Imperfections PDF 1

ME2200: Materials and Design
Imperfections in Solids
Learning Objectives
1. List different types of defects in a solid
2.Calculate the equilibrium number of vacancies in a material at a specific temperature given the
relevant formation energy
3. List different types of solid solutions and give at least 5 examples for each
4. Write conditions for formation of each of the above solid solutions
5. Calculate the weight and atomic percentage of elements of an alloy
6. Draw the schematic of an edge, screw and mixed dislocation and identify Burger’s vector
7. List and draw schematics of different types of grain boundaries
8. Explain the role of grain boundaries on dislocation motion
9. Explain the strength of nano crystalline materials compared to their coarse grained counterparts
10. List different types of strengthening mechanisms
11.Plot schematic variation of tensile strength, yield strength and percentage elongation as a
function of weight percentage of alloying element Ni in Cu-Ni system
12. Derive the expression for critically resolved shear stress
Learning Objectives
1. List different types of defects in a solid

2.Calculate the equilibrium number of vacancies in a
material at a specific temperature given the relevant
formation energy
Perfect Crystals?
❖ Many a times perfection is not sought by nature!

❖ Defects in materials lead to many good things too!
Useful Imperfections
❖ Most of the metals are alloys giving desired properties

❖ Semiconductors work because of doping
Crystalline Defect
❖ Crystalline defect is a lattice irregularity with one or

more of its dimensions on the order of atomic diameter
❖ Classification of these defects/imperfections is made
based on their geometry and/or dimensionality
Defects in Crystals
❖ Crystals with perfect order do not exist!

❖ Imperfections/Defects are ubiquitous
❖ Types of Imperfections
Defects in Crystals
❖ Point defects
❖ Vacancies and Self-Interstitials
❖ Impurities (How about a pure metal?)
❖ Crystals with perfect
❖ Alloy
order don’t exist!
❖ Solid Solutions (Solvent & Solute)
❖ Imperfections/Defects ❖ Substitutional (Copper and Nickel),
are ubiquitous Interstitial (Steel)
❖ Linear defects (Dislocations)
❖ Types of Imperfections
❖ Interfacial defects
❖ External surfaces, Grain boundaries, Phase
boundaries, Twin boundaries
❖ Bulk/Volume defects (Pores, Cracks, Foreign
Inclusions)
Point Defects
Points defects in a Monoatomic Solid
❖ Vacancies are the lattice sites

where an atom would have
been present in a perfect crystal
❖ An additional atom exists at
interstitial site
❖ A pair of vacancy and
interstitial in proximity is
called Frenkel Pair.
❖ Substitutional defect: a foreign
element of larger or smaller
size at a regular atomic
position
Source: http://en.wikipedia.org/wiki/Crystallographic_defect Points defects in a Compound Solid

Point Defects
Defect free NaCl structure Frenkel defect Schottky defect
❖ Frenkel defect: Vacancy, interstetial pair

❖ Schottky defect: Pair of vacancies that have opposite
sign (cation and anion)
❖ These two defects are important in Compounds
(Ceramics and intermetallics)
Source: wikipedia
Point Defects
❖ Point defects can be created by thermal activation

❖ Creation of point defects increases the internal energy of
the crystal
❖ Then, why does nature create point defects?
Equilibrium Concentration of Vacancies
❖ Why do crystals create vacancies?

❖ Consequence of competition between probability and energy
❖ Vacancy Formation Energy
❖ Assume that the crystal is in equilibrium with vacuum
❖ Relocation of an atom from its lattice site to external surface creates a local
distortion increasing the internal energy called “vacancy formation energy” Ef
❖ Complete segregation of atoms and vacuum is not possible
❖ Competition between Ef and the probability determines the equilibrium
vacancy concentration
Concept courtesy: Zhigang Suo, Harvard University

❖ Assume- Number of Vacancies: Nv; Atoms: Na, Nv/Na << 1

❖ Total internal energy of a crystal with Nv vacancies: U = Nv*Ef
❖ Ef must be positive otherwise crystal will be full of vacancies
❖ Crystals allow vacancies to increase the entropy as perfect crystal is
perfectly ordered!
❖ Entropy S = k loge(w), where k is the Boltzman’s constant
❖ w is the number of ways we can arrange Nv in Nv+Na atomic sites
❖ w = (Nv+Na)!/(Nv!Na!)
❖ Free energy H = U - TS
❖ dH/dNv = 0 leads to the equilibrium concentration of vacancies
❖ Assume- Number of Vacancies: Nv; Atoms:

