2 Structure and Deformation in Materials Lecture 2

Structure and Deformation in Materials
Lecture 2
Stephen Lee
Page 1
Imperfections in Solids
There is no such thing as a perfect crystal.
 What are these imperfections?
 Why are they important?
Many of the important properties of materials are due to the presence of imperfections.
 The concept of a perfect lattice is adequate for explaining structure insensitive properties
(esp. for metals).
 But, to understand structure-sensitive properties, it is necessary to
 consider numerous lattice defects.
 Practically all mechanical properties are structure-sensitive properties
Page 3
Types of Imperfections
• Vacancy atoms
• Interstitial atoms Point defects
• Substitutional atoms
• Dislocations Line defects
• Grain Boundaries Area defects

Point Defects in Metals
• Vacancies:
-vacant atomic sites in a structure.
Vacancy
distortion
of planes
• Self-Interstitials:
-"extra" atoms positioned between atomic sites.
self-
interstitial
distortion
of planes
Imperfections in Metals (i)
Two outcomes if impurity (B) added to host (A):

• Solid solution of B in A (i.e., random dist. of point defects)
OR
Substitutional solid soln. Interstitial solid soln.

(e.g., Cu in Ni) (e.g., C in Fe)
• Solid solution of B in A plus particles of a new
phase (usually for a larger amount of B)
Second phase particle

-- different composition
-- often different structure.
Imperfections in Metals (ii)
Conditions for substitutional solid solution (S.S.)
 W. Hume – Rothery rule

– 1. Δr (atomic radius) < 15%
– 2. Proximity in periodic table

 i.e., similar electronegativities
– 3. Same crystal structure for pure metals
– 4. Valency
 All else being equal, a metal will have a greater tendency to dissolve a
metal of higher valency than one of lower valency
Imperfections in Metals (ii)
Example for substitutional solid solution (S.S.) is copper and nickel

– Atomic radii for copper and nickel are 0.128 and 0.125 nm
– Both have FCC crystal structure
– Their electronegativities are 1.9 and 1.8
– Common valences are + 1 or +2 for copper and +2 for nickel

Example
 Example Applications Si-Ge semiconductor
 Is solid-solution favorable, or not?
 • Si-Ge Alloys
 Rule 1: r Si = 0.117 nm and r Ge= 0.122 nm.
 DR%= = 4% favorable √
 Rule 2: Si and Ge have the diamond crystal structure. favorable √
 Rule 3: E Si = 1.90 and E Ge= 2.01. Thus, DE%= 5.8% favorable √
 Rule 4: Valency of Si and Ge are both 4. favorable √
 Expect Si and Ge to form S.S. over wide composition range.
 In fact, S.S. forms over entire composition at high temperature
Page 9
Point Defects in Ceramics (i)
• Vacancies
-- vacancies exist in ceramics for both cations and anions
• Interstitials
-- interstitials exist for cations
-- interstitials are not normally observed for anions because anions
are large relative to the interstitial sites
Cation
Interstitial
Cation
Vacancy
Fig. 6.2, Callister & Rethwisch 9e. (From

W.G. Moffatt, G.W. Pearsall, and J. Wulff, The
Structure and Properties of Materials, Vol. 1,
Structure, p.78. Copyright ©1964 by John Wiley &
Sons, New York. Reprinted by permission of John
Wiley and Sons, Inc.)
Anion
Vacancy
Point Defects in Ceramics (ii)
• Frenkel Defect
-- a cation vacancy-cation interstitial pair.
• Shottky Defect
-- a paired set of cation and anion vacancies.
Shottky
Defect:
Fig. 6.3, Callister & Rethwisch 9e. (From W.G.
Moffatt, G.W. Pearsall, and J. Wulff, The Structure and
Properties of Materials, Vol. 1, Structure, p.78. Copyright
©1964 by John Wiley & Sons, New York. Reprinted by
permission of John Wiley and Sons, Inc.)
Frenkel
Defect
Imperfections in Ceramics
• Electroneutrality (charge balance) must be maintained when impurities are present
• Ex: NaCl Na + Cl -
cation
• Substitutional cation impurity vacancy
Ca 2+
Na +
Na +
Ca 2+
without impurity Ca 2+ impurity with impurity
• Substitutional anion impurity an ion vacancy

