Imperfections

ME2260: Materials and Design
Imperfections in Ratna Kumar Annabattula

MDS # 208
Solids
email: ratna@iitm.ac.in
Phone: +91-44-2257-4719
Learning Objectives
Learning Objectives
1. List different types of defects in a solid
Learning Objectives
2.Calculate the equilibrium number of vacancies in a material at a specific temperature given the
relevant formation energy
Learning Objectives
3. List different types of solid solutions and give at least 5 examples for each
Learning Objectives
4. Write conditions for formation of each of the above solid solutions

Learning Objectives
5. Calculate the weight and atomic percentage of elements of an alloy

Learning Objectives
6. Draw the schematic of an edge, screw and mixed dislocation and identify Burger’s vector
Learning Objectives
7. List and draw schematics of different types of grain boundaries

Learning Objectives
8. Explain the role of grain boundaries on dislocation motion

Learning Objectives
9. Explain the strength of nano crystalline materials compared to their coarse grained counterparts
Learning Objectives
10. List different types of strengthening mechanisms

Learning Objectives
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
Learning Objectives
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
2. Calculatethe equilibrium number of vacancies in a

material at a specific temperature given the relevant
formation energy
Perfect Crystals?
Perfect Crystals?
❖ Sorry, there is no such thing called PERFECT!

Perfect Crystals?

❖ Materials and Human Society are alike; they both work
despite having defects
Perfect Crystals?

❖ Many a times perfection is not sought by nature!
Perfect Crystals?

❖ Defects in materials lead to many good things too!
Perfect Crystals?

❖ 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 don’t exist!

❖ Imperfections/Defects are ubiquitous
❖ Types of Imperfections
Defects in Crystals
❖ Crystals with perfect

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

❖ 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

❖ Why does crystal create vacancy?

❖ 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
✓ ◆
Ef 25 3
NV = N exp = 2.2 ⇥ 10 vacancies/m
kT
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)
Source: http://en.wikipedia.org/wiki/Ludwig_Boltzmann
❖ dH/dNv = 0 leads to the equilibrium
concentration of vacancies
❖ loge(w) = loge((Nv+Na)!/(Nv!Na!))
❖ The above expression may be
evaluated by using stirling’s
approximation
❖ ln(x!) ~ xlnx-x for large x
Stirling’s Approximation
http://en.wikipedia.org/wiki/Stirling's_approximation
S = k [(Na + Nv ) ln(Na + Nv ) Nv ln Nv Na ln Na ]
Entropy of mixing
S = k [(Na + Nv ) ln(Na + Nv ) Nv ln Nv Na ln Na ]
H=U TS
= Ef N v kT [(Na + Nv ) ln(Na + Nv ) Nv ln Nv Na ln Na ]
⇢
dH Nv Ef
= 0 =) = exp
dNv Na + Nv kT
23 5
k = 1.38 ⇥ 10 J/atom-K (or) 8.62 ⇥ 10 eV/atom-K and T is absolute temperature in K
Exercise
Exercise
Number of Atomic Sites

Exercise

NA ⇢
N=
ACu
23 3
(6.022 ⇥ 10 atoms/mol) (8.4 g/cm )(106 cm3 /m3 )
=
63.5 g/mol
28 3
= 8 ⇥ 10 atoms/m
Exercise

NA ⇢
N=
ACu
23 3
(6.022 ⇥ 10 atoms/mol) (8.4 g/cm )(106 cm3 /m3 )
=
63.5 g/mol
28 3
= 8 ⇥ 10 atoms/m
✓ ◆
Ef 25 3
NV = N exp = 2.2 ⇥ 10 vacancies/m
kT
Theoretical Shear Strength
(Frenkel Model of slip in Perfect Crystal)
❖ The top row will move relative to the bottom
row when a shear stress τ is applied
❖ During deformation, the atoms pass through

equilibrium states A, B and C (τ = 0)
2⇡x
⌧ = k sin
b b - Burger’s vector
2⇡x
For small displacements ⌧ = k x - displacement
b
x
Also for small displacements, material deforms elastically and hence ⌧ = G
a
Gb Gb 2⇡x
Therefore, k = =) ⌧ = sin
2⇡a 2⇡a b
Gb
⌧max =
2⇡a
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
related
derivation
❖ τmax ≈ G/5.1
p
a 2
related
derivation
❖ τmax ≈ G/5.1
p
a 2
Exercise
Hint: Assume b = a (first approximation)