Na
❖ Total internal energy of a crystal with Nv
vacancies U = Nv*Ef
❖ Crystals allow vacancies to increase the
entropy as perfect crystal is perfectly
ordered!
❖ Entropy S = k loge(w), where k is the
Boltzman’s constant and w is the number
of ways we can arrange Nv in Nv+Na
atomic sites, i.e., w = (Nv+Na)!/(Nv!Na!)
❖ Free energy H = U - TS
Stefan Ludwig Boltzman (1844-1906)
❖ dH/dNv = 0 leads to the equilibrium Source: http://en.wikipedia.org/wiki/Ludwig_Boltzmann
concentration of vacancies
❖ loge(w) = loge((Nv+Na)!/(Nv!Na!))
❖ The above expression may be
evaluated by using stirling’s
approximation
❖ ln(x!) ~ x ln(x)-x for large x
Stirling’s Approximation
http://en.wikipedia.org/wiki/Stirling's_approximation
Entropy of mixing
Exercise
Calculate the equilibrium concentration of vacancies per cubic meter for
copper at 1000oC. The energy for vacancy formation is 0.9 eV/atom; the
atomic weight and density for copper at the above temperature are 63.5
g/mol and 8.4 g/cm3, respectively.
Number of Atomic Sites
Theoretical Shear Strength
(Frenkel Model of slip in Perfect Crystal)
𝑏
𝜏
❖ The top row will move relative to the bottom A B C
𝜏 𝑎
row when a shear stress τ is applied
❖ During deformation, the atoms pass through 𝜏

equilibrium states A, B and C (τ = 0)
𝑥
b - Burger’s vector
x - displacement
Theoretical Shear Strength (FCC)
❖ For an FCC material, the lattice constant a0, constants a and b may be
related
❖ For (111) planes in FCC, d111 = a0/√3 and this value is same as a in our
derivation
❖ τmax ≈ G/5.1
Element G (Gpa) 𝜏𝑚𝑎𝑥 (Gpa) 𝜏𝑚𝑎𝑥 /𝐺

𝑎0 √2
Iron 60.0 6.6 0.11
Silver 19.7 0.77 0.039
Gold 19.0 0.74 0.039
Copper 30.8 1.2 0.039
Tungsten 150.0 16.5 0.11
Diamond 505.0 121.0 0.24
NaCl 23.7 2.8 0.12
From A. Kelly, Strong Solids (Oxford U.K.: Clarendon Press, 1973, p.28
Exercise
Estimate the theoretical shear strength for copper and iron.
Iron E =211.4 GPa G = 81.6 GPa
Copper E = 129.8 GPa G = 43.3 GPa
Hint: Assume b = a (first approximation)

Theoretical strength is few orders of
Fe: 𝜏 max = 13.0 Gpa
magnitude larger than the actual
Cu: 𝜏max = 7.7 Gpa
strength!
WHY?
Defects?
Effect of Point Defects
❖ Intrinsic point defects exist in equilibrium concentrations
❖ Defect concentration may be increased by processing
❖ quenching, plastic deformation, and irradiation
❖ Rapid cooling from melting point (more defects)
retains the vacancies
❖ Quenching produces vacancies and vacancy groups
❖ Deformation can produce high concentrations of
vacancies and interstitials (other artefacts: dislocations)
❖ Irradiation which does not have side effects such as
production of dislocations
❖ unlike plastic deformation
❖ Mechanical Properties
❖ Radiation Damage Stress-strain curve for Al single crystal
R. Maddin and A. H. Cottrell, Quench Hardening in Aluminium
Single Crystals, Phil. Mag. 46, 735, (1955)
Radiation Damage
❖ Irradiation of solids leads to ❖ Neutron Irradiation
❖ Displaced electrons ❖ Primary collision transfers
(ionization) energy to the atomic system
❖ not important in metals ❖ displaces atom from normal
position to position between
❖ Displaced atoms by elastic
lattice sites
collision
❖ defect creation by
❖ important in metals displacements, their
❖ Fission and thermal spikes migrations and interactions
If an atom receives energy greater than Ee (effective

displacement energy), it will be displaced; at higher energies
cascading might occur
Radiation Damage
Exchange Dynamic
Frenkel Pair collisions propagation
❖ Displacement Spike: An energetic
Primary
atom displaces all atoms it knock-on
encounters
❖ If the energy is less than Ee, the Lattice
energy is imparted to chain of vacancy
P
exchange collisions Energy transport by
focusing collisions
❖ Such efficiency is higher in close
packed directions Depleted Interstitial
zone atoms
❖ Vacancies generated due to
Schematic of the damage production by radiation based on Seeger
irradiation often coalesce and form model. Ref: A. Seeger, in Proc. Symp. Radiat. Damage Solids React.,
Vol. 1, Vienna, IAEA, 1962 pp. 101, 105.
voids
Radiation Damage
❖ The voids created by radiation damage acts as

obstacles for dislocation motion leading to
hardening of metals
❖ Displacement spikes might destroy order in
alloys
❖ At low temperatures, irradiation results in
joining of vacancies and interstitials surrounded
by dislocations which impede dislocation motion
❖ Strength increases but ductility decreases J. T. A. Roberts, IEEE Trans.
Nucl. Sci., NS-22, (1975) 2219
❖ At high temperatures, vacancies coalesce and
form voids resulting in undesirable dimensional
instability
Stress–strain curves for irradiated and