O 2-
Cl - Cl -
without impurity O 2- impurity with impurity
Point Defects in Crystals
 (Fig. 2.13) A substitutional impurity occupies a normal lattice site. A vacancy is the
absence of an atom at a normally occupied lattice site, an interstitial is an atom occupying
a position between normal lattice sites. If it is same type -self interstitial, another type –
interstitial impurity ( same impurity atoms in materials with large atoms- carbon in iron.). If it
is similar size then is substitutional impurities.- chromium to iron.
[Mechanical Behavior of Materials] Norman E. Dowling Page 13

Defects in Crystals
 Line defects are called dislocations and : One type is an edge dislocations and the other is
a screw dislocation. (Fig.2.14). The edge dislocation can be thought of as the border of an
extra plane of atoms. The screw dislocation is assuming that a perfect crystal is cut as
shown . The crystal is then displaced parallel to the cut and finally reconnected.
 Grain boundary is a class of surface defect where lattice planes change orientation by a
large angle. Within a grain, there may also be low-angle boundaries. An array of edge
dislocation can form such a boundary ( Fig. 2.15).



Linear Defects (Dislocations)

– Are one-dimensional defects around which atoms are misaligned
 Edge dislocation:
– extra half-plane of atoms inserted in a crystal structure
– b perpendicular () to dislocation line
 Screw dislocation:
– spiral planar ramp resulting from shear deformation
– b parallel () to dislocation line
Burger’s vector, b: measure of lattice distortion

Edge Dislocation
Fig. 6.9, Callister & Rethwisch 9e. (Adapted from A. G. Guy,

Essentials of Materials Science, McGraw-Hill Book Company, New York, NY,
1976, p. 153.)
Screw Dislocation
Screw Dislocation
Adapted from Fig. 6.10, Callister & Rethwisch 9e.

[Figure (b) from W. T. Read, Jr.,Dislocations in Crystals,
McGraw-Hill Book Company, New York, NY, 1953.]
Edge, Screw, and Mixed Dislocations
Mixed
Edge
Screw Adapted from Fig. 6.11, Callister & Rethwisch 9e.

[Figure (b) from W. T. Read, Jr., Dislocations in Crystals,
McGraw-Hill Book Company, New York, NY, 1953.]
Line Defects
Dislocations:
• are line defects,
• slip between crystal planes result when dislocations move,
• produce permanent (plastic) deformation.
Schematic of Zinc (HCP):

• before deformation • after tensile elongation
slip steps
Dislocations are visible in electron micrographs
Fig. 6.12, Callister & Rethwisch 9e.

(Courtesy of M. R. Plichta, Michigan
Technological University.)
 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
[Photomicrograph courtesy of L. C. Smith and C.
Standards and Technology, Gaithersburg, MD.)]

Washington, DC (now the National Institute of
Brady, the National Bureau of Standards,
nuclei crystals growing grain structure
Adapted from Fig. 6.20 (b), Callister & Rethwisch 9e.
liquid
• Crystals grow until they meet each other

Various Stages in the Solidification of a
Polycrystalline Material
Various Stages in the Solidification of a
Polycrystalline Material
 (a) Small crystallite nuclei

 (b) Growth of the crystallites; the obstruction of some grains that are
adjacent to one another is also shown
 (c) Upon completion of solidification, grains having irregular shapes
have formed.
 (d) The grain structure as it would appear under the microscope; dark
lines are the grain boundaries.
There exists some atomic mismatch within the region where two grains
meet, this area , called grain boundary.
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
Adapted from Fig. 6.14,
Callister & Rethwisch 9e.
– high chemical reactivity
Cracking along the grain boundaries

