Defect
Defect
1.1.1 Structure
Structure of a material usually relates to the arrangement of its internal components.
Subatomic - Structure involves electrons within the individual atoms and interactions
with their nuclei.
Atomic level- structure encompasses the organization of atoms or molecules relative to
one another.
Microscopic – Which contains large groups of atoms that are normally agglomerated
together.
Macroscopic – Viewable with the naked eye.
1.1.2 Property
A property is a material trait in terms of the kind and magnitude of response to a specific
imposed stimulus. Properties are made independent of material shape and size.
Example-
Properties of solid materials may be grouped into six different categories: (1) mechanical,
(2) electrical, (3) thermal, (4) magnetic, (5) optical and (6) deteriorative.
The four components of the discipline of materials science and engineering and their
interrelationship.
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1.1.3 Classification of Materials
Solid materials have been conveniently grouped into three basic classifications:
(1) metals, (2) ceramics, and (3) polymers.
1.1.3.1 Metals
Materials in this group are composed of one or more metallic elements (such as iron,
aluminum, copper, titanium, gold, and nickel), and often also nonmetallic elements (for
example, carbon, nitrogen, and oxygen) in relatively small amounts.
Atoms in metals and their alloys are arranged in a very orderly manner.
In comparison to the ceramics and polymers, are relatively dense.
Mechanical Property- relatively stiff and strong , ductile (i.e., capable of large amounts
of deformation without fracture), and are resistant to fracture.
Metallic materials have large numbers of nonlocalized electrons; that is, these electrons
are not bound to particular atoms.Many properties of metals are directly attributable to
these electrons.
Example, metals are extremely good conductors of electricity,and heat, and are not
transparent to visible light; a polished metal surface has a lustrous appearance.
Some of the metals (viz., Fe, Co, and Ni) have desirable magnetic properties.
1.1.3.2 Ceramics
Ceramics are compounds between metallic and nonmetallic elements; they are most
frequently oxides, nitrides, and carbides.
Examples-aluminum oxide (or alumina, Al2O3), silicon dioxide (or silica, SiO2),silicon
carbide (SiC), silicon nitride (Si3N4).
Examples of traditional ceramics — clay minerals (i.e., porcelain), cement, and glass.
Properties-
Relatively stiff and strong—stiffnesses and strengths are comparable to those of the
metals , very hard, extremely brittle (lack ductility),.highly susceptible to fracture.
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Thermal and electrical Properties- Insulative to the passage of heat and electricity low
electrical conductivities and are more resistant to high temperatures
Optical characteristics-Ceramics may be transparent, translucent, or opaque.
1.1.3.3 Polymers
Carbon-based compounds.
Chain of H-C molecules. Each repeat unit of H-C is a monomer e.g. ethylene (C2H4),
Polyethylene – (–CH2 –CH2)n.
Polymers include the familiar plastic and rubber materials.
Many of them are organic compounds that are chemically based on carbon, hydrogen,
and other nonmetallic elements (viz. O, N, and Si).
They have very large molecular structures, often chain-like in nature that have a
backbone of carbon atoms. Some of the common and familiar polymers are polyethylene
(PE), nylon, poly (vinyl chloride)(PVC), polycarbonate (PC), polystyrene (PS), and
silicone rubber.
Properties
Low densities, not as stiff nor as strong as ceramics and metals.
Extremely ductile and pliable (i.e., plastic).
Relatively inert chemically and unreactive in a large number of environments.
Limitations
Tendency to soften and/or decompose at modest temperatures, which, in some
instances,limits their use.
Low electrical conductivities and are nonmagnetic.
1.1.4 Composites
A composite is composed of two (or more) individual materials, which come from the
categories discussed above—viz., metals, ceramics, and polymers.
Objective-to achieve a combination of properties that is not displayed by any single
material
Examples
Cemented carbides (WC with Co binder)
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Plastic molding compounds containing fillers
Rubber mixed with carbon black
Wood (a natural composite as distinguished from a synthesized composite)
Materials that are utilized in high-technology (or high-tech) applications are sometimes
termed advanced materials.