unirradiated Zircaloy
Point Defects (Good side too!)
❖ Ion implantation
❖ Used for preparing semiconductor devices, altering the
composition and structure of surfaces
❖ Modify surface chemistry for better tribological application
❖ Bi+Ni+and Mo+ ions implanted into steel reduces wear of
tools by an order of magnitude
❖ Ti and B implantation on oil-burner tips improved their
erosion properties (used for injecting mixture of fuel oil and
air in boilers)
❖ Non-equilibrium process and hence no limits on solubility
Length scales of defects
Electronic Atomic point Interfacial defects

point defects defects
Line defects Volume defects
10-14 10-10 10-6 10-2 102

Dimensional scale (m)
Impurities in Solids
❖ Pure metal consisting of only one type of atom just isn’t
possible!
❖ Relatively sophisticated techniques lead to purity of
99.9999%
❖ At this level there are 1022 to 1023 impurity atoms in a
cubic meter of material
❖ Most familiar metals are not highly pure. They are
alloys
❖ Addition of impurity atom to a metal: solid solution
Solid Solutions
❖ Solvent: Element or compound that is present in

greatest amount; also called host atom
❖ Solute: Element or compound present in minor
composition
❖ A solid solution is formed when solute atoms are added
to the host material. The crystal structure is maintained
❖ Impurity point defects are observed in solid solutions
Solid Solutions
Interstitial impurity atom
❖ Solvent: Element or compound that is

present in greatest amount. Also
called host atom
❖ Solute: Element or compound present
in minor composition
❖ A solid solution is formed when
solute atoms are added to the host
material. The crystal structure is
maintained
Substitutional atom
❖ Impurity point defects are observed
in solid solutions
Solid Solutions
❖ The solubility of solute atoms depends on several factors:
❖ Atomic size factor
❖ when difference in atomic radii between two atom types < 15%
❖ otherwise substantial lattice distortion & formation of new phase
❖ Crystal structure
❖ For appreciable solid solubility, the crystal structure of both metals must
be the same
❖ Electronegativity
❖ Should be as close as possible; otherwise intermetallics will be formed
❖ Valences
❖ Metal will have more tendency to dissolve another metal of higher
valency (all other factors being equal!)
Solid Solutions (Cu-Ni)
❖ Cu and Ni are completely soluble in each other at all
proportions
❖ Substitutional solid solution
❖ Cu atomic radius: 0.128 nm and Ni atomic radius: 0.125 nm
❖ Both are FCC
❖ Electronegativity: Cu-1.9, Ni-1.8
❖ Most common valences: Cu: +1; Ni: +2
❖ Other Examples: Cu-Au, Au-Ag, Ni-Pd, Pb-Sn, Sn-Bi
Solid Solutions (Interstitial)
❖ Impurity atoms fill the voids or interstices among the
host atoms
❖ For metallic materials with very high packing factors, the
interstitial space is very less
❖ Atomic diameter of interstitial atom should be much less
compared to host atoms
❖ Maximum allowable concentration of interstitial
impurity is ~ 10%
❖ Carbon forms an interstitial solid solution when added to
Iron
Interstitial Solid Solutions (Fe-C)
❖ Carbon forms an interstitial solid solution when added

to Iron
❖ Atomic radius of C: 0.071 nm
❖ Atomic radius of Fe: 0.124 nm
❖ Maximum concentration of carbon in Fe is about 2%
❖ Interstitial site radius in BCC iron: 0.036 nm
❖ Interstitial site radius in FCC iron: 0.053 nm
Composition Specification
❖ Composition or Concentration: Relative content of a
specific element or constituent in an alloy
❖ Weight or mass percent and atom percent
❖ Weight percent (wt%): Weight of a particular element
relative to the total weight of the alloy
❖ An alloy that contains two hypothetical atoms 1 and 2
Composition Specification
❖ atom percent (at %): number of moles of an element in
relation to the total moles of the elements in the alloy
❖ Number of moles in a specified mass of a hypothetical
element 1, nm1 is given by
Composition Conversions
Composition conversions
Composition conversion
❖ Sometimes, it is necessary to convert concentration from weight
percent to mass of one component per unit volume of material
(i.e., wt % to kg/m3)
❖ Typically used in diffusion computations
❖ Concentrations in this basis will be denoted by double prime C1’’
and C2’’
Average alloy density and atomic
weight
❖ Average alloy density and average atomic weight interms
of their at % or wt % of constituents
Assumption: Total alloy volume is assumed to be

equal to the sum of the individual volumes of the
constituents
Example Problem
❖ Determine the composition in atom percent of an alloy
that consists of 97 wt% aluminium and 3 wt% copper.
Data:
ACu: 63.55 g/mol, AAl: 26.98 g/mol
Answer: 98.7% and 1.3%

Learning objectives achieved so far!
1. List different types of defects in a solid.

