ME 209 Class Notes

1 Introduction • ∆ẽf = ∆ef + ωΩ → ω = O(p2 ).

a
• Cubic structures: dhkl = √ .
h2 +k2 +l2 • ∆ṽf = Ω†B . In ∆g, ∆vf = Ω†B − ΩB .
• Convert Atomic-Weight Percent: χ = Pwt%x /Mwx
. • Substitutional: ∆ṽf = ∆vf + ΩB − ΩA = Ω∗B − ΩA .
wt%i /Mwi
• Vacancies: ∆ẽf = ∆ef − ωΩ → ω = O(p2 ).
2 Stress, Strain, Isotropic
 Elasticity
 • ∆ṽf = ∆vf − Ω = ∆Vvrlx ≈ −0.3 Ω ∼ −0.5 Ω.
1 ∂ui ∂uj
• Cartesian: εij = 2 ∂xj
+ ∂xi
. 6 Point Defect Equilibria
• ∆G = nV− ∆gV− + nV+ ∆gV+ − T ∆Smix .
∂ur 1 ∂uθ ur ∂uz
• Cylindrical: εrr = ∂r
, εθθ = r ∂θ
+ r
, εzz = ∂z
. M M
 X ∆g X

− +∆gV+
V
1 ∂uθ ur uφ cot φ 1 ∂uφ ur • Schottky: χeq = exp − M X
.
• Spherical: εθθ = r sin φ ∂θ
+ r
+ r
, εφφ = r ∂φ
+ r 2kB T

E
• Shear modulus: µ = .
 ∆g + +∆g −

2(1+ν) M V
i M
• Frenkel (M): χeq = exp − 2kB T
.
1
• Axial strain: εxx = [σ
E xx
− ν(σyy + σzz )].
• Generalized Hooke’s law: σxx = 2µεxx + λ(εxx + εyy + εzz ). 3 2 da
• Alloys: ΩNi ≈ a
2 0 dχNi
+ ΩAl .
νE
• Lamé coefficient: λ = (1+ν)(1−2ν)
. • Divacancies: χ2v = nv

2
exp − ∆e bind
.



N k T B
• Bulk modulus: B = E
3(1−2ν)
, ∆V
V
= − pext
B
. 7 Point Defect Kinetics
elastic  
m
∂σrr 1 ∂σrθ ∂σrz 1 ∆gv
• Cylindrical eq: + + + (σrr − σθθ ) + Fr = 0. • rjump ≈ νzexp − k .
∂r r ∂θ ∂z r BT
 
3 Statistical Thermodynamics d log10 (∆ρ/∆ρi ) 1 ∆em
v
• dt
= − 2.303τ exp − k .
• General energy: dE = T dS − p dV + µ dN . 0 BT



2
∂G ∂G ∂G ∂c(x,t) ∂J(x,t) ∂ c(x,t)
• Gibbs FE: dG = ∂T
dT + ∂p
dp + ∂N
dN . • ∂t
=− ∂x
=D ∂x2
.
p,N T,N T,p
 m

G p ∆ev
• Chemical potential: µ = N
= µ0 + kB T ln p0
. • Dv ≈ νzexp − k . Self-diffusion: DL = χv Dv .
BT
• Entropy: S = kB ln W . Sterling’s: ln N ! ≈ N ln N − N . 
∆em

l2 v
• Characteristic time: tc = νza2
exp kB T
.
4 Point Defect Mechanics
p2 Ω
• χi ≡ N . c ≡ NVB = Ω
χ 3B


N
B
s
. • Uniform σ: ∆µv ≈ ∆gv0 − 2B
1+ 4µ
+ p∆Vvrlx + kB T ln χv .
• Atomic size factors: Ω(χ) = (1 − χ)ΩA + χΩ∗B . ∂∆µv


• Jv = − D v cv
k T ∂x
=⇒ ∂cv
∂t
= Dv ∂
kB T ∂x
cv ∂∆µ
∂x
v
.
B

Ωafter before
avg −Ωavg
h i
• Ω∗B = ΩA (1 + Ωsf ). ∆V
= . p(x)∆Vvrlx
V Ωbefore
avg
• Non-uniform σ: ceq
v (x) = c0 exp − kB T
.
V NB †
• Interstitial: Ω̃ ≡ NA
= ΩA + Ω .
NA B • ∆µv = kB T ln
cv (x)
eq + constant (if not @ equilibrium).
cv (x)
4µ


• Inclusion: ∆v = vA 1 + 3B
= Ω∗B − ΩA = ∆V . • Creep: ∆fv0 = ∆e0v − T ∆s0v .
 