Examples
Include electronic equipment (camcorders, CD/DVD players, etc.), computers, fiber-optic
systems, spacecraft, aircraft, and military rocketry, liquid crystal displays (LCDs), and
fiber optics.
These advanced materials may be typically traditional materials types (e.g., metals,
ceramics, polymers) whose properties have been enhanced, and, also newly developed,
high-performance materials.
Advanced materials include semiconductors, biomaterials, and what we may term“
materials of the future.
1.1.6 Biomaterials
Biomaterials are employed in components implanted into the human body for
replacement of diseased or damaged body parts.
These materials must not produce toxic substances and must be compatible with body
tissues (i.e., must not cause adverse biological reactions).
All of the above materials—metals, ceramics, polymers, composites, and
semiconductors—may be used as biomaterials.
Example-
Titanium and its alloy, Co-Cr alloy, stainless steel, zirconia, HA, TiO2 etc.
1.1.7 Semiconductors
Semiconductors have electrical properties that are intermediate between the electrical
conductors (viz. metals and metal alloys) and insulators (viz. ceramics and polymers).
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The electrical characteristics of these materials are extremely sensitive to the presence of
minute concentrations of impurity atoms, for which the concentrations may be controlled
over very small spatial regions.
Semiconductors have made possible the advent of integrated circuitry that has totally
revolutionized the electronics and computer industries (not to mention our lives) over the
past three decades.
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1.2 Defects in Solids
The term “defect” or “imperfection” is generally used to describe any deviation from the
perfect periodic array of atoms in the crystal.
The properties of some materials are extremely influenced by the presence of
imperfections such as mechanical strength, ductility, crystal growth, magnetic hysteresis,
dielectric strength, condition in semiconductors, which are termed structure sensitive are
greatly affected by the-relatively minor changes in crystal structure caused by defects or
imperfections.
There are some properties of materials such as stiffness, density and electrical
conductivity which are termed structure-insensitive, are not affected by the presence of
defects in crystals.
It is important to have knowledge about the types of imperfections that exist and the roles
they play in affecting the behavior of materials.
Crystal imperfections can be classified on the basis of their geometry as
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1.2.1 Point Defects in Metals
(a) Vacancies -The simplest of the point defects is a vacancy, or vacant lattice site, one
normally occupied from which an atom is missing. All crystalline solids contain
vacancies and, in fact, it is not possible to create such a material that is free of these
defects, vacant atomic sites in a structure.
(b) Self-Interstitials- when an atom occupies an interstitial site where no atom would
ordinarily appear, causing an interstitialcy.
(a) Vacancies- vacancies exist in ceramics for both cations and anions.
(b) Interstitials - interstitials exist for cations, interstitials are not normally observed for anions
because anions are large relative to the interstitial sites.
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(c) Frenkel Defect
To maintain the charge neutrality, a cation vacancy-cation interstitial pair occur together.
This is called a Frenkel defect. The cation leaves its normal position and moves to the
interstitial site. There is no change in charge because the cation maintains the same positive
charge as an interstitial.
(d) Schottky Defect
A cation vacancy–anion vacancy pair known as a Schottky defect. To maintain the
charge neutrality, remove one cation and one anion; this creates two vacancies.
The equilibrium number of vacancies for a given quantity of material depends on and
increases with temperature according to
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Where, N is the total number of atomic sites, Qv is the energy required for the formation
of a vacancy, T is the absolute temperature in kelvins, and k is the gas or Boltzmann’s constant.
1.38 x 10-23 J/atom-K.
Equilibrium Concentration:
∆
Problem
1. Find the equilibrium concentration of vacancies in aluminium and nickel at 0K, 300 K and
900K. Given Hf= 68 103 KJ /mol.
Solution-
(i) at 0K
68 10 ∆
ex p ∞ 0
8.314 0
(ii) at 300 K
68 10 ∆
ex p 27.26 1.45 10
8.314 300
2. Calculate the equilibrium number of vacancies per cubic meter for copper at 1000oC. The
energy for vacancy formation is 0.9 eV/atom; the atomic weight and density (at 1000oC) for
copper are 63.5 g/mol and 8.4 g/cm3, respectively.
