04 Imperfections

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Solidification &

Crystalline Imperfections

Chapter 4-
Today’s Agenda
Processing Structure Properties Performance
 Atomic/Molecular St.Mechanical
x: casting Cost
 Bond structure Electrical Reliability
 Crystal Structure Optical Efficiency
Defect Structures Thermal Service Life
Microstructure Magnetic ...
Energy Band Structure

Melt

SOLIDIFICATION

Chapter 4-
Solidification of Metals
• The solidification of metals and alloys is an
important industrial process since most metals are
melted and then cast into semifinished of finished
shape.
• When molten alloys are cast, solidification starts
at the walls of the mold.

Chapter 4-
1. Solidification of

Polycrystalline Material
Almost all engineering crystalline materials are
composed of many crystals.
• Two steps of solidification:
1.Nucleation: Formation of stable nuclei in the melt
2.Growth: Crystals grow until they meet each other
Liquid
Nuclei

Crysta Grains
ls
that
will Grain
form boundari
grains es Chapter 4-
Perfect Structure

Chapter 4-
CRYSTALLINE IMPERFECTIONS

Why are we interested


IMPERFECTIONS IN SOLIDS ?
“Crystals are like people, it is the defect in
them which tend to make them interesting!” -
Colin Humphreys.

stals in nature are never perfect, they have defect

Chapter 4-1
Imperfections in Solids
Is it enough to know
bonding and structure
of materials to
estimate their macro
BONDING properties ?
+ PROPERTIES
STRUCTURE Color/Price of Precious
Stones
+ Mechanical Properties
of Metals
DEFECTS Properties of
Semiconductors
Defects Corrosion
do have of a Metals
significant impact on
the properties Chapter
of 4-
(II) oxide  Blue-green
ur  yellow
 black
nium  ruby red
nium  yellow-Brown
ium  Fluorescent yellow-green
Chapter 4-
Chapter 4-
Imperfections in Solids
tals in nature are never perfect, they have defects

Defects in Solids
0-D, Point defects
Vacancy Atoms in irregular
Interstitial

PROPERTIES
positions

MATERIALS
Substitutional
1-D, Line Defects / Dislocations
Planes or groups of
Edge atoms in irregular
Screw positions
2-D, Area Defects / Grain boundaries
Interfaces between
Tilt homogeneous regions of
Twist atoms
3-D, Bulk or Volume defects
Crack, pore
Secondary Phase Chapter 4-
Imperfections in Solids

Atomic Composition

Thermo-Mechanical
Bonding

Processing
Microstructure:
Materials properties
X’tal Structure

Addition and manipulation of defects

Chapter 4-
Perfection…
In terms of:
1. Chemical composition – pure
2. Atomic arrangement – defect free

• Both are critical in determining the


performance of material.
• Real engineering materials are not
perfect.
• Properties can be altered through
defect engineering.

Chapter 4-
Classification of Defects

The defects are classified on


the basis of dimensionality:
• 0-dimensional: point defects
• 1-dimensional: line defects
• 2-dimensional: interfacial
defects
• 3-dimensional: bulk defects

Chapter 4-
0 dim: Point Defects
- localized disruption in regularity of the lattice
- on and between lattice sites Vacancy Substitutiona

3 Types :
1. Substitutional Impurity
- occupies normal lattice site
- dopant ☺, e.g., P in Si
- contaminant Li+ in NaCl
InterstitialSelf-interstitial
2. Interstitial Impurity
- occupies position between lattice sites
- alloying element ☺, e.g., C in Fe
- contaminant, H in Fe
3. Vacancy
- unoccupied lattice site
- formed at time of crystallization 14
Chapter 4-
POINT DEFECTS
• Vacancies:
acant atomic/lattice sites in a structure.

Vacancy
distortion
of planes

• Self-Interstitials:
-"extra" atoms positioned between atomic sites.

self-
distortion interstitial
of planes

Chapter 4-3
EQUIL. CONCENTRATION:
POINT DEFECTS
• Equilibrium concentration varies with temperatur

No. of defects Activation energy

ND   Q 
exp
 D 

N  kT 
No. of potential Temperature
defect sites. Boltzmann's constant
(1.38 x 10-23 J/atom K)
(8.62 x 10-5 eV/atom K)
Each lattice site
is a potential
vacancy site
Chapter 4-4
MEASURING ACTIVATION ENERGY

• We can get Q from ND   Q 


an experiment.
exp
 D 

N  kT 
• Measure this... • Replot it...