2.Calculate the equilibrium number of vacancies in a
material at a specific temperature given the relevant
formation energy.
3.List different types of solid solutions and give at least 5
examples for each.
4.Write conditions for formation of each of the above solid
solutions.
5.Calculate the weight and atomic percentage of elements
of an alloy.
LOs- Line Defects (Dislocations)
1.Draw the schematic of an edge, screw and mixed dislocation and
identify Burger’s vector
2. List and draw schematics of different types of grain boundaries
3. Explain the role of grain boundaries on dislocation motion
4.Explain the strength of nano-crystalline materials compared to
their coarse grained counterparts
6.Plot schematic variation of tensile strength, yield strength and
percentage elongation as a function of weight percentage of
alloying element Ni in Cu-Ni system
7. Derive the expression for critically resolved shear stress
Line Defects or Dislocations
❖ Stress required to plastically deform a crystal is much

less than the stress calculated for a perfect crystal
❖ After plastically deforming, a material requires higher
stress to subsequent deformation (work hardening!)
❖ Concept of dislocation was invented by Orowan, Taylor
and Polanyi in 1934
❖ First experimental observation in 1947
Defects in a Bubble Raft
https://www.doitpoms.ac.uk/tlplib/dislocations/index.php
Slip by glide of plane of atoms
https://www.doitpoms.ac.uk/tlplib/dislocations/dislocation_glide.php
Slip by dislocation motion
https://www.doitpoms.ac.uk/tlplib/dislocations/dislocation_glide.php
Stress required for slip
❖ Shear stress required for slip by gliding plane of atoms
is the theoretical shear strength calculated earlier
𝐺𝑏
𝜏max =
2𝜋𝑎
❖ Shear stress required for slip by dislocation motion
(Peierls-Nabarro stress)
2𝜋𝑎
𝜏𝑝 = 𝐺 exp −
(1 − 𝜈)𝑏
❖ For burger’s vector (b) = dislocation width (w), τp has
maximum value This value is much smaller
than theoretical shear
strength
How does a Caterpillar Move?
https://www.youtube.com/watch?v=vm4EgwOjzNY
Dislocations (Line Defects)
Atomic arrangements that accompany motion of dislocations

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition
Dislocations
Analogy between caterpillar and dislocation motion

Bubble Raft (Closed Packed Directions)
http://www.doitpoms.ac.uk/tlplib/dislocations/dislocation_motion.php
Bubble Raft (Motion of dislocation under compression-
tension cycles)
Bubble Raft (Motion of dislocation under shear stress)
Dislocations
❖ Edge dislocation
❖ Dislocation line moves in the
direction of the applied
shear stress.
❖ Screw dislocation
❖ Dislocation line moves in the
direction perpendicular to
the applied shear stress.
❖ Note that the net plastic
deformation in both the cases
is the same.

Volterra Dislocations
Edge Dislocation Screw Dislocation

Burgers Vector
Source: wikipedia
Burgers vector
❖ The magnitude and direction of the lattice
distortion associated with a dislocation is
expressed in terms of a Burgers vector
❖ The nature of a dislocation is defined by the
relative orientation of dislocation line and
burger’s vector
Jan Martinus Burger
❖ For metals, the Burgers vector will point in
close-packed direction with a magnitude equal
to the interatomic spacing.
❖ Dislocation density: Total length of dislocations
per unit volume of material
3
❖ Carefully solidified metals: 10 mm/mm
3
❖ Heavily deformed metals: 10 -10

9 10 mm/mm3
Gerard Wilhelm Burger
Source: wikipedia
TEM image of dislocations in a Titanium alloy
Magnification:
51450X

Screw Dislocation
❖ Upper front region of

the crystal is shifted by
F
one atomic distance to S
the right relative to the
bottom portion.
❖ A screw dislocation is
designated by the
symbol ↺

Screw Dislocation
❖ Dislocation line extends
along the line AB
❖ open circle: plane above
❖ solid circle: plane below
❖ Burger’s vector is parallel to
dislocation line in screw type
❖ Burger’s vector is
perpendicular to dislocation
line in edge type

Mixed Dislocation
Note: The dislocation may change its nature within the crystal, but the Burgers vector remains the same.