Solution-
The value of N, the number of atomic sites per cubic meter for copper, from its atomic
weight its density and Avogadro’s number according to
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10
6.023 8.4 10
63.5 /
=8.0 1028 atoms/m3
Thus, the number of vacancies at 1000oC (1273K) is equal to
atoms 0.9 eV
N 8.0 10 exp
m 8.62 10 eV/K 1273K
= 2.2 1025 vacancies/m3
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Edge dislocations are represented by ‘’ or ‘‘ depending on whether the incomplete
plane starts from the top or from the bottom of the crystal.
These two configurations are referred to as positive and negative edge dislocations
respectively.
In this dislocation, the atoms are displaced in two separate planes perpendicular to
each other.
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(c) Mixed dislocations –
Most dislocations found in crystalline materials are probably neither pure edge
nor pure screw, but exhibit components of both types; these are termed mixed
dislocations.
Burgers vector
The magnitude and direction of the lattice distortion associated with a dislocation is
expressed in terms of a Burgers vector, denoted by a b.
The Burger vector can be found by the gap in the Burger circuit which is obtained by
moving equal distances in each direction around the dislocation.
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surface atoms that are not satisfied give rise to a surface energy, expressed in units of
energy per unit area (J/m2 or erg/cm2).
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1.2.7 Volume Defects
These include pores, cracks, foreign inclusions, and other phases. They are normally
introduced during processing and fabrication steps.
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1.3 Diffusion in solids
Diffusion is a process of mass transport by atomic movement under the influence of thermal
energy and a concentration gradient. Atoms move from higher to lower concentration region.
Figure 1 shows, pure copper and nickel at the two extremities of the couple, separated by an
alloyed region. Concentrations of both metals vary with position as shown in Figure1(c). This
result indicates that copper atoms have migrated or diffused into the nickel, and that nickel has
diffused into copper.
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must be met: (1) there must be an empty adjacent site, and (2) the atom must have sufficient
energy to break bonds with its neighbor atoms and then cause some lattice distortion during the
displacement.
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(I) Steady-state diffusion
Steady-state diffusion is the situation when the diffusion flux is independent of time. Fick’s
first law describes steady-state diffusion and is given by
Example-
Diffusion of atoms of a gas through a plate of metal for which the concentrations (or
pressures) of the diffusing species on both surfaces of the plate are held constant.
…….
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A solution to this equation can be obtained for a semi-infinite solid with the following boundary
conditions
For t=0, C = C0 at 0 x
For t > 0, C= Cs at x=0
C=C0 at x=
Application of these boundary conditions to Equation 1 yields the solution
Where, Do is the pre-exponential factor, Qd is the activation energy for diffusion, T is absolute
temperature in kelvin and R is gas constant.
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Mechanisms/modes of plastic deformation
Plastic deformation in crystalline solid is accomplished by means of various processes
mentioned below; among which slip is the most important mechanism.
Plastic deformation of crystalline materials takes place by mechanisms which are very different
from that for amorphous materials (glasses). Plastic deformation in amorphous materials occur
by other mechanisms including flow (~viscous fluid) and shear banding.
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The slip system depends on the crystal structure of the metal.
The slip plane is the plane that has the most dense atomic packing (the greatest planar
density). The slip direction is most closely packed with atoms (highest linear density).
In CCP, HCP materials the slip system consists of a close packed direction on a close
packed plane.
Just the existence of a slip system does not guarantee slip slip is competing against
other processes like twinning and fracture. If the stress to cause slip is very high (i.e.
CRSS is very high), then fracture may occur before slip (like in brittle ceramics).
For slip to occur in polycrystalline materials, 5 independent slip systems are required.
Hence, materials which are ductile in single crystalline form, may not be ductile in
polycrystalline form. CCP crystals (Cu, Al, Au) have excellent ductility.
At higher temperatures more slip systems may become active and hence
polycrystalline materials which are brittle at low temperature, may become ductile at
high temperature.
Number of slip
Crystal Slip plane(s) Slip direction
systems
{110}
NaCl (Ionic) ½<110> 6
{111} not a slip plane
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Slip in Single Crystal
If a single crystal of a metal is stressed in tension beyond its elastic limit, it elongates
slightly and a step appears on the surface due to the relative displacement of one part of
the crystal with respect to the others and the elongation stops.