Exercise

Exercise

Theoretical strength is few orders of
magnitude larger than the actual strength!
WHY?
Exercise

Theoretical strength is few orders of
magnitude larger than the actual 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
(< 10-4)
❖ 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 Stress-strain curve for Al single crystal
❖ Radiation Damage
Radiation Damage
❖ Irradiation of solids leads to
❖ Displaced electrons
(ionization)
❖ not important in metals
❖ Displaced atoms by elastic
collision
❖ important in metals
❖ Fission and thermal spikes
Radiation Damage
❖ Neutron Irradiation
❖ Primary collision transfers
energy to the atomic
(ionization)
system
❖ displaces atom from
❖ Displaced atoms by elastic normal position to position
collision between lattice sites
❖ important in metals ❖ defect creation by
displacements, their
❖ Fission and thermal spikes migrations and interactions
Radiation Damage
❖ Neutron Irradiation
❖ Primary collision transfers
energy to the atomic
(ionization)
system
❖ displaces atom from
❖ Displaced atoms by elastic normal position to position
collision between lattice sites
❖ important in metals ❖ defect creation by
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
❖ Displacement Spike: An energetic
atom displaces all atoms it
encounters
❖ If the energy is less than Ee, the
energy is imparted to chain of
exchange collisions
❖ Such efficiency is higher in close
packed directions
Seeger model of damage produced by irradiation. P indicates the
❖ Vacancies generated due to position where the first “knock-on” terminates.
(A. Seeger, in Proc. Symp. Radiat. Damage Solids React., Vol. 1,
irradiation often coalesce and form (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
Source: Meyers and Chawla, Mechanical Behaviour of Materials, Cambridge University Press, 2008
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
❖ 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
❖ 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
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%
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
m1
C1 = ⇥ 100
m1 + m2
m1 and m2 : weight of elements 1 and 2, respectively.
C1 is the weight percent of element 1
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
m01
nm1 =
A1
where m01 is the mass in grams of element 1
A1 is the atomic weight of the element 1
0 nm1
at % of element 1 (C1 ) = ⇥ 100
nm1 + nm2
Composition Conversions
0 0 0
Let the total alloy mass (in grams)M = m1 + m2
0 nm1
C1 = ⇥ 100
nm1 + nm2
m01
A1
= m01 m02
⇥ 100
A1 + A2
0
0 C1 M
m1 =
100
C 1 A2
C10 = ⇥ 100
C 1 A2 + C 2 A1
Composition conversions
C 1 A2
C10 = ⇥ 100
C 1 A2 + C 2 A1
0 C 2 A1
C2 = ⇥ 100
C 1 A2 + C 2 A1
0
C 1 A1
C1 = ⇥ 100
C10 A1 + C20 A2
0
C 2 A2
C2 = ⇥ 100
C10 A1 + C20 A2
0
Ci : at %, Ci : wt % and Ai : Atomic weight of i
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’’
! !
00 C1 3 00 C2 3
C1 = C1 C2
⇥ 10 C2 = C1 C2
⇥ 10
⇢1 + ⇢2 ⇢1 + ⇢2
⇢i is density in g/cc so that Ci00 is in kg/m3

Average alloy density and atomic weight
❖ Average alloy density and average atomic weight interms
of their at % or wt % of constituents
0 0
100 C 1 A1 + C 2 A2
⇢ave = C1 C2
, ⇢ave = C10 A1 C20 A2
⇢1 + ⇢2 ⇢1 + ⇢2
0 0
100 C 1 A1 + C 2 A2
Aave = C1 C2
, Aave =
A1 + A2
100
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
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!
2. Calculate the equilibrium number of vacancies in a
formation energy
formation energy
3. List
different types of solid solutions and give at least 5
examples for each
formation energy
3. List
examples for each
4. Writeconditions for formation of each of the above solid

solutions
formation energy
3. List
examples for each
4. Writeconditions 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


