Hartmut S.

Leipner: Defects in crystals

3.2 Elasticity theory of dislocations

 Basics of linear elasticity theory

 Stress field of a straight dislocation
 Strain energy
 Forces on dislocations

(Dislocation core structure)

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 Basics of linear elasticity theory
 Displacement vector u = (ux, uy, uz)
 Nine components of the strain tensor

 εij << 1,
εii normal strain, εij (i ≠ j) shear strain

 Fractional change in volume ΔV/V = Σεii y C’

D’
D C

B’

A x
B

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 Stress in the solid
 Considering a small cubic volume element in a solid, the total stress state
can be described by the forces perpendicular and parallel to the faces of
the cube.
 On each face, three stresses: 1 normal σii, 2 shear σij (i ≠ j; i, j = x, y, z)
 All together nine components of the stress

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 Stress tensor

 Stress tensor is symmetrical, σij = σji (rotational equilibrium).

 Magnitude of the individual components depends on the orientation of
the coordinate system.
 A special coordinate system can always be found, where there are only
normal stresses,

 Positive normal stress as tension

 Hydrostatic pressure is the average normal stress,

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 Strain

 Generally, the elastic deviation of the shape of the solid can be

expressed as a strain tensor,

 εii elongations, εij shear (i ≠ j)

 Strain tensor also symmetrical

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 Stress–strain relationships

 Stress as force per unit area of surface; consider orientation

of the surface and direction of the force
 Uniaxial tension σ = Ẽε, shear τ = Gγ
 Special cases of Hooke’s law
 Relation between stress and strain tensors

 Expression of 9 equation like

 C has 34 = 81 components Cijkl (4th rank tensor)

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 Elastic constants C

 In praxi, number of constants is reduced due to symmetry. ~

 For isotropic solids only two parameters (e. g. G and Lamé constant λ)

 In cubic crystals, three constants are needed.

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 Elastic moduls

 Other constants to ~be used: Young’s modulus Ẽ, Poisson’s constant ν,

and bulk modulus K,

 Poisson’s constant
Elongation in x-direction connected with reduction of cross section

εyy = εzz = − νεxx

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 Strain field of a straight screw dislocation

 Representation as a cylinder
of elastic material
b  Slit LMNO || z axis, surface
b
displaced by b

Displacements:
ux = uy = 0

Volterra screw dislocation

[Hull, Bacon 1992]

 Cylinder with radius r0 not taken into account:

assumptions of linear elasticity theory not valid
hsl 2008 – Defects in crystals – 3.2 Elasticity theory Strain field screw

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 Straight screw dislocation

Simpler form in cylindrical coordinates:

Using σrz = σxz cosθ + σyz sinθ (the only non-zero

σθz = –σxz sinθ + σyz cosθ components)

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 Discussion of the strain and stress fields

 Strain and stress ∝ 1/r, diverge with r → 0

 Linear elasticity approach not valid at the center of the dislocation
 Dislocation core with atomistic model
 Theoretical stress limit reached at r ≈ b
 Reasonable core radius ≤ 1 nm

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 Stress field of a straight edge dislocation

b b

Volterra edge dislocation

[Hull, Bacon 1992]

hsl 2008 – Defects in crystals – 3.2 Elasticity theory Strain field edge

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 Stress field contours of an edge dislocation

Contours of equal stress

about an edge dislocation
[Hirth, Lothe 1992]

hsl 2008 – Defects in crystals – 3.2 Elasticity theory Stress field edge dislocation

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 Stress field of an edge dislocation

 Deformation is basically a plane strain.

 Both dilatational and shear components exist.
 Largest normal stress σxx || Burgers vector
 Max. compressive stress immediately above y = 0 (slip plane)
max. tensile stress immediately below y = 0

 Pressure on a volume element

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 Strain energy of a dislocation

 Elastic strain energy in theory of elasticity:

 Two parts of the total strain energy of a body containing a dislocation:

E = Ecore + Eel
 Elastic energy per unit length of a screw:

(Total elastic energy per unit length)

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 Discussion of the strain energy

 Strain energy of an edge more complicated to calculate

(lower symmetry)

 Elastic energy of an edge dislocation higher by about 3/2 than that of a screw

 Eel depends on r0 and R (core radius and cut-off radius).

 Example: G = 4·1010 Nm−2, r0 = 1 nm, R = 1 mm, b = 0.25 nm
Eel ≈ 6 eV per unit length of a dislocation
 R corresponds to crystal dimensions.
 For many dislocations in a crystal,
superposition of the long-range strain fields

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 Elastic energy of dislocations

Elastic energy in a ring cylinder of the thickness dr

hsl 2008 – Defects in crystals – 3.2 Elasticity theory Elastic energy screw

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 Energy of mixed dislocations

 Superposition of edge and screw parts

 Eel ≈ αGb2, with α ≈ 0.5–1.0

 Shortest lattice translation vectors
preferred as Eel is min.