Further increase in the load causes movement of another parallel plane, resulting in
another step. Similarly numbers of small steps are formed on the surface of the single
crystal that are parallel to one another and loop around the circumference of the
specimen.
Each step (shear band) results from the movement of a large number of dislocations and
their propagation in the slip system.
Extent of slip in a single crystal depends on the magnitude of shearing stress produced by
external loads, geometry of the crystal structure and the orientation of he active slip
planes with respect to the shearing stress.
Slip begins when the shearing stress on slip plane in the slip direction/Resolved Shear
Stress (RSS) reaches a critical value called the Critical Resolved Shear Stress (CRSS)
and plastic deformation starts (The actual Schmid’s law)
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Even if we apply an tensile force on the specimen the shear stress resolved onto the
slip plane is responsible for slip.
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Problem
1. Consider a single crystal of BCC iron oriented such that a tensile stress is applied along a
[010] direction.
(a) Compute the resolved shear stress along a (110) plane and in a [111] direction when a
tensile stress of 52 MPa (7500 psi) is applied
(b) If slip occurs on a (110) plane and in a [111] direction, and the critical resolved shear
stress is 30 MPa (4350 psi), calculate the magnitude of the applied tensile stress
necessary to initiate yielding.
Solution:-
Determine the value of ,the angle between the normal to the (110) slip plane (i.e., the
[110] direction) and the [010] direction using [u1v1w1] = [110], [u2v2w2] = [010] and the
following equation.
Similarly determine the value of λ, the angle between [111] and [010] directions as
follows:
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Yield Strength σY
30 MPa
y 73.4 Mpa
(cos 45)(cos 54.7)
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Twins are generally of two types: Mechanical Twins and Annealing twins
Mechanical twins are generally seen in bcc or hcp metals and produced under
conditions of rapid rate of loading and decreased temperature.
Annealing twins are produced as the result of annealing. These twins are generally
seen in fcc metals.
Annealing twins are usually broader and with straighter sides than mechanical twins.
(a) Mechanical Twins (Neumann bands in iron), (b) Mechanical Twins in zinc produced by
polishing (c) Annealing Twins in gold-silver alloy
Twinning generally occurs when the slip systems are restricted or when the slip systems
are restricted or when something increases the critical resolved shear stress so that the
twinning stress is lower than the stress for slip.
So, twinning generally occurs at low temperatures or high strain rates in bcc or fcc metals
or in hcp metals.
Twinning occurs on specific twinning planes and twinning directions.
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Bauschinger effect
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Work Hardening
Room temperature deformation.
Common forming techniques used to change the cross sectional area:
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Isotropic grains are approx. spherical, Anisotropic (directional) since rolling
equiaxed & randomly oriented. affects grain orientation and shape.
Recovery
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This process also removes the residual stresses formed due to cold working significant.
The recovering of physical and mechanical properties varies with the temperature and
time.
Recovery is a relaxation process with the following characteristics:
Where,
t is the time of heating under constant temperature
x is the fraction of property increase caused by cold work after heating
c is a constant related with material and temperature
The value of constant parameter c can be described with the Arrhenius equation:
Recrystallization
After recovery is complete, the grains are still in a relatively high strain energy state.
Recrystallization is the formation of a new set of strain-free and uniaxial grains that have
low dislocation densities.
The driving force to produce the new grain structure is the internal energy difference
between strained and unstrained material.
•The new grains form as very small nuclei and grow until they consume the parent
material.
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Recrystallization is a heterogeneous process and dependent on the deformation state of
steels.
The kinetics of recrystallization depends on nucleation rate, N, and growth rate, G.
Grain Growth
After recrystallization, the strain-free grains will continue to grow if the metal specimen
is left at elevated temperatures. Grains begin to grow via grain boundary immigration;
this phenomenon is called grain growth.
Grain growth is driven by the tendency to decrease the total boundary surface energy by
decreasing the grain boundary area.
Fig.1.1. (a) Work hardening, (b) recovery, (c) recrystallization, and (d) grain growth during
annealing.
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