4. Explain the strength of nano crystalline materials compared to

their coarse grained counterparts



6. Plotschematic variation of tensile strength, yield strength and

percentage elongation as a function of weight percentage of
alloying element Ni in Cu-Ni system

6. Plotschematic 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
Slip by glide of plane of atoms
Slip by glide of plane of atoms
Slip by dislocation motion
Slip by dislocation motion
Stress required for slip
❖ Shear stress required for slip by gliding plane of atoms
is the theoretical shear strength calculated earlier
Gb
⌧max =
2⇡a
❖ Shear stress required for slip by dislocation motion
(Peierls-Nabarro stress) ✓ ◆
2⇡w
⌧p = 3G exp
b
❖ For b = w, τp has maximum value
G This value is much smaller
⌧p = than theoretical shear
180 strength
How does a Caterpillar Move?
https://www.youtube.com/watch?v=vm4EgwOjzNY
How does a Caterpillar Move?
https://www.youtube.com/watch?v=vm4EgwOjzNY
Line Defects
Carpet/Rug with a fold

Dislocations (Line Defects)
Atomic arrangements that accompany motion of dislocations

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 compression-tension
cycles)
Bubble Raft (Motion of dislocation under shear stress)
Bubble Raft (Motion of dislocation under shear stress)
Dislocations
❖ Edge dislocation
❖ Screw dislocation
Burgers Vector
Screw Dislocation
❖ Upper front region of

the crystal is shifted by
one atomic distance to
the right relative to the
bottom portion.
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
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
Characteristics of Dislocations
❖ Two dislocation 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
dramatically (density in deformed
metals ~ 1010 mm-2)
❖ Strain fields and associated forces —>
strengthening mechanisms
Slip Systems
❖ Dislocation prefer to move in
preferred planes (slip plane)
along a preferred direction (slip
direction)
❖ Slip system: combination of slip (111)
plane and slip direction
❖ Slip system depends on crystal
structure
❖ The choice is such that the
atomic distortion due to
dislocation motion in minimum [11̄0]
Slip along close packed direction
Source: Anthony R West, Solid state chemistry and its applications

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
Burgers Vector
❖ Burgers vector denoted by b denotes 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
a
b(F CC) = |< 110 >|
2
a
b(BCC) = |< 111 >|
2
a
b(HCP ) = |< 112̄0 >|
3
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 τr
= resolved force acting on slip plane/area of
slip plane
❖ τr = F cos λ/A/cos Φ = (F/A) cos Φ cos λ = σ cos
Φ cos λ
❖ 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 τc
❖ 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, i.e., 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
material)
τcrss
⌧crss
y =
(cos cos )max
material)
τcrss
⌧crss
y =
(cos cos )max
Minimum stress for yielding
material)
τcrss
⌧crss o
y = y = 2⌧crss (at = = 45 )
(cos cos )max
material)
τcrss
⌧crss o
y = y = 2⌧crss (at = = 45 )
(cos cos )max
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.)
Learning Objectives
Learning Objectives
1. Mechanism of slip in cubic single crystal metals
Learning Objectives
2.Explain the role of grain boundaries on dislocation motion
Learning Objectives
3.Explain the strength of nano crystalline materials
compared to their coarse grained counterparts
Learning Objectives
Learning Objectives
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
Learning Objectives
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
Slip in Cubic Closed Packed (CCP) Metals (Stage II)
❖ 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
❖ 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
Exercise
Exercise
Exercise
𝜙 is the angle between [010] and [110]

Exercise

𝜆 is the angle between [010] and [1̄11]
Exercise

⌧R = cos cos = 52(cos 45 )(cos 54.7 ) = 21.3 MPa
Exercise

⌧R = cos cos = 52(cos 45 )(cos 54.7 ) = 21.3 MPa
30
y = = 73.4 MPa
(cos 45 )(cos 54.7 )
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
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 atomic reorient crystal planes, it
spacing multiples might place new planes in
a favourable orientation for
❖ Twin displacement is less than
slip to occur!
interatomic spacing
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 Gb