Characteristics of Dislocations
❖ Plastic deformation in metals
leads to increase in internal
energy and dissipation as heat
❖ Strain energy associated with
dislocations
❖ Tensile, Compressive and shear
lattice strains for edge dislocations
❖ Screw dislocations have shear
lattice strains only Regions of compression and tension
located around an edge dislocation
❖ Lattice distortions as strain fields
emanating from dislocation line
Materials Science and Engineering: An Introduction
by William D. Callister, 8th edition
Characteristics of Dislocations
❖ Two dislocations having same sign
and identical slip plane repel each
other
❖ Two dislocations of opposite sign and
same slip plane attract each other
❖ Dislocation annihilation
❖ Dislocations may interact
❖ During plastic deformation, the
dislocation density increases
drastically (density in deformed
metals ~ 1010 mm-2)
❖ Strain fields and associated forces —>
strengthening mechanisms
Slip Systems
❖ Dislocations prefer to move in
preferred planes (slip plane)
along a preferred direction (slip
direction)
(111)
❖ Slip system: combination of slip
plane and slip direction
❖ Slip system depends on crystal
structure
❖ The choice is such that the
atomic distortion due to
dislocation motion in minimum
Slip along close packed direction
I II III IV I II III IV
1 3 𝑑1
1 2 3 4 2 4
|𝒃 | = 𝑑 2
𝐸∝ 𝒃
I II I II
1 2 1 2 𝑑2
𝒃 = √2𝑑 𝐸 ∝ |𝒃|2 = 2𝑑 2 𝑑1 > 𝑑2
Source: Anthony R West, Solid state chemistry and its applications, second edition
Why dislocations prefer closely packed planes?
❖ Dislocations prefer to move in closely packed planes

along closely packed directions as the interatomic
spacing in the plane is small. As a consequence, the
inter planar spacing is larger which eases the atomic
motion.
Slip Systems
Metals Slip Plane Slip Direction Number of Slip
Systems
FCC
Cu, Al, Ni, Ag, Au {111} <11ത 0> 12
BCC
𝛼 − Fe, W, Mo {110} <1ത 11> 12
𝛼 − Fe, W {211} <1ത 11> 12
𝛼 − Fe, K {321} <1ത 11> 24
HCP
Cd, Zn, Mg, Ti, Be {0001} <112ത 0> 3
Ti, Mg, Zr {101ത 0} <112ത 0> 3
Ti, Mg {101ത 1} <112ത 0> 6
Burgers Vector
❖ Burgers vector denoted by b represents the dislocation slip
direction and the magnitude is equal to unit slip distance
(inter-atomic separation in the direction)
❖ Direction and magnitude of b depends on crystal structure
Slip in Single Crystals
❖ Edge, Screw and mixed dislocations move in response to
applied shear stress
❖ Even the applied stress is tensile, shear components exist at
some alignments to applied stress direction called resolved
shear stress
❖ Resolved shear stress depends on applied stress,
orientation of slip plane and slip direction
❖ Slip occurs when the shear stress acting in the slip direction
exceeds a critical value
❖ Φ is the angle between the normal to the slip
plane and loading axis
❖ λ is the angle between slip direction and
loading axis
❖ Area of the slip plane = A/cos Φ
❖ Component of the force along slip direction =
F cos λ
❖ The resolved shear stress on the slip plane
Resolved force acting on the slip plane
𝜏𝑟 =
Area of the slip plane

𝐹 cos𝜆 𝐹
❖ 𝜏𝑟 = 𝐴 = cos𝜙 cos 𝜆 = 𝜎 cos 𝜙 cos 𝜆
𝐴
cos𝜙
❖ Schmid’s Law: The value of τr at which slip occurs in

a given material with specified dislocation density
and purity is a constant, known as the critical
resolved shear stress τcrss
❖ Metallic single crystals have several slip systems
and the resolved shear stress may be different
for each case
❖ Generally, there will be one most favourably
oriented system, resulting in largest resolved
shear stress
❖ (τr)max = (σ cosΦ cosλ)max
❖ Slip commences along most favourably oriented slip
system when the resolved shear stress reaches a
critical value called critical resolved shear stress (τcrss)
❖ Critically resolved shear stress is the minimum shear
stress required to initiate slip (property of the
material)
❖ A single crystal plastically deforms or yields if (τr)max =
τcrss
Minimum stress for yielding

Slip in single crystal Zinc
Slip in a zinc single crystal.

(From C. F. Elam, The
Distortion of Metal Crystals,
Oxford University Press,
London, 1935.)
Exercise
A tensile stress along [010] direction is applied on a single crystal of BCC iron.
ത
a) Compute the resolved shear stress along (110) plane in a 111 direction when the
applied tensile stress is 52 Mpa.
a) If slip occurs on the above slip system, calculate the magnitude of the applied tensile
stress in [010] direction to initiate yielding if the critical resolved shear stress is 30 Mpa.
z
Applied shear stress direction
𝜙 Normal to slip plane [110]

ത
[111]
y
𝜆
x D
Exercise
z
Applied shear stress direction
𝜙 Normal to slip plane [110]

[1ത 11]
y
𝜆
x D 𝜙 is the angle between [010] and [110]