χ0 1 ∆fv0
5 Point Defect Thermodynamics • c0 = = exp −k .
Ω Ω BT
• ∆H = ∆E + pext ∆V .
8DL σΩ


• Lattice diffusion: ε̇N-H = .
• ∆E = χN ∆ef = χN (∆ebond
f + ∆estrain
f ). L2 kB T
8δgb Dgb σΩ


• ∆V = χN ∆vf = χN (Ω∗B − ΩB ). • Grain boundary diffusion: ε̇C = L3 kB T
.
• ∆S = ∆Sconfig + ∆Svib .
 
∆hm


• Substitutional impurities: D = D0 exp − s
kB T 1
exp − k∆hTv .
B 2
• ∆Sconfig = −N kB [χ ln χ + (1 − χ) ln(1 − χ)].
• ∆Svib = χN ∆sf . 8 Dislocation Geometry

2πx x
• Frenkel shear: τ = τmax sin = µh .
− k∆gTf − ∆hfk−TT∆sf



• χeq = exp = exp . b
B B
• Character angle: ϕ. Screw: ϕ = Edge: ϕ = 90◦ . 0◦ ,
∆sf
exp − k∆eTf exp − pext ∆vf




• χeq = exp .
kB B k T B • Edge dislocation: ξ̂ × ~b = extra half plane.
• χeq
i = f
1
∆g

. • RHS: ξ̂ · ~b > 0. LHS: ξ̂ · ~b < 0.
1+exp k T
B Pn ~
• Frank’s rule: bi = 0.
i=1
• ∆ev = 6a2 γs ≈ 1.5 eV.
• Motion: Edge - glide in one plane; Screw - cross-slip. Climb - non-
• ∆vv ≈ 0.5 Ω ∼ 0.7 Ω. conservative motion for edge dislocations. Movement of vacancies
• ∆sv ≈ 2 kB ∼ 8 kB . ξ̂×~
b
• n̂ = . Direction of dislocation motion is ⊥ ξ̂.
• ∆Vvrlx = ∆vv − Ω ←→ ∆vv = ∆Vvrlx + Ω. |ξ̂×~
b|
• Dislocation density, ρ, increases with plastic deformation.
• Estimates: χv (Tm ) ≈ 10−3 , χv (300K) ≈ 1.6 × 10−16 .
• Positron Annihilation: log10 χv vs. 1/T . 9 Dislocation Mechanics H

∆sv ∆hv • Burgers condition (RH/SF rule): ∂~
u
∂s
ds = ~b. Magnitude matters!
• Quench Resistivity: ln(∆ρ) = ln α + kB
− kB T
. C
µb 1
• Screw, infinite cylinder: σθz = µγθz = .
• ∆vv = −kB T ddp
ln χv
. 2π r
ext 2 4




• Screw, finite cylinder: Tz∞ = µb R2 . Tzimg = −πµA R2 .
∆V ∆V ∆V ∆V
• V0
= V0
+ V0
+ V0 h
i
total elastic growth expansion r 2
  ∞ + σ img =
• σθz = σθz µb
1−2 .
∆aT θz


2πr R
→ ∆V
V0
= − pext
B
+ χv ∆vv
Ω
+3 a0
.
total 2 2
2π R
∆L

∆a

• Periodic length: zc = b
.
• Entropy: Extrapolate from χv = 3 L0
−3 a0
.
µb sin θ
 ∞ ∞ =−
σrr = σθθ 2π(1−ν) r
• Interstitial: ∆G = χi Ns (∆ẽf + pext ∆ṽf − T ∆s̃f ) + Ns kB T [χi ln χi + (1 − • Edge, infinite cylinder: ∞ µb cos θ .
χi ) ln(1 − χi )]. σrθ = 2π(1−ν) r
µb(1+ν)
∂∆G χi

y
• ∆µi ≡ ∂NB
= (∆ẽf + pext ∆ṽf − T ∆s̃f ) + kB T ln 1−χi
. • Hydrostatic: p∞ = − 31 σxx
∞ + σ∞ + σ∞ =
yy zz 3π(1−ν) x2 +y 2
.
  h
i
m
r 2


