heating/cooling, thermal mismatch, constrained expansion/contraction

all leading to stress development

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Microscopic Examination

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Grain Size Determination

The grain size is often determined when the properties of a polycrystalline material are
under consideration.

Grains are classified based on the size (i) Coarse Grain (ii) Fine grain

The ASTM (American Society for Testing and Materials) has prepared several
standard comparison charts, all having different average grain sizes. To each is assigned
a number ranging from 1 to 10, which is termed the grain size number. (Coarse 1-5 and
fine 5-8.)

The number is derived from the formula

n = 2N-1
where n = the number of grains per square inch at 100X magnification
N = ASTM Grain Size number

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Grain Size Determination

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Summary
Vacancies and Self-Interstitials

Point defects are those associated with one or two atomic positions; these include vacancies (or vacant lattice
sites) and self-interstitials (host atoms that occupy interstitial sites).

The equilibrium number of vacancies depends on temperature according to Equation.

Impurities in Solids

An alloy is a metallic substance that is composed of two or more elements.

A solid solution may form when impurity atoms are added to a solid, in which case the original crystal structure
is retained and no new phases are formed.

For substitutional solid solutions, impurity atoms substitute for host atoms.

Interstitial solid solutions form for relatively small impurity atoms that occupy interstitial sites among the host
atoms.

For substitutional solid solutions, appreciable solubility is possible only when atomic diameters and
electronegativities for both atom types are similar, when both elements have the same crystal structure, and
when the impurity atoms have a valence that is the same as or less than the host material.

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Summary
Specification of Composition

Composition of an alloy may be specified in weight percent (on the basis of mass fraction) or atom percent (on
the basis of mole or atom fraction).

Expressions were provided that allow conversion of weight percent to atom percent and vice versa.

Computation of average density and average atomic weight for a two-phase alloy are possible using other
equations.

DislocationsLinear Defects

Dislocations are one-dimensional crystalline defects of which there are two pure types: edge and screw.
An edge may be thought of in terms of the lattice distortion along the end of an extra half-plane of atoms.
A screw is as a helical planar ramp.
For mixed dislocations, components of both pure edge and screw are found.

The magnitude and direction of lattice distortion associated with a dislocation are specified by its Burgers
vector.

The relative orientations of Burgers vector and dislocation line are (1) perpendicular for edge, (2) parallel for
screw, and (3) neither perpendicular nor parallel for mixed.

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Summary
Interfacial Defects

Within the vicinity of a grain boundary (which is several atomic distances wide), there is some atomic mismatch
between two adjacent grains that have different crystallographic orientations.

For a high-angle grain boundary, the angle of misalignment between grains is relatively large; this angle is
relatively small for small-angle grain boundaries.

Across a twin boundary, atoms on one side reside in mirror-image positions of atoms on the other side.

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Equation Summary

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