ND ND slope
1
ln
N N
-QD/k
exponential
dependence!

T 1/T
defect concentration
Chapter 4-5
ESTIMATING VACANCY CONC.
• Find the equilibrium # of vacancies in 1m3
of Cu at 1000C.
• Given:
/cm3
 = 8.4 g ACu = 63.5g/mol
QV = 0.9eV/atomNA = 6.02 x 10 23 atoms/mole
0.9eV/atom
ND  Q 
exp D 
 -4
= 2.7 · 10
N  kT 
1273K
8.62 x 10-5 eV/atom-K
NA
For 1m3, N =  x x 1m3 = 8.0 x 1028 sites
ACu
• Answer:
ND =2.7 · 10-4 · 8.0 x 10
28 sites =2.2x 1025 vacancies
Chapter 4-
Point Defects: Vacancies &
Interstitials
• Most common defects in
crystalline solids are
point defects.
• At high temperatures,
atoms frequently and
randomly change their
positions leaving behind
empty lattice sites.
• In general, diffusion
(mass transport by atomic
motion) - can only occur
because of vacancies.

Chapter 4-
Exercise on Point Defects

Schematic representation
of a variety of point
defects: ANSWER
(1) vacancy;
Ei > Ev , so ?
(2) self-interstitial;
less distortion cau
(3) interstitial
impurity;
(4,5) substitutional
impurities

The arrows represent the


local stresses
introduced by the Chapter
point 4-
defects.
Chapter 4-
LINE DEFECTS
Dislocations:
• are line defects,
• cause slip between crystal plane when they
move,
• produce permanent (plastic) deformation.
Schematic of a Zinc Crystal
• (HCP):
before deformation • after tensile elongation
slip steps

Chapter 4-11
WEB SITE

http://professor.wiley.com/CGI-BIN/LANSAWEB?PROCFUN+PROF1+PRFFN22

Chapter 4-
Dislocations

• Dislocations are linear defects:


the interatomic bonds are
significantly distorted only in
the immediate vicinity of the
dislocation line. This area is
called the dislocation core.
• Dislocations also create small
elastic deformations of the
lattice at large distances.

Chapter 4-
Issue at Hand

BASIC THINKING: DISLOCATIONS !


The energy required to The explanation came in 1934 when Orowan,
deform a crystal in the Polanyi, and Taylor postulated the existence
of dislocations* in crystal structures.
manner described above Dislocations can be visualized as an extra
will require the lattice planes inserted in the crystal, but not
breaking all of the extending through all of the crystal but
bonds on one plane of ending in the dislocation line (HALF -
PLANE).
atoms ! Dislocation motion allows for the slip –
However, measured forces plastic deformation- of crystals.
required to induce *Volterra and by Timpe in 1900’s !
similar deformations in
Ifsingle
half acrystals
piece ofwere
paper is inserted in a stack of
paper,
much the defect
lower. How in the
come ? stack is only noticeable Chapter 4-
at the edge of the half sheet.
Dislocation Motion

Slip Plane

DISLOCATION CORE:
Induces a stress field due to local
distortions in the structure

HOW DOES A DISLOCATION MOVE ?


USE CD HERE ! Chapter 4-
1 Dimensional: Line Defects
Dislocations
• Dislocations are linear defects: the
interatomic bonds are distorted only in the
vicinity of the dislocation line. This area is
called the dislocation core.
• Dislocations also create small elastic
deformations of the lattice at large distances.

Chapter 4-
27
DISLOCATIONS
Dislocation motion is analogous to movement
of a caterpillar:
The caterpillar instead of spending a lot
of energy to move its entire body at once,
moves its forward a bit and creates a hump,
ie a dislocation ! The hump then
propagates along the caterpillar and moves
the caterpillar by a small amount.

•Material permanently deforms as


dislocation moves through the crystal.
• Bonds break and reform, but only along
the dislocation line at any point in time,
not along the whole plane at once. Chapter 4-
• Dislocation line separates slipped and
Edge Dislocation Screw Dislocation
The dislocation line moves in the direction of the The dislocation line motion is perpendicular
applied shear stress. to the stress direction.