Solidification of a Polycrystalline Material
 All crystalline materials contain some dislocations that were introduced

during solidification, during plastic deformation and thermal stress that
result from rapid cooling. Dislocations are involved in the plastic
deformation of crystalline materials, both metals and ceramics.
 Interfacial defects are boundaries that normally separate regions of
the materials that have different crystal structures. These
imperfections include external surfaces, grain boundaries, phase
boundaries, twin boundaries and stacking faults.
Surface Defects
 External surfaces -surface atoms are not bonded to the maximum number of nearest
neighbours and are therefore in a high energy state than the atoms at interior position.
 Grain boundaries- atoms are bonded less regularly along a grain boundary, and
consequently there is an interfacial or grain boundary energy similar to the surface energy.
 Phase boundaries- exist in multiphase materials, in which a different phase exists on each
side of the boundary.
 Twin boundaries- a special type of grain boundary across which there is a specific mirror
lattice symmetry. Twins result from atomic displacements that are produced from applied
mechanical shear forces and also during annealing heat treatment following deformation.
 Stacking faults- when stacking one of these layers on top of another, the atoms are not
directly on top of one another. Usually, only one- two- or three-layer interruptions in the
stacking sequence are referred to as stacking faults. Stacking faults carry a given formation
enthalpy per unit area; this is called stacking-fault energy.
 On surfaces of single crystals, steps between atomically flat terraces can also be regarded
as planar defects. It has been shown that such defects and their geometry have significant
influence on the adsorption of organic molecules.
Page 29
Surface Defects and Catalyst
 A catalyst is a substance that speeds up the rate of a chemical reaction. Reactant

molecules in a gas or liquid phase are adsorbed onto its catalystic surface, that promotes
an increase in their chemical reactivity rate.
 Adsorption sites on a catalyst are normally surface defects associated with planes of
atoms; an interatomic/intermolecular bond is formed between a defect site and a adsorbed
molecular species. Several types of surface defects are : ledges, kinks, terraces,
vacancies, and individual adatoms (i.e. atoms adsorbed on the surface).
 Catalytic converters on automobiles: the catalyst surface adsorbs molecules of CO, NOx ,
and O2. The NOx dissociates into N and O atoms whereas the O2 dissociates into its
atomic species. Pairs of nitrogen atoms combine to form N2 molecules, and carbon
monoxide is oxidized to from carbon dioxide. Any unburned hydrocarbons are also oxidized
to CO2 and H2O.
 One of the materials used as a catalyst is (Ce0.5 Zr0.5)O2, see figure. The surface defects
act as adsorption sites for the atomic and molecular species.
Page 30
Catalysts and Surface Defects
 A catalyst increases the

rate of a chemical
reaction without being
consumed
 Active sites on catalysts Fig. 6.16, Callister & Rethwisch 9e.
are normally surface

defects
Single crystals of
(Ce0.5Zr0.5)O2
used in an
automotive
catalytic converter
Fig. 6.17, Callister & Rethwisch 9e.

[From W. J. Stark, L. Mädler, M. Maciejewski, S. E. Pratsinis, and A. Baiker,
“Flame Synthesis of Nanocrystalline Ceria/Zirconia: Effect of Carrier Liquid,”
Chem. Comm., 588–589 (2003). Reproduced by permission of The Royal
Society of Chemistry.]
Vacancies & impurities. Dislocations. Grain and twin boundaries. Voids Inclusions
precipitates
Page 32
Summary of Defects in Solids
 Point Defects in Metals: are those associated with one or two atomic positions; these
include vacancies, subs and self-interstitials. The equilibrium number of vacancies depends
on temperature .
 Point Defects in Ceramics: interstitials and vacancies for each anion and cation type are
possible. Defects sometimes occur in pairs in order to maintain charge neutrality. Addition
of impurity atoms may result in the formation of substitutional or interstitial solid solutions.
For substitutional solid solution, an impurity atom will substitute for that host atom to which
it is most similar in an electrical sense.
 Impurities in solids: an alloy is metallic substance that is composed of two or more

