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Lecture 1 - Imperfections in Solid PDF
Lecture 1 - Imperfections in Solid PDF
Imperfections
in Solid
Outline
Point Defects
Impurities in Solids
Dislocations
Interfacial Defects
Specification of Composition
Imperfections in Solid
Point Defects
Dislocations
(Linear Defects)
Imperfections
in Solid
Interfacial Defects
Bulk or Volume Defects
Atomic Vibrations
3
Point Defects
Point Defects
Vacancy an empty space (vacant lattice site),
where an atom should be, but is missing.
Vacancy is formed due to a missing atom
Vacancy is formed during crystallization/solidification or
mobility of atoms
Also caused due to plastic deformation, rapid cooling or
particle bombardment
(a)
(b)
Vacancy
distortion
of planes
5
Point Defects
Qn
Nn = N exp ( --- )
kT
NV = number of vacancies per meter cube
N = total number of atomic sites (usually per cubic meter)
Qn = energy required for the formation of a vacancy (J/mol or eV/atom)
T = absolute temperature in Kelvins
K = Boltzmanns constant (1.38 x 10-23 J/atom.K or 8.62 x10-5 eV/atom.K)
Point Defects
Self interstitial atom is an extra atom that has crowded
its way into an interstitial site (a small void space that
under ordinary circumstances is not occupied) in the
crystal structure.
distortion
of planes
Impurities in Solids
Solid Solution Solute atoms are added to the
host material (solvent or host atom), the crystal
structure is maintained and no new structures are
formed. Example: Alloy
Impurities in Solids
Substitutional
Interstitial
8
Impurities in Solids
Substitutional impurity atom atom of a
different type than the bulk atoms, which has
replaced one of the bulk atoms in the lattice.
Substitutional atom
9
Impurities in Solids
Interstitial impurity atom atom of a different
type than the bulk atoms; it is much smaller than
bulk atom. It fill the voids or interstices among
the host atom.
10
Impurities in Solids
Condition for Substitutional Solid-solution
Hume Rothery rule
Impurities in Solids
Impurities in Solids
Cu
C
H
O
Ag
Al
Co
Cr
Fe
Ni
Pb
Zn
Atomic Crystal
Radius Structure
(nm)
0.1278
0.071
0.046
0.060
0.1445
0.1431
0.1253
0.1249
0.1241
0.1246
0.1750
0.1332
Electronegativity
Valence
FCC
1.9
+2
FCC
FCC
HCP
BCC
BCC
FCC
FCC
HCP
1.9
1.5
1.8
1.6
1.8
1.8
1.6
1.6
+1
+3
+2
+3
+2
+2
+2, +4
+2
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Dislocations:
are line defects (linear defect around which some of the atoms are
misaligned; lattice distortions are centered around a line)
slip between crystal planes result when dislocations move
produce permanent (plastic) deformation
formed during: solidification, permanent deformation, atomic
mismatch in solid solution
Schematic of Zinc (HCP):
before deformation
slip steps (slip bands)
14
Screw dislocation
Mixed dislocation
15
Edge Dislocations
Created by insertion of extra half planes of atoms in a
lattice.
The dislocation is called a line defect because the locus
of defective points produced in the lattice by the
dislocation lie along a line.
Burgers vector: shows displacement of atoms (slip) or
measure of lattice distortion (magnitude & direction)
Burgers vector
Half Plane
16
Screw Dislocations
Created due to shear stresses applied to
regions of a perfect crystal separated by cutting
plane.
Distortion of lattice in form of a spiral ramp.
Burgers vector is parallel to dislocation line.
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Screw Dislocations
Mixed Dislocations
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Interfacial Defects
Planar Defects
External Surfaces
Interfacial Defects
Grain Boundaries
Twin Boundaries
20
Grain Boundaries
22
Grain Boundaries
Formed due to simultaneously growing
crystals meeting each other.
Width = 2-5 atomic diameters
Within boundary region, there is some
atomic mismatch
and
prevent
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Twin Boundaries
Twin Boundary : Grain boundary which there is a specific
mirror lattice symmetry. The atoms on one side of the
boundary are located in mirror-image positions of the atoms
on the other side
Formed during plastic deformation and recrystallization
Twin Plane
Twin
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Specification of Composition
m1
C1 = ---------------- x 100
m1 + m2
m1 & m2 weight (mass) of elements 1 and 2,
respectively
25
Specification of Composition
m1
nm1 = --------A1
nm1
m1
A1
nm1
C1 = ---------------- x 100
nm1 + nm2
= number of moles
for element 1
= mass in gram
= atomic weight
Atom percent of element 1
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Specification of Composition
Composition Conversion
Conversion of wt% to at% for a two elements alloy
C1A2
C1 = --------------------- x 100
C1A2 + C2A1
C2A1
C2 = --------------------- x 100
C1A2 + C2A1
Weight percent = C1 , C2
Atoms percent = C1, C2
Atomic weight = A1, A2
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Specification of Composition
Composition Conversion
Conversion of at% to wt% for a two elements alloy
C1A2
C1 = --------------------- x 100
C1A1 + C2A2
C2A2
C2 = --------------------- x 100
C1A1 + C2A2
Weight percent = C1 , C2
Atoms percent = C1, C2
Atomic weight = A1, A2
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Specification of Composition
To convert concentration from weight % to mass of one
component per unit volume of material (wt% to kg/m3)
C1
C1 = ----------------- x 1000
C1
C2
------ + ------
Density, = g/cm3
C2
C2 = ----------------- x 1000
C1
C2
------ + ------
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Example 1
Calculate the equilibrium number of vacancies per cubic
meter for copper at 1000oC. The energy for vacancy
formation is 0.9eV/atom; the atomic weight and density (at
1000oC) for copper are 63.5 g/mol and 8.4g/cm3 respectively.
Solution:
This problem may be solved by using equation
Qn
Nn = N exp ( --- )
kT
However it is necessary to determine the value N, number of
atomic sites per cubic meter first
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Example 1
Atomic weight ACu, its density and Avogadros number NA.
NA
N = -------ACu
(6.023 x1023 atoms/mol)(8.4g/cm3)(106cm3/m3)
= ---------------------------------------63.5g/mol
= 8.0 x 1028 atoms/m3
Thus, the number of vacancies at 1000oC (1273K) is equal to
Qv
Nv = N exp ( ------)
kT
(0.9 eV)
= (8.0 x 1028 atoms/m3 exp[ -----------------------------------]
-5
(8.62 x10 eV/K)(1273K)
Example 2
Determine the composition, in atom percent, of an
alloy that consist of 97 wt% aluminum and 3 wt%
copper.
CCu = 3
CAl = 97
CCuAAl
CCu = --------------------- x 100
CCuAAl + CAlACu
(3)(26.98g/mol)
= ---------------------------------------------- x 100
(3)(26.98g/mol) + (97)(63.55g/mol)
= 1.30 at%
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Example 2
Determine the composition, in atom percent, of an
alloy that consist of 97 wt% aluminum and 3 wt%
copper.
CCu = 3
CAl = 97
CAlACu
CAl = --------------------- x 100
CCuAAl + CAlACu
(97)(63.55g/mol)
= ---------------------------------------------- x 100
(3)(26.98g/mol) + (97)(63.55g/mol)
= 98.7 at%
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