µb sin θ
σrr = − 2π(1−ν)r
 1− • Dislocation velocity: v(τ, T ) = v0 τ
τ0
exp − k QT .
 R B
 h
i
µb sin θ r 2 • Biaxial strain: εel = −εmisfit = 1−ν
σ.
• Edge, finite radius: σθθ = − 2π(1−ν)r 1−3 R
. 2µ(1+ν)
 h
i
 µb cos θ r 2 2µ(1+ν) 2
σrθ =
 1− • Film elastic energy: Ecoherent = 1−ν
εmisfit h.
2π(1−ν)r R
hc b
R R R 2π (σθz )2 • Critical film thickness: ln(αe hc /b)
= 8π(1+ν)|εmisfit |
.
• Dislocation line energy: Wsel = 2µ
rdrdθ.
r0 0
ac b
• Critical precipitate radius: = π 2 |εmisfit |
.
µb2 ln(ac /b)
Rb b
RR  R

• Wsel = Fz dqz = 2
σθz (θ = 0)dr ≈ 4π
ln r0
−1
0 r0 ∞ + σ img = µb x+x0 µb x−x0
• σyz (x, y) = σyz yz 2π (x+x0 )2 +y 2
− 2π (x−x0 )2 +y 2
.
µb2 αs R µb2
• Es = Wsel + Escore = ln r0
≈ .
4π 2
• General problem: µ1 (b + b∗ ) = µ2 b∗∗ , b − b∗ = b∗∗ .
µb2
Rb b
RR  R 1

• Weel = Fx dqx = 2
σrθ (θ = 0)dr ≈ 4π(1−ν)
ln r0
− 2 • Image characteristic: κ ≡ µ 2 −µ1
→ b∗ = κ, b∗∗ = 1 − κ.
0 r0 µ2 +µ1
µb2 αe R 1 µb
2
3 → +1 for rigid surface, -1 for free surface.
• Ee = Weel + Eecore = 4π(1−ν)
ln r0
≈ 1−ν 2
≈ E .
2 s
3(x−x0 )2 −y 2
 µbx
corr-x
• Mixed: EL (ϕ) = Ee + Es ≈ Ee [1 − ν cos2 ϕ]. σxx (x, y) = − 2π(1−ν) (4x0 xy)
 ((x−x0 )2 +y 2 )3
corr-x = µbx 2
(x−x0 ) (x+2x0 )−(3x−2x0 )y 2
H • ⊥ Edge: σyy 2π(1−ν)
(4x0 y) ((x−x0 )2 +y 2 )3
• Energy of Dislocation Loop: E = EL (ϕ)dL.
C (x−x0 )3 (x+x0 )−6x(x−x0 )y 2 +y 4
 µbx
 corr-x =
σxy (2x )
2π(1−ν) 0 ((x−x0 )2 +y 2 )3
∂ 2 EL (ϕ)
• Line Tension: T (ϕ0 ) = EL (ϕ0 ) + ∂ϕ2
.
Character ϕ Line Energy Line Tension 11 Partial and Extended Dislocations
• Edge π/2 Ee Te = (1/3)Ee • Partial Eq: f (2) = fedge +fscrew +fSF +fEscaig , where fSF = − dESF
dx
=
Screw 0 Es = (2/3)Ee Ts = (4/3)Ee −γSF and fEscaig = σyz bs .
• Glide and Climb: fg = τ b, fc = σb • Frank partials: Roman → Greek. Stair-rod: Greek → Greek.
  h  i
↔ ↔
• Thompson notation: n̂ points inward, n̂ × ξ̂ points leading.
• Peach-Koehler: f~ = ~b · σ × ξ̂ = ~b · σ · n̂ n̂ × ξ̂ .