𝜆 is the angle between [010] and
Learning Objectives
1. Mechanism of slip in cubic single crystal metals
2.Explain the role of grain boundaries on dislocation motion
3.Explain the strength of nano crystalline materials compared
to their coarse grained counterparts
5.Plot schematic variation of tensile strength, yield strength
and percentage elongation as a function of weight
percentage of alloying element Ni in Cu-Ni system
6.Calculate and compare the stored energy in dislocations
and total deformation energy in a material
Slip in Cubic Closed Packed (CCP) Metals
Resolved Shear Stress vs Shear strain for a

typical CCP metal

Slip in Cubic Closed Packed (CCP) Metals
❖ CCP crystals have many slip
systems (>=12)
❖ The initial elastic strain is due to
stretching of bonds (Hooke’s law)
❖ Stage I: Yield point and easy glide,
i.e. only primary slip system is
active
❖ Stage II: With deformation,
Schmid factor changes and hence
second/other slip system(s) Resolved Shear Stress vs Shear strain for a
becomes operative too typical CCP metal
❖ Stage II is work hardening
regime.
❖ Dislocations interact
Slip in Cubic Closed Packed (CCP) Metals (Stage II)
❖ Dislocation operating on same slip system might interact

and possibly inhibit dislocation motion
❖ Similar sign dislocation repel hindering dislocation
motion
❖ Opposite sign dislocations annihilate reducing
dislocation density
❖ Dislocations may combine only if it is energetically
favourable
❖ (b1+b2)2 <= b12+b22
❖ The energy of a dislocation U = (1/2)Gb2

❖ For a dislocation reaction between two dislocations with Burgers
vectors b1 and b2 to be favourable, the energy of the combined
dislocation (with a burgers vector [b1+b2]) must be lower than the
sum of the individual dislocation energies. Thus, the condition is
❖ (b1+b2)2 <= b12+b22
❖ For dislocations of same sign, (b1+b2)2 > b12+b22 and hence they will
repel each other leading to reduction in mobility
❖ Opposite sign dislocations combine again reducing the mobility
❖ Dislocation in different slip systems may also interact. If

the product system is not a valid slip system, they
become locked (Lomer Lock) blocking further slip.
❖ CCP crystals have many slip systems and hence there is
higher probability for inhibiting slip leading to
increased resistance to deformation in stage II
Slip in Cubic Closed Packed (CCP) Metals (Stage III)
❖ Stage III is extension at

high stress, where the
applied force is large
enough to overcome
the obstacles and hence
the less slope.
❖ Work hardening
saturates and in
general stage III ends
with failure.

Geometry and slip
❖ Conditions during slip which restrict the geometry
❖ the spacing of the planes remains constant
❖ the number of planes in the specimen is conserved
❖ This leads to conditions that arise due to change of
orientations of slip planes and directions as slip
proceeds
❖ l cos φ is constant
❖ l sin λ is constant
Geometry and slip
❖ Conditions during slip which restrict the
geometry Slip plane Tensile axis
normal
❖ the spacing of the planes (d) remains
constant
❖ the number of planes (N) in the specimen is
conserved
❖ This leads to conditions that arise due to
Tensile axis
change of orientations of slip planes and
Slip direction
directions as slip proceeds
❖ l cosφ is constant, so that with increase in l,
φ approaches 900
❖ l sinλ is constant, so that with increase in l,
λ approaches zero
Geometry and Slip
Stress Field around a Screw Dislocation
M
A L
B O
Stress Field around a Screw Dislocation
Stress Field around an Edge Dislocation
M
L
O N
The deformation can be considered plane strain

Stress Field around an Edge Dislocation
Twinning
❖ Important deformation mechanism
after slip is twinning
❖ Atomic displacements (as shown)
occur due to twinning giving rise to
crystal bands within the grains
❖ Hexagonal metals (Zn, Mg) behave in
this way at ambient temp.
Schematic of Twinning in FCC
❖ BCC metals (iron) show this behaviour
at sub ambient temperatures
❖ FCC: this mechanism is not so
prominent

Twinning
❖ A shear force can produce atomic displacements such that on one side of a plane (twin
boundary), atoms are located in mirror image positions of atoms on the other side.
❖ Open circles: atoms that didn’t move
❖ Dashed and Solid circles: original and final positions
Twinning
❖ Stress required to form twins is generally greater, but less sensitive to
temperature
❖ Deformation twinning happens in HCP metals at high strains and low
temperatures
❖ FCC metals deform by twinning at very high strain rates and very low
temperatures
Twins in Tungsten
Source: Meyers and Chawla, Mechanical Behaviour of
Materials
Slip vs Twin Deformation
❖ For slip: Crystallographic
orientation above and
below slip plane is same
before and after
deformation
❖ For Twin: Reorientation of
crystal across twin planes ❖ Since, twinning can
❖ Slip occurs in distinct reorient crystal planes, it
atomic spacing multiples might place new planes in
a favourable orientation
❖ Twin displacement is less
for slip to occur!
than interatomic spacing
Interfacial Defects
❖ The boundaries that

separate the regions of the
material with different
crystallographic orientation.
❖ External Surfaces
❖ Grain Boundaries
❖ Low-angle
❖ High-angle
Source: wikipedia
Interfacial Defects
Low-angle grain boundary
Source: wikipedia
High-angle grain boundary