•A useful way to describe a dislocation is to use Burgers Circuit:


•A Burgers Circuit is any atom to atom path taken in a crystal
containing dislocations which forms a closed loop.
•The vector used to close the circuit around a dislocation is
called Burgers Vector, b.
•Burgers vector describes the size and the direction of the
main lattice distortion caused by a dislocation
Chapter 4-
More About Dislocations
Mixed Dislocations

Chapter 4-
DISLOCATIONS & CRYSTAL STRUCTURE
• Structure: close- view onto two
packed close-packed
planes.
planes &
directions
are preferred. close-packed directions
close-packed plane (bottom)close-packed plane (top)
• Comparison among crystal structures:
FCC: many close-packed planes/directions;
total # is 12
HCP: only one plane, 3 directions;
BCC: none
Zn hcp crystal

Chapter 4-14
Close Packed Structures

Chapter 4-
Plastic Deformation
Plastic deformation in
metals is produced by
movement of dislocations or
slips, which can be
considered analogous to the
distortion produced in a
deck of cards.

Chapter 4-
Dislocations and Materials
Strength
• FCC metals are in general more
ductile; plastically deform well
before failure
• HCP metals are in general less
ductile
• BCC metals are stronger due to
intersecting slip planes;
limited dislocation activity;
work harden very quickly
Chapter 4-
Imperfections in Solids
Dislocations are visible in electron micrographs

Adapted from Fig. 4.6, Callister 7e.


Chapter 4-
Dislocations and Materials
Strength

Easily form
dislocations and
allow mobility;
Not limited with
coordination numbers

Remember Covalent
Bond !
How many bonds to
break ?
Finding an equivalent
site ?
Very large Burgers
vector size;
Finding an equivalent
site and overcoming
repulsive forces ! Chapter 4-
Interfacial Defects - Planar
Defects
Grain Boundaries:
Surface imperfections in polycrystalline materials that
separate grains (crystals) of different orientation.

Photomicrographs of
SEM (Scanning electron microscope) 37
typical microstructures
Chapter 4-
image of annealed brass
Planar Defects in Solids
• One case is a twin boundary (plane)
– Essentially a reflection of atom positions across the twin plane.

• Stacking faults
– For FCC metals an error in ABCABC packing sequence
– Ex: ABCABABC

Adapted from Fig. 4.9, Callister 7e.

Chapter 4-
Imperfections in Solids

• Solidification- result of casting of


molten material
– 2 steps
• Nuclei form
• Nuclei grow to form crystals – grain structure
• Start with a molten material – all
liquid

nuclei crystals growing grain structure


liquid Adapted from Fig.4.14 (b), Callister 7e.

• Crystals grow until they meet each


other
Chapter 4-
Polycrystalline Materials

Grain Boundaries
• regions between
crystals
• transition from lattice
of one region to that
of the other
• slightly disordered
• low density in grain
boundaries
– high mobility
– high diffusivity
– high chemical reactivity

Adapted from Fig. 4.7, Callister 7e.

Chapter 4-
Chapter 4-
Chapter 4-
AREA DEFECTS: GRAIN BOUNDARIES
Grain boundaries:
• are boundaries between crystals.
• are produced by the solidification
process, for example.
• have a change in crystal Metal
orientation
across them.
Schematic Ingot~ 8cm
• impede dislocation motion.

grain
boundaries

heat
flow Adapted from
Adapted from Fig. 4.7, Callister Fig. 4.10, Callister 6e. (Fig. 4.10 is from
6e. Metals Handbook, Vol. 9, 9th edition,
Metallography and Microstructures, Am. Society
Chapter 4-15
for Metals, Metals Park, OH, 1985.)
3 Dim: Volume Defects
• Form when a cluster of point defects join
• Vacancies join:
– voids
– Pores F. Gao,J. Qu, Materials Letters Volume 73, 15
Apr.2012, 92–94
• Cracks

• Cluster of impurity
atoms join
 precipitate

Chapter 4-
SUMMARY

Atomic Composition

Thermo-Mechanical
Bonding

Processing
MICROSTRUCTURE

X’tal Structure

Addition and manipulation of defects

Chapter 4-
Disorder

Single Crystal Polycrystalline Amorphous


Grain boundaries

Grains

46
Chapter 4-
Summary
• Point, Line, and Area defects exist in solids.

• The number and type of defects can be varied


and controlled (e.g., T controls vacancy conc.)

• Defects affect material properties (e.g., grain


boundaries control crystal slip).
• Defects may be desirable or undesirable
(e.g., dislocations may be good or bad, depending
on whether plastic deformation is desirable or not.)

Chapter 4-

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