2018. 03. 20.

BME, Department of Materials Science and Engineering

Dr. István Mészáros

Crystal imperfections,
plastic deformation ...

2018.

Amorphous
Single crystalline
Poli crystalline

Lattice parameter: 0,3-0,5 nm

Grain size: 0,1 mm 2

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 2018. 03. 20.

Real crystals, crystal imperfections

• Yield stress of the used materials is just about 1 % of the

theoretical.
• 10-8 mass % boron doping double the electrical
conductivity of pure Si.

CRYSTAL IMPERFECTIONS

Types of crystal imperfections

• Point defects (0 dim.)
• Line defects (1 dim.) dislocations
• Surface defects (2 dim.)
• Volume defects (3 dim.)

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Point defects
•Vacancy (empty lattice point)
•Self interstitial
•Foreign atom (intersitial, substitutional position)
•Complex point defects (di-, tri-vacancy, foreign atom-vacancy
pair...)

Thermal activated defects

Vacancy (empty lattice point)

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Substitutional atom

Interstitial atom

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Mechanisms of point defect generation

Frenkel’s mechanism

Frenkel vacancy-self
interstitial pair

Wagner-Schottky’s mechanism

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Equilibrium concentration of point defects

-
Eakt EVacancy = 1 - 2eV
n = N ×e kT
ESelf int erstitial = 4 - 6eV
R T = 300 K
k= = 1,38 × 10-23 J / K (1eV ,5eV )
NA
NV
» 1067
N SI
Lattice distortion Û activation energy

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6,0E+19

5,0E+19
Number of
vacancies
Vakanciák száma

4,0E+19

3,0E+19 1 cm3 metall

2,0E+19
~ 1022 atoms
1,0E+19
Eact = 1 eV
0,0E+00
0 500 1000 1500 2000 2500
Hőmérséklet [K]
1,0E+20

1,0E+16
Vakanciák száma

1,0E+12

1,0E+08

1,0E+04

1,0E+00
0 500 1000 1500 2000 2500
Hőmérséklet [K] 12

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Point defect generating processess

•Plastic deformation
•Non equilibrium cooling (quenching)
•Particle irradiation (fast neutron ® defect cascade)

Disappearence of point defects

•Diffusion process
•Grain boundary
•Edge dislocation interaction (creep)

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Dislocations
Frenkel’s theoretical yield stress calculation

Calculated / measured yield stress values:

Fe: 440, Al: 423, Cu: 769
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Needle crystal (whisker, 1950) capacitor Zn, d = 0,1- 0,001 mm

1934: Taylor Fransis, Emil Orován, Mihály Polányi
1960: TEM

Def. dislocation: the boundary line between the slipped and

non-slipped regions.

Edge dislocation Full (perfect) dislocation

Screw dislocation Partial dislocation
Mixed dislocation

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TEM dislocation picture 40.000x

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Burgers-circuit

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Edge dislocation
Line of dislocation: l
Slip plane given
Þ mobility small
Extra half plane
Burgers vector: b

b^l

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Screw dislocation
Line of dislocation: l
No given slip plane
Þ Mobility large
No extra half-plane !
Burgers vector: b

b II l

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Mixed dislocation
Partial slip
3D curve sytem
0 - 90°

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Basic properties of dislocations

•Dislocation: the boundary line between the slipped and

non-slipped regions
•Linear (1D) (can be curve as well)
•Starts and finishes at the macroscopic surface. Or a closed
circle within the crystal.
•The slip is the same along the whole dislocation line
•The Burgers vector lies on one of the closest packed
directions and b = d (only for perfect dislocations)

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Energy of dislocations
Stress (tensile, compressive)
e perp
Extra energy content
n=
e par
Wsrew = Gb 2l s = E ×e
Gb 2l t = G ×g
Wedge =
1 -n E = 2G (1 +n )

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Role of dislocations in the mechanism of

plastic deformation

Plastic deformation Û
movement of dislocations.

The amount of strored

erergy does not change.

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Change of dislocation density

during plastic deformation

Definitions
Annealed: 1010-1011 m-2
Deformed: 1014-1016 m-2
105-107 km/cm3
(work hardening)
Total disloc. length in km/cm3
Yield stress – disloc. density
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Measurement of
dislocation density

LiF single crystal (100), etch pits

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The rules of dislocation movement

The dislocation slip can be only in the plane which is
determined by the line of dislocation and it’s Burgers vector.
Þ Edge dislocation: 1 plane
Screw dislocation: ¥ planes (theoretically)
The movement of dislocation always occurs in the closest
packed plane and in the closes packed direction. Þ Slip
systems
Possibilities for slip plane change
Screw ® cross slip
Edge ® creep ® cavities on the grain boundary

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Slip systems
Number
Number of slip
of non- direction Number
Lattice Slip Slip parallel s in a of slip
plane direction planes plane systems

Slip system: slip plane + slip direction

In a given crystal structure:
The crytical shearing stress is the same in each slip systems.
Energetically equivalent systems. 27

Sliping possibilities, FCC (111)

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Interaction of dislocations
The edge dislocations with opposite sign can annihilate each other (on the
same slip plane). The screw dislocations with opposite rotation can
annihilate each other.

