03-Imperfections in Crystals - F'17 PDF

Imperfections in Crystals:
Vacancies, Interstitials, &

Dislocations
J. Ernesto Indacochea
CME 470:
Physical & Mechanical Properties of Materials
Introduction: Types of Defects
2
CME 470 Phys. & Mech. Properties of Materials J. Ernesto Indacochea UIC
Vacancies
Most important defect in crystals and help
explain the phenomenon of solid state
diffusion in crystals.
Motion of a vacancy in a crystal:
3
Vacancies
Atom missing from a normal lattice site.
Vacancies are introduced during solidification, by
heating at high Ts, or as a consequence of
radiation damage.
Vacancy
distortion
of planes
4
Vacancies
Vacancy concentration depends exponentially on
temperature:
qf

k T
Nv
Nv No e
N
No: total # of atomic sites
qf:energy of formation of vacancy. exponential
k: Boltzmanns constant dependence!
= 1.38 x 1023 J/atom-K T
= 8.62 x 10-5 eV/atom-K
defect concentration
T: absolute temperature (K).
N A q f Qf

N A k T
Nv No e
No e RT
5
Vacancies: Activation Energy (Qf)
We can get Qf from an experiment.
Qf
Nv
Nv Q f 1
e RT
ln
No No k T
Replot it...
Nv slope
ln
N
- Q v /k
1/ T 6
Vacancy Motion
Energy barrier that an

atom needs to overcome
to jump into a vacancy
7
Vacancy Motion
The probability for a vacancy to jump can be
related to that of an atom to jump.
This can be expressed as:
qm: activation energy of jump
qm
k: Boltzmann constant
rm A e kT T: absolute temperature (K)

A: proportionality constant
N A q m Qm

N A kT
rm A e Ae RT
8
Vacancy Motion
More interested in the number of jumps an
average atom makes, when the crystal contains
an equilibrium number of vacancies:
Qf Q
Nv m
ra rm e RT
Ae RT
No Atom jumps depends on 2 energies.

Q f Qm The two energies are additive.
The jumps are extremely sensitive to
ra A e RT temperature:
Cu at 1350K : 1 vacancy/1000 atoms
Cu at 300K: 1 vac./5 x 1015 atoms
For same temperature range ra
decreases by a factor ~ 1016 9
Impurities in Solids:
Solid Solutions
10
Impurities in Solids: Solid Solutions
Solid solutions:
Result from addition (dissolution) of solute atoms to the solvent.
The crystal structure is maintained and no new structures are
formed.
A solid that consists of two or more elements atomically dispersed
in a single-phase structure.
11
Interstitial Atoms
Next to a vacancy, it is the most important point
defect in a metal crystal.
Atoms ate located at interstices or holes
between regular lattice sites.
Two types:
Small atoms (e.g. C, H, N, O):
Occupy a small fraction of the available interstitial sites.
It is called an interstitial solid solution.
Atom occupying regular atomic site trying to occupy
an interstitial site gross distortion of the lattice
12
Interstices or Holes in Crystal
Structures
These are empty spaces between normal atom sites.
They are sites were small atoms can fit.
The sizes vary according to the crystal structure.
ri 0.414 r ri 0.225 r
13
Structures
14
Structures
ri 0.155 r ri 0.291 r
15
Solid Solutions:
Interstitial Solid Solutions
Small impurity atoms fill the voids or interstices among
the host atoms
For metallic materials with high atomic factors, these
interstitial positions are small.
16
Solid Solutions:
Interstitial Solid Solutions
Impurity atoms fill the voids or interstices among the host

atoms
17
Dislocations
Dislocations help explain the deformation and the
strengthening of metals.
18
Types of Dislocations
Edge:
Extra half-plane inserted into an otherwise ideal lattice
Increases the elastic distortion of the lattice
Severe distortion in the vicinity of the end point of inserted plane.
compression
tension
19
Motion of Edge Dislocation
Dislocation motion requires the successive bumping
of a half plane of atoms (from left to right here).
Bonds across the slipping planes are broken and
remade in succession.
Atomic view of edge

dislocation motion from
left to right as a crystal
is sheared.
20
Edge:
Types: positive and negative
21
Screw:
predominantly involved in the plastic deformation of BCC
metals.
Types: right hand side, and left hand side.
22
Screw Dislocation: Motion
23
Mixed Dislocation:
24
Characterization of Dislocations
Burgers vector:
b, expresses the magnitude and direction of the main lattice
distortion.
It is always parallel to the slip direction
dislocation line.
25
Characterization of Dislocations
Burgers vector (b):
b, expresses the magnitude and direction of the main lattice
distortion.
It is always parallel to the slip direction
dislocation line.
Note at the end portion of the crystal has been displaced a shear
strain (slip step)
26
Dislocations
Low Carbon Steel