elements. A solid solution may form when impurity atoms are added to a solid, in which
case the original crystal structure is retained and no new phases are formed. For
substitutional solid solutions, impurity atoms substitute for host atoms. Interstitial solid
solution form for relatively small impurity atoms that occupy interstitial sties among the host
atoms. For substitutional solid solution, the atomic diameters and electro-negativities for
both atom types are similar and both elements have the same crystal structure and the
impurity atoms have a valence that is the same as or less than the host materials.
Page 33
Summary of Defects in Solids
 Point Defects in Polymer: have been found to exist in crystalline regions of polymer. Other
defects include chair ends, dangling and loose chains and dislocations.
 Dislocation-linear Defects: are one-dimensional crystalline defects,-edge and screw. An

edge is the lattice distortion along the end of an extra half-plane of atoms. A screw is as a
helical planner ramp. The magnitude and directions of lattice distortion associated with a
dislocation are specified by its Burgers vector. The relative orientations of Burgers vector
and dislocation line are (1) perpendicular for edge , (2) parallel for screws, and (3) neither
perpendicular nor parallel for mixed.
 Interfacial defects: In the vicinity of grain boundary (which is several atomic distances
wide), there is some atomic mismatch between two adjacent grains that have different
crystallographic orientations. For a high-angle grain boundary, the angle of misalignment
between grain is relatively large; this angle is relatively small for small-angle grain
boundaries.
Page 34
Elastic deformation
 Elastic deformation is associated with stretching, but not breaking, the chemical bonds
between the atoms in a solid.
 Fig. 2.16, The repulsive force is smaller than the attractive force at relatively large
distance, but it increases more rapidly, becoming large at short distances. The total force is
thus attractive at large distance, repulsive at short distances, and zero at one particular
distances Xe , which is the equilibrium atomic spacing. This is also the point of minimum
potential energy.
𝑷 𝒙 𝒙𝒆
 (2.1)
𝑨 𝒙𝒆
𝒅𝝈 𝒙𝒆 𝒅𝑷
 (2.2)
𝒅𝝐 𝒙 𝒙𝒆 𝑨 𝒅𝒙 𝒙 𝒙𝒆
 E is the slope of the stress-strain relationship. Hence E is fixed by the total force curve at
X=Xe. Which is illustrated in Fig.2.16

Elastic deformation
 A material that has the same properties at all points is homogeneous and if the properties
are the same in all directions, the material is isotropic. This is approximately true for many
metals and ceramics.
 Let a bar of a homogeneous and isotropic material be subjected to an axial stress x, as in
Fig. 5.8. The strain in the direction of the stress is
∆
𝜀 = = (5.22)
where L is the deformed length, Li the initial length, and L the change, and the strain in
any direction perpendicular to the stress – that is, along any diameter of the bar:
∆
𝜀 =𝜀 = = (5.23)

Elastic deformation

Elastic deformation
 This transverse strain is negative for tensile x. y is positive for compressive x. The
material is said to be linear elastic if the stress is linearly related to these strains and if the
strains return immediately to zero after unloading. In this situation, two elastic constants
are needed to characterize the material. One is the elastic modulus, E = x / x, which is
the slope of the x versus x and the second constant is Poisson’s ratio
𝜈= =− (5.24)
 Substituting x from equation 5.24 into E = x / x gives
𝜀 =− 𝜎 (5.25)
 This linear relationship is also shown in Fig. 5.8. The same situation also occurs along any
other diameter, such as the z-direction.