/
boundary region will results in r
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
0.5
y = 0 + ky d
❖ 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 http://en.wikipedia.org/wiki/
now! Grain_boundary_strengthening#mediaviewer/
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
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
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.
Source: Callister
Slip
system 1
Source: Callister
Slip
system 2
Slip
system 1
Source: Callister
❖ 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
Exercise
❖ 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
n
= 0 + K✏ , where
0 = 50 M P a,
n = 0.5,
K = 500 M P a.
Solution
2
Gb
The dislocation energy per unit volume is U = ⇢
2
1 15 9 9 2 6 3
U = ⇥ 10 ⇥ 48.3 ⇥ 10 ⇥ (0.25 ⇥ 10 ) = 1.5 ⇥ 10 J/m
2
The total deformation energy per unit volume at a strain of 0.5
Z ✏ Z ✏1
U= d✏ = ( + K✏ n
) d✏ The dislocation energy is
0
0 0 only 1.4% of the total
✏n+1
1
deformation energy. The
= 0 ✏1 +K remaining work is
n+1
(0.5) 1.5 dissipated as heat rising
6 6
= 50 ⇥ 10 ⇥ 0.5 + 500 ⇥ 10 ⇥ the temperature of the
1.5
8 3 specimen
= 1.41 ⇥ 10 J/m
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.php

Imperfections

Transféré par

Informations du document

Copyright

Formats disponibles

Partager ce document

Partager ou intégrer le document

Options de partage

Avez-vous trouvé ce document utile ?

Ce contenu est-il inapproprié ?

Droits d'auteur :

Formats disponibles

Imperfections

Transféré par

Droits d'auteur :

Formats disponibles

ME2260: Materials and Design

Imperfections in Ratna Kumar Annabattula

4. Write conditions for formation of each of the above solid solutions

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

7. List and draw schematics of different types of grain boundaries

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

7. List and draw schematics of different types of grain boundaries

8. Explain the role of grain boundaries on dislocation motion

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

7. List and draw schematics of different types of grain boundaries

8. Explain the role of grain boundaries on dislocation motion

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

7. List and draw schematics of different types of grain boundaries

8. Explain the role of grain boundaries on dislocation motion

10. List different types of strengthening mechanisms

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

7. List and draw schematics of different types of grain boundaries

8. Explain the role of grain boundaries on dislocation motion

10. List different types of strengthening mechanisms

4. Write conditions for formation of each of the above solid solutions

5. Calculate the weight and atomic percentage of elements of an alloy

7. List and draw schematics of different types of grain boundaries

8. Explain the role of grain boundaries on dislocation motion

10. List different types of strengthening mechanisms

12. Derive the expression for critically resolved shear stress

1. List different types of defects in a solid

2. Calculatethe equilibrium number of vacancies in a

❖ Sorry, there is no such thing called PERFECT!

❖ Sorry, there is no such thing called PERFECT!

❖ Sorry, there is no such thing called PERFECT!

❖ Sorry, there is no such thing called PERFECT!

❖ Sorry, there is no such thing called PERFECT!

❖ Most of the metals are alloys giving desired properties

❖ Crystalline defect is a lattice irregularity with one or

❖ Crystals with perfect order don’t exist!

❖ Crystals with perfect

❖ Vacancies are the lattice sites

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

❖ Frenkel defect: Vacancy, interstetial pair

❖ Point defects can be created by thermal activation

❖ Why does crystal create vacancy?

Concept courtesy: Zhigang Suo, Harvard University

❖ Why does crystal create vacancy?

Number of Atomic Sites

Number of Atomic Sites

Number of Atomic Sites

❖ During deformation, the atoms pass through

Hint: Assume b = a (first approximation)

Hint: Assume b = a (first approximation)

Hint: Assume b = a (first approximation)

Hint: Assume b = a (first approximation)

If an atom receives energy greater than Ee (effective displacement

Stress–strain curves for irradiated and

❖ Solvent: Element or compound that is present in

❖ Carbon forms an interstitial solid solution when added