Interaction (force) of dislocations with opposite sign:

q = 45° equilibrium
q < 45° repulsion
q > 45° attraction

Interaction of dislocations with the same sign:

Ordering along a line Þ low angle phase boundary (subgrain)

Unification and decomposition of dislocations

(Energetical condition)
b1b2 < 0 (α > 90°) Þ unification
b1 + b2 Û bresult
b1b2 > 0 (α < 90°) Þ decomposition
2
bresult = b12 + b22 + 2b1b2 29

Annihilation of edge dislocations

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Examples for dislocation reactions

a/2 [110] + a/2 [110] ® 0 annihillation

a/2 [110] + a/2 [101] ® a/2 [011] stable
a/2 [101] + a/2 [011] ® a/2 [112] unstable

b1b2 < 0 (α > 90°) Þ unification

b1b2 > 0 (α < 90°) Þ decomposition

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Lomer dislocation

FCC
Slip on two planes
Resulted dislocation.: line of intersection
Stable
Edge dislocation
Not in slip splane
UNABLE TO MOVE (FIXED)

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Generation of dislocations
Frank-Read mechanism (source)

2Gb
t= cos a
Half circle D
unstable 2Gb
t Max =
D
Closed circle
a =0 33

Frank-Read source

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Frank-Read source TEM image

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Plastic deformation of single crystals

Plastic deformation: the slip planes move
on each other along slip directions.

F cos b
t= = s cos b cos a = s × m
A
cos a

m: Schmid-factor

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Plastic deformation of single crystals

Simple slip: deformation (slip) only in one slip system
Multiple slip: deformation (slip) in more than one slip system in the same time

FCC
4 {111} planes
2-2 <110> directions

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Plastic deformation of single crystals

I. : simple slip (step like surface, large number of disloc. Mvt. Þ Frank-Read)
II.: multiple slip (Lomer-obstacles Þ large work hardening)
III.: cross slip, twinning
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Plastic deformation of a Zn
single crystal in the I.st range
Intersecting slip lines in a Cu
single crystal
Intersection of slip plane and
slip direction

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Plastic deformation with twinning

Dislocation slip: slip only in same slip planes

Twining: movement of all planes in the twin region

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Plastic deformation of policrystals

Multiple slip in each grains.

Work hardening is more intensive.
I. st range missing
Larger stresses than in case of single
crystals.

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Work hardening of policrystals

Hall-Petch equation
(low yield stress)

k
s0 = si +
d

The stress field of the dislocations along grain boundaries start the plastic
deformation in the neighbouring grain.
Grain size ­Þ number of accumlating dislocation along grain boundaries ­
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Surface defects (2D)

Macro surface
Grain boundary (large-, or low angle)
Phase boundary (incoherent, semi-coherent, coherent)
Twin boundary (plane)
Stacking fault

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Grain boundary

Large angle
Low angle (q = 1-5°)

b
Q » tgQ =
D

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The characteristic distribution of boundary misorientations in

a completely randomly oriented set of grains for cubic
symmetry materials. 47

Incoherent
Phase boundary Semi-coherent
Coherent

Incoherent

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Semicoherent
(misfit dislocations)

Coherent
(Hetero-epitaxy)

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Arrangement possibilities of the

closest packed planes

ABCABC FCC
ABABAB HCP

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FCC - Closed packed hexagonal (HCP)

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Twin
boundary
FCC

ABCABCBACBA
Parallel line between
grain boundaries

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Stacking fault

ABCABCABABCABCAB
FCC - HCP - FCC
Closed circuit within the grain.

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Electron backscatter diffraction (EBSD)

Kikuchi-pattern

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CSL boundaries
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Teljes (perfekt) diszlokációk

Az olyan diszlokációkat amelyeknek Burgers- vektorát két
szomszédos atom határozza meg, teljes vagy perfekt
diszlokációknak nevezzük.
Köbös rácsban az [100], [110] és [111] irányú teljes
diszlokációk vannak.

Legrövidebb teljes diszlokációk 57

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Shockley’s partial dislocatons

A
B
f.k.k. C

a C’
[10 1 ]
2 a
6
[ ]
11 2
A
C
(111)
a
6
[21 1 ]
58
58

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Stacking fault energy (SFE)

Energia
a
2
[ ]
10 1 ®
a
6
[ ] [ a
11 2 + 2 1 1
6
]
C’ C
a 2
a 2
a2 a2 ¢A
b2 = > b12 + b22 = + =
2 6 6 3
Elmozdulás [10 1 ]
C A C
B C B
A B A
C A C
B C B
A A A
C C C
B B B
A A A
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Volume defects (3D)

(cavities, cracks, inclusion, gas bubbles, ...)

Cavity
line due
to creep.

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