Splitting of a dislocation with b1 = 2a

into two dislocations,
E1 ∝ 4a2, E2 ∝ 2a2
[Bohm 1992]

hsl 2008 – Defects in crystals – 3.2 Elasticity theory Dislocation splitting

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 Frank’s rule

 Energy criterion for dislocation reaction

b2 b3
b1 Reaction favorable
+ = φ  Condition with angle φ:
! π/2 < φ ≤ π Reaction preferred
b1 + b2 = b3
0 ≤ φ < π/2 Dissociation preferred

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 Elementary process of plastic deformation

The motion of dislocations is the elementary process of the plastic deformation

of crystals. σ is here the shear stress τ.

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 External forces on dislocations

 Dislocation separates slipped region

from unslipped one
 Deformation work may be done by
external force ⇒ shift of the dislocation

Plastic deformation by motion of a dislocation

[Kelly:2000]
hsl 2008 – Defects in crystals – 3.2 Elasticity theory Screw motion

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 Definition of force

 Dislocationof length L, swept distance on the slip plane x

 Applied shear force on the crystal (per length L): F = σx
 Work done by the crystal (per length L): W = σx b
b
x

 Definition of a force (per length L) to move the dislocation in

L
x-direction: work W = force on dislocation × x
 Fd = σb

 Pure motion in the glide plane

Fd = τb (per unit length L)

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 Peach–Koehler force

 General case of a shear force on a crystal: F = σ·n

(n unit vector of the swept-out surface, n = ξ×u, with line vector ξ, direction of motion u)
 Displacement by Burgers vector b if dislocation moves
 Work done by the crystal:
W = (σ·n)·b = (σ·b)·n
W = (σ·b)·(ξ×u) = (σ·b)×ξ·u

Force to move the dislocation in the direction u

 Peach–Koehler force Fd = (σ·b)×ξ
 Force acting on a plane perpendicular to b
 ξ || dislocation: Fd always normal to the dislocation

(All eq. are given per unit length of dislocation L.)

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 Line tension
 Strain energy proportional to the length,
increase in length causes increase in energy
 Existence of a line tension trying to reduce the line
length
 To be defined via the increase in energy per unit
length T = αGb2

 Calculation of the shear stress τ0 to maintain

a certain radius of curvature R
 Inward“force”: Ks = 2T sin(Δϑ/2),
for small angles: dKs = T dϑ
 Outward “force” on segment ds due to applied
[Bohm 1992]
stress is τ0 bds
 Equilibrium: T dϑ = τ0 bds (ds = Rdϑ)

hsl 2008 – Defects in crystals – 3.2 Elasticity theory Line tension

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 Forces between dislocations

 Edge dislocations with the same slip

plane
repulsive force if b has the same
sign, attractive if opposite sign
 More complicated, if slip planes
different
 Displacement in dislocation I is
Burgers vector b of dislocation II
y

x
hsl 2008 – Defects in crystals – 3.2 Elasticity theory Interaction between edge dislocations

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 Calculation of the force

Components of the force on dislocation II per unit length

(bx = b, by = bz = 0):

y
Fy

⊥II Fx

⊥I x

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 Force between parallel edge dislocations

Force between parallel edge dislocations. Unit of force Fx is Gb2y/[2π(1 − ν)].

Curve A for like dislocations, curve B for unlike dislocations.
[Hull, Bacon 1993/Cottrell 1953]
hsl 2008 – Defects in crystals – 3.2 Elasticity theory Forces between edge dislocations

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Interaction force between edge dislocations

 Dislocations motion only in the slip plane

most important Fx

 For x > 0, Fx < 0 (attractive) if x < y

 For x < 0, Fx > 0 (attractive) if x < − y
(dislocations of the same sign)

y ⊥

⊥
x
⊥
hsl 2008 – Defects in crystals – 3.2 Elasticity theory Forces between edge dislocations

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 Stable positions of edge dislocations

⊥ ⊥ ⊥

⊥ ⊥ ⊥ 45°

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 Interaction force between screws

 Screws much easier: attractive for opposite sign, repulsive for

the same sign
 No forces between parallel screw and edge dislocations, as the
stress fields are not mixing

hsl 2008 – Defects in crystals – 3.2 Elasticity theory Forces between edge dislocations

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 Climb force

 Force Fy not in glide plane, no conservative motion of dislocation possible

 Motion only possible, if intrinsic point defects can be emitted or absorbed
 Vacancy or interstitial mechanism

Emission of interstitials by dislocation climb

hsl 2008 – Defects in crystals – 3.2 Elasticity theory S10-90

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 Chemical force
 No. of vacancies absorbed: bls/Ω
(l length of dislocation segment, s climb distance, Ω atomic volume)
 Change in the vacancy concentration  change in the chemical potential of
vacancies

 vice versa: chemical force f by supersaturation of vacancies

 Dislocation climbs, until equilibrium between f and Fy

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