Ti alloy
27
Dislocations
28
Dislocations and Plastic Deformation
Fundamental Concepts:
Plastic deformation motion of a large number of dislocations.
Dislocation motion repeating breaking of bonds and shifting by
interatomic distances.
As the dislocation passes the top plane shifts one atomic distance
slip; slip plane
slip
Analogy of
dislocation
motion to
caterpillar
locomotion.
29
Slip Systems
Dislocation mobility: depends on the crystalline
directions or planes.
Dislocations move with greater ease along preferred
planes (slip planes) and preferred directions (slip
directions).
30
Slip Planes and Directions
Slip or glide occurs preferentially on planes of high
atomic density.
General rule: separation between // planes varies
directly as the degree of packing in the planes:
Crystals are sheared most easily on planes of wide
separation.
Slip, however, can also occur on planes other than the
most closely packed.
Slip has to be visualize with the movement of
dislocations.
Dislocations will move along planes of wide spacing
where lattice distortion is minimum.
Slip direction is also a close packed direction. This
is a stronger requirement for practical purposes.
31
Slip Systems
The combination of slip plane & slip direction is
termed slip system.
Slip system = slip directions/plane
z
For fcc structure:

ao # slip directions in (111) = 3
# of slip planes in fcc = 4
y
(111), (111), (111), (111)
total # of slip systems = 4 planes
x x 3 slip direction/plane = 12
32
Slip Systems
33
Deformation by Twinning:
Some metals deform by the formation of twins.
Deformation by slip is discontinuous in distinct
atomic spacing multiples.
Twinning is homogeneous; atomic displacement
is < 1.
34
Deformation by Twinning:
Twinning also occurs on a definite crystallographic
plane and in a specific direction. For BCC: (112)
[111].
Mechanical twinning occurs in HCP and BCC
metals at low temperatures and at high loading
rates.
Twinning may orient new

slip systems with the
stress axis favoring slip.
35
Interfacial Defects
Grain Boundaries: boundaries separate two
crystals (grains) having different crystallographic
orientations in a polycrystalline material.
36
Grain Boundaries
Low-angle grain boundary.
High-angle grain boundary.
Grain boundaries are chemically more
reactive.
Impurity atoms preferentially tend to
segregate to g.b.
The interfacial energy is higher in fine
grain structures.
At Thigh grains grow to reduce the total
interfacial energy.
High-angle grain boundaries play an important role in
determining the properties of a metal. At low temps, gr. bdrs.
are as a rule, quite strong and do not weaken in metals.
In heavily strained pure metals, and most alloys, fail at low
temperatures, by transcrystalline fracture.
@ Thigh and low strain rates, gr. bdrs. lose their strength
more rapidly than do crystals. Fracture is intergranular.
37
Low-Angle Grain Boundaries
The energy is tied up with the atoms being pushed or

pulled out of their normal lattice sites.
The strain energy is associated with every dislocation,
and thus it is expected that the same strain energy must
be associated with an array of dislocations
38
Low-Angle Grain Boundaries
The angle of misalignment is related to the density of
dislocations at the interface.
D: distance between dislocations; : misorientation
between grains; b : Burgers vector
39
Interfacial defects
External Surfaces:
Surface atoms are at a higher energy state than internal atoms due
to broken bonds.
Surface energy is excess energy resulting from the un-bonded
atoms (J/m2 or ergs/cm2).
Materials tend to take shapes that minimizes the surface energy, e.g.
water drop.
40
Interfacial defects: Twinning
Mechanism of deformation in some materials.
It does not involve slip.
Occurs as a result of an applied stress. Takes
place more often in hcp metals when orientation
for slip is not favored and in bcc metals at low
temperatures.
They show mirror lattice symmetry.
41
Twinning
42
Microscopic Examination
Macroscopic examination:
Features that are observed
with unaided eye, e.g.
grains, cracks.
Microscopic examination:
Details that can only be
resolved using some type
of microscope: optical
(light) or electron
microscopes.
Components of an optical
microscope.
Metallographic preparation.
43
Microscopic Examination
Electron Microscopy
Light optical microscope: SEM only in scanning
Resolution: 2000X (upper limit). mode. 50-100KX
Visible light source magnification. Conductive
surface needed.
Electron microscopes:
Magnifications: 106X
Use electron beams ( = 0.003 nm)
Electrons accelerated at high voltages.
Electron beam is focused and the
image formed with magnetic lenses.
TEM the electrons pass through the
specimen. Image contrasts produced
by differences in beam scattering or
diffraction from the different elements
of the microstructure.
SEM: electrons are reflected.
44
Imperfections in Solids
Scanning Electron Microscope
45
Grain Size
Grain Size Determination:
For magnifications > 100X
Properties of polycrystalline
n = na + q
materials are affected by their
q = 6.644 x log (M/100)
grain size.
Methodology intercept method
# of grains intercepted by each
line counted
Line length is divided by ave. #
grains intersected.
Divide this last ratio by the
linear magnification of
photograph.
ASTM Standard
N = 2 n - 1, n = gr. Size # (1 - 10)
N = ave. # grains/ in2 at 100X 100X
46
Grain Size
47
Grain Size
48
Grain Size
Low carbon steel specimens
49

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Imperfections in Crystals:

Vacancies, Interstitials, &

Energy barrier that an

rm A e kT T: absolute temperature (K)

No Atom jumps depends on 2 energies.

Impurity atoms fill the voids or interstices among the host

Atomic view of edge

Low Carbon Steel

For fcc structure:

Twinning may orient new

The energy is tied up with the atoms being pushed or

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