Tilt Boundary
𝜃
Twin boundary
❖ Boundary along with a specific mirror symmetry

❖ Twinning also occurs on preferential planes/directions
❖ Twinning can be caused due to
❖ Mechanical stress: mechanical twins in BCC & HCP
❖ Annealing heat treatment: annealing twins in FCC
Other interfacial defects
❖ Stacking faults (FCC materials ABCABCBC)

❖ Phase boundaries (Multiphase materials)
❖ Ferromagnetic/electric domain walls (boundary
separating different magnetic orientation)
Summary of Interfacial Defects
❖ The atoms at the boundary (external/interface) are less
regularly arranged/bonded
❖ Hence, they will have higher energy
❖ High-angle grain boundary → higher energy
❖ Low-angle grain boundary → low energy
❖ Grain boundaries are more chemically reactive due to
this higher boundary energy.
❖ Impurity atoms attach here due to the higher energy
state.
Volume Defects
❖ Pores
❖ Cracks
❖ Foreign inclusions
❖ Other phases
Strengthening Mechanisms
❖ Understand the relation between the dislocation motion and
mechanical behavior
❖ Principle:
❖ Restrict/Hinder the dislocation motion→ harder and
stronger material
❖ Grain size reduction
❖ Solid-solution strengthening
❖ Strain hardening/Work hardening
❖ Particle hardening
❖ Strain-gradient hardening
Strengthening Mechanisms (Grain boundary)
❖ Grain boundary acts as barrier to

dislocation motion
❖ two grains are of different
orientations; a dislocation
passing into grain B will have to
change it’s orientation Stress field around the dislocation
❖ atomic disorder within the grain

boundary region will results in
discontinuity of slip planes
Strengthening Mechanisms (Grain size reduction)
❖ For high-angle grain boundaries,

dislocation will not traverse across
grain boundaries
❖ Dislocations pile up at the grain
boundaries
❖ introduces stress concentration
ahead of their slip planes leading to
new dislocation creation in adjacent ❖ Reduction of grain size
grains
increases toughness also
❖ A fine-grained material is harder and for many materials
stronger compared to its coarse-
grained counter part
Hall-Petch Relation
❖ For many materials,
yield strength varies
with grain size
according to
❖ Equation is not valid

for very large
(coarse) and
extremely fine grains
Yield strength vs grain size for 70 Cu-30Zn brass alloy

Hall-Petch Strengthening Limit
❖ Experiments on nano crystalline
materials suggest that the yield
strength starts decreasing with further
reduction in grain size
❖ The phenomenon is: inverse Hall-Petch
❖ If the grain size drops below the
equilibrium distance between
dislocations, Hall-Petch relation breaks
down
❖ With reduction in grain size, grains will
be of the size of unit cell which
destroys long range order
❖ Hence, the material is amorphous
now! http://en.wikipedia.org/wiki/Grain_boundary_strengthening#mediavie
wer/File:HallPetchLimit.png
Solid Solution Strengthening
❖ Alloying with impurity atoms that go into the

substitutional and interstitial locations improves strength
and hardness.
❖ High purity metals are usually softer and weaker than
alloys with same base metal.
❖ Alloys are stronger than pure metals because the impurity
atoms impose lattice strains on surrounding host atoms.
❖ Lattice strain field interactions between dislocations and
impurity atoms inhibit dislocation motion.
Small impurity
impurity exerts tensile strain

on the surrounding crystal
Larger impurity
impurity exerts compressive strain

on the surrounding crystal
Cu-Ni alloy
Materials Science and Engineering: An

Introduction by William D. Callister, 8th
edition
Plastic deformation in Polycrystalline Materials
❖ Complex deformation mechanism

❖ Numerous grains and random crystallographic orientations
❖ For each grain, motion occurs along the most favourable slip
system
❖ Gross plastic deformation: distortion of individual grains
❖ Grain boundaries play a major role in hindering dislocation
motion
❖ Polycrystalline materials are stronger (high strength) than single
crystal counterparts
Slip
system 2
Slip
system 1
Polycrystalline copper surface after deformation. The slip lines are visible and they are
produced by dislocations that exited at the surface. Slip lines are analogous to macroscopic
steps found on the surface of single crystals.
❖ Cross slip occurs easily in metals

with high stacking fault energy
(e.g., aluminium)
❖ Cross slip usually occur in stage III
of deformation at high
temperatures
❖ Shear stress required for cross slip
increases with decrease in
temperature
❖ Polycrystals do not exhibit stage I
(easy glide) of deformation
Work-Hardening in Polycrystals
❖ In single crystals, work-hardening is due to the dislocation

