DEFECTS IN CRYSTALS

Point defects Line defects Surface Imperfections

PROPERTIES

Structure sensitive
E.g. Yield stress, Fracture toughness

Structure Insensitive
E.g. Density, elastic modulus

CLASSIFICATION OF DEFECTS BASED ON DIMENSIONALITY 0D (Point defects)

Vacancy Impurity Frenkel defect Schottky defect

1D (Line defects)
Dislocation Disclination Dispiration

2D (Surface / Interface)
Surface Interphase boundary Grain boundary Twin boundary Stacking faults Anti-phase boundaries

3D (Volume defects)
Twins Precipitate Faulted region Voids / Cracks Thermal vibration

SYMMETRY ASSOCIATED DEFECTS Translation Rotation Screw

Dislocation

Disclination

Dispiration

Atomic Level

SYMMETRY ASSOCIATED DEFECTS Mirror Rotation Inversion

Twins

Multi-atom

DEFECTS Based on origin Random Structural

DEFECTS Based on position

Random

Ordered

THE ENTITY IN QUESTION

GEOMETRICAL
E.g. atoms, clusters etc.

PHYSICAL
E.g. spin, magnetic moment

0D

Vacancy Non-ionic crystals 0D (Point defects) Interstitial Impurity Substitutional Frenkel defect Other ~ Schottky defect

Ionic crystals

Imperfect point-like regions in the crystal about the size of 1-2 atomic diameters

 Let n be the number of vacancies, N the number of sites in the lattice Assume that concentration of vacancies is small i.e. n/N << 1 the interaction between vacancies can be ignored Hformation (n vacancies) = n . Hformation (1 vacancy) Let Hf be the enthalpy of formation of 1 mole of vacancies G = H T S

G (perfect crystal)

T (C) 500 1000 1500 2000

n/N 1 x 1010 1 x 105 5 x 104 3 x 103

G (G ib b s fre e e n e rg y )

in

E q u i l i b r Hf m = 1 eV/vacancy i u c o n c e n t r a t i o= 0.16 x 1018 J/vacancy n n ( n u m b e r o f v a c a n c i e s )

Certain equilibrium number of vacancies are preferred at T > 0K

1D

2D

2D DEFECTS Variables defining a planar defect (leading to symmetry breaking) Translation [R(r)] + Rotation [Axis (n), Angle ()] + Chemistry (concept of colour symmetry)

Translation Boundary

=0

2D defects

Grain Boundary Chemistry same

Phase Boundary

Descriptors
Dimension 0 1 2 3 Density 0 = v = N/V 0 = d = L/V 2 = b = A/V [/m3] [/m2] [/m] Average spacing (S) Sv ~ (v)3 [m] Sd ~ (d)2 [m] Sb ~ (b)1 [m] S ~ (f)1/3 [m]
Examples Vacancy, interstitials Dislocation, disclination Grain boundary, twin boundary Precipitate, dispersoid, void

3 = p = Vp/V [/m0]

Key: v-vacancy, d-dislocation, b-boundary, p-particle/void, (f)1/3- volume fraction

Thermo-mechanical Treatments

Crystal Atom Structure Electromagnetic Microstructure

Casting Metal Forming Welding Powder Processing Machining

Component

Phases

+ Defects
Vacancies Dislocations Twins + Stacking Faults Grain Boundaries Voids Cracks

Residual Stress

Processing determines shape and microstructure of a component