• Extended node: Partials remain on same side of stacking fault. Con-
• f~(g/c) = f~ − f~ · n̂(g/c) n̂(g/c) . stricted: Partials switch sides (cross) at stacking fault.

10 Dislocation 13 Grain Boundary Geometry

 Interactions
 and Applications 
cos αR sin φR

↔(1)
~
• f (2) ~ (2)
= b ·σ (2)
× ξ̂ . • Rotation vector: T~R = t̂R · θ, where t̂R = sin αR sin φR
cos φR
(1) (2) " #
(2) (1) (2) µb b
• Parallel screw: fr = σzθ bz = z2πrz (êx · êx0 ) (êx · êy0 ) (êx · êz0 )
=⇒ Same sign: repel, Opposite sign: attract. • Misorientation: gAB = (êy · êx0 ) (êy · êy0 ) (êy · êz0 ) where gAB
(1) (2)
(êz · êx0 ) (êz · êy0 ) (êz · êz0 )
µbx bx x(x2 −y 2 )
(
(g) (1) (2)
fx = σxy bx = 2π(1−ν) (x2 +y 2 )2 is orthogonal, or gAB · (gAB )T = I.
• Parallel edge: (1) (2) .
(c) (1) (2) µbx bx y(3x2 +y 2 )  
fy = −σxx bx = 2π(1−ν) (x2 +y 2 )2
cos αB sin φB
• GB normal: n̂B = sin αB sin φB . || t̂R : twist. ⊥ t̂R : tilt.
β(β 2 −1) 1 cos φB
• Critical passing stress: τ = − (β 2 +1)2 → τ c = 4
.
• Coincidence sites form singular boundaries in E vs. θ graph.
(2) (1)
• x-comp interaction force: fx = b(2) (cos 2θ)σzy . • Σ number: Volume of primitive cell in CSL (odd for cubic lattices). 1
Σ
(2) (1) is volume density. gAB has rational numbers.
θ=0 fx = b(2) σzy > 0 repulsive
θ = π/4 fx = 0 no interaction • Reconstruction: Atoms at high energy near GB/singularities will read-
• θ = π/2
(2) (1)
fx = −b(2) σzy < 0 attractive just position.
θ = 3π/4 fx = 0 no interaction
(2) (1) 14 Grain Boundary Geometry
θ=π fx = b(2) σzy > 0 repulsive
  • Read-Shockley model: tan θ2 = b
2s
=⇒ θ ≈ b
s
.
(1) (2) s/R
• Circular vacancy loop: Fytotal = − µb b
√ −1 . 1 µb 2
αe R


π(1−ν) (s/R)2 −1 • ELAGB = E
s e
= 4πs(1−ν)
ln b
=⇒ Aθ[B − ln θ].
E θ
 θ


(0)
 µb 1
 µb τf → B = 1 + ln θmax =⇒ = 1 − ln .
• fx = τ+ 2π(1−ν) s
− τf b, s = 2π(1−ν)τ
→τ = 2
. Emax θmax θmax

(0) τf • Polygonization: Rearrangement of geometrically necessary dislocations

• Pile-up phase boundary: fx = τ b + N τ b − τf b− → τ = N +1
. (formed from bending) upon annealing.
√
√ 2 • Cahn-Nye relation: ρG = 1
= κ
.
• Taylor hardening: τc = αµb p, where α = 8π(1−ν)
. Rb b
yPBC
P+∞
• Orowan bowing formula: τc = µb
. • σij (x, y) = n=−∞ ij
σ (x, y − nLy ).
L−d
N
→ Periodic in y (sin / cos), decays exponentially in x.
• Average shear strain rate: γ˙p = ρm bv, where ρm = hl
.
yPBC sgn(x)µby
P • Non-zero stress field: lim σyy (x, y) = .
• Plastic axial strain rate: ε̇p = i
cos λi cos ϕi γ̇pi . |x|→∞
(1−ν)Ly

µb

 αs


• Mobile density: ρm = ρm0 + δb γp , δ ≡ 1
λ
is breeding param. • Twist boundary: Screw network. E = 2π
θ ln 2
− ln θ