interaction which impede the motion of dislocation
❖ Interference of neighbouring grains introduces the problem
of compatible deformations among adjacent grains
❖ Multiple slip and hence work hardening at the very
beginning
❖ Plastic deformation and the associated work-hardening
increases the dislocation density (~1012 dislocations per m2)
Work-Hardening in Polycrystals
❖ Relation between flow stress and the dislocation density
❖ τ0 is the stress required to cause

single dislocation motion in the
absence of other dislocations
❖ α = 0.3-0.6
❖ b is the burgers vector
❖ G is the shear modulus
❖ 𝜌 is the dislocation density
Average dislocation density in copper nano crystal
Softening Mechanisms
❖ Under special circumstances materials can undergo softening
during plastic deformation
❖ Damage accumulation in ceramics and composites
❖ Geometric softening: Individual grains rotate toward
crystallographic orientations for which Schmid factor is increased.
The rotation may lead to global softening instead of hardening
along individual slip systems
❖ Thermal softening: Most of the work of deformation is converted
to heat and only 10% of plastic deformation is stored as defects. If
the time for escape of heat is less, then loss of strength might occur
Concept Question
❖ Calculate the stored energy in copper crystal with dislocation
density of ~ 1011 cm-2, typical of highly deformed metal. Also,
calculate the total deformation energy per unit volume at a
strain of 0.5 and compare this energy with the energy stored in
dislocations.
❖ Assume G = 48.3 GPa, b = 0.25 nm and the work-hardening in
copper is according to
Solution
The dislocation energy per unit volume is
The total deformation energy per unit volume at a strain of 0.5
The dislocation energy is

only 1.4% of the total
deformation energy. The
remaining work is
dissipated as heat rising
the temperature of the
specimen
References
❖ http://en.wikipedia.org
❖ Materials Science and Engineering: An Introduction by
William D. Callister
❖ Mechanical Behavior of Materials by Mare Meyers and
Krishna Chawla
❖ http://imechanica.org/files/L02%20Vacancy.pdf
❖ http://www.doitpoms.ac.uk/tlplib/dislocations/index.ph
p

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ME2200: Materials and Design

1. List different types of defects in a solid

❖ Many a times perfection is not sought by nature!

❖ Most of the metals are alloys giving desired properties

❖ Crystalline defect is a lattice irregularity with one or

❖ Crystals with perfect order do not exist!

❖ Vacancies are the lattice sites

Source: http://en.wikipedia.org/wiki/Crystallographic_defect Points defects in a Compound Solid

Defect free NaCl structure Frenkel defect Schottky defect

❖ Frenkel defect: Vacancy, interstetial pair

❖ Point defects can be created by thermal activation

❖ Why do crystals create vacancies?

Concept courtesy: Zhigang Suo, Harvard University

❖ Assume- Number of Vacancies: Nv; Atoms: Na, Nv/Na << 1

❖ Assume- Number of Vacancies: Nv; Atoms:

❖ During deformation, the atoms pass through 𝜏

Element G (Gpa) 𝜏𝑚𝑎𝑥 (Gpa) 𝜏𝑚𝑎𝑥 /𝐺

Hint: Assume b = a (first approximation)

If an atom receives energy greater than Ee (effective

❖ The voids created by radiation damage acts as

Stress–strain curves for irradiated and

Electronic Atomic point Interfacial defects

Line defects Volume defects

10-14 10-10 10-6 10-2 102

❖ Solvent: Element or compound that is present in

❖ Solvent: Element or compound that is

❖ Carbon forms an interstitial solid solution when added

Assumption: Total alloy volume is assumed to be

Answer: 98.7% and 1.3%

1. List different types of defects in a solid.

❖ Stress required to plastically deform a crystal is much

Atomic arrangements that accompany motion of dislocations

Analogy between caterpillar and dislocation motion

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

Edge Dislocation Screw Dislocation

❖ Heavily deformed metals: 10 -10

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

❖ Upper front region of

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

𝒃 = √2𝑑 𝐸 ∝ |𝒃|2 = 2𝑑 2 𝑑1 > 𝑑2

❖ Dislocations prefer to move in closely packed planes

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

❖ Schmid’s Law: The value of τr at which slip occurs in

Minimum stress for yielding

Slip in a zinc single crystal.

Applied shear stress direction

𝜙 Normal to slip plane [110]

Applied shear stress direction

𝜙 Normal to slip plane [110]

x D 𝜙 is the angle between [010] and [110]

Resolved Shear Stress vs Shear strain for a

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

❖ Dislocation operating on same slip system might interact

❖ The energy of a dislocation U = (1/2)Gb2

❖ Dislocation in different slip systems may also interact. If

❖ Stage III is extension at

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

The deformation can be considered plane strain

Materials Science and Engineering: An Introduction by William D. Callister, 8th edition

❖ The boundaries that

Low-angle grain boundary