Elastic deformation
 Values of the elastic modulus vary widely for different materials. Poisson’s ratio  is often
around 0.3 and does not vary outside the range of 0 to 0.5. Negative values of  imply
lateral expansion during axial tension, which is unlikely.  = 0.5 implies constant volume
and values larger than 0.5 imply a decrease in volume for tensile loading, which is also
unlikely.
 No material has perfectly linear or perfectly elastic behavior. Use of elastic constants such
as E and  are regarded as a useful approximation. Most engineering metals can be
modelled in this way at relatively low stresses. Beyond yield strength, behavior becomes
nonlinear and inelastic.
 If a metal is alloyed with relatively small percentage of other metals, the effect on the
elastic constants E and  is small. With high percentage of other metal, such as stainless
steel, which contain at least 12% chromium and also other alloying, the values may be
affected to a modest degree.

Elastic deformation- Hooke’s laws for
Three dimensions
 Fig. 5.9 complete description of normal stresses in three directions and shear stresses on
three plane.

Elastic Deformation
 The situation can be summarized by the following table
Resulting Strain
Each Direction
Stress x y z
𝜎 𝜈𝜎 𝜈𝜎
x − −
𝐸 𝐸 𝐸
𝜈𝜎 𝜎 𝜈𝜎
y − −
𝐸 𝐸 𝐸
𝜈𝜎 𝜈𝜎 𝜎
z − −
𝐸 𝐸 𝐸

Elastic Deformation
 Adding the columns in this table to obtain the total strain in each direction gives the
following equations
𝜀 = 𝜎 − 𝜈(𝜎 + 𝜎 ) (a)
𝜀 = 𝜎 − 𝜈(𝜎 + 𝜎 ) (b) (5.26)
𝜀 = 𝜎 − 𝜈(𝜎 + 𝜎 ) (c)

Elastic Deformation
 The shear strains on the orthogonal planes are each related to the corresponding shear
stress by a constant shear modulus, G.
𝛾 = , 𝛾 = , 𝛾 = (5.27)
 The shear strain on a given plane is unaffected by the shear stresses on other planes.
Equation 5.26 and 5.27 are called the generalized Hook’s law.

Elastic Deformation
 Only two independent elastic constants are needed for an isotropic material, so that one of
the E, G and  is considered redundant. The following equation allows any one of these to
be calculated from the other two:
𝐺= (5.28)
( )
 The state of shear stress, , can be represented by principal normal stresses on the planes
rotated 45 with respect to the planes of pure shear. Similarly, the shear strain is also on
45 planes.

State of pure shear stress and strain

Elastic Deformation
 The following substitutions can then be made in equation 5.26.
𝜎 = 𝜏, 𝜎 = −𝜏, 𝜎 = 0, 𝜀 = (5.29)
 This yield
( )
𝛾= 𝜏 (5.30)
 From the definition of G, the constant proportionality is G =  / , so that equation 5.28 is

confirmed.
 Measured values of the three constants E, G,  for the real materials will not generally
obey the equation 5.28 perfectly. Because the material is not perfectly isotropic.

Example 5.2
Page 48
Example 5.2
Page 49
Example 5.3
Page 50
Example 5.3
Page 51
Example 5.3
Page 52
Example 5.3
Page 53
Trends in Elastic Modulus Values
 Strong primary chemical bonds are resistant to stretching and so result in a high value of E.
The strong covalent bonds in diamond yield a value around E= 1000GPa, whereas the
weaker metallic bonds in metals give values generally within a factor of three of E= 100
GPa. In polymer, E is determined by the combination of covalent bonding along the carbon
chains and the much weaker secondary bonding between chains.
 If the temperature is increased, thermal activation provides increased free volume between
chain molecules, permitting motion of increased length of chain. A point causes the elastic
modulus to decrease, often dramatically ( Fig.2.17). The temperature is called the glass
transition temperature Tg .


Theoretical Strength
 Theoretical strength is to estimate the tensile stress necessary to break primary chemical
bonds, which is the stress correspond to the peak value of force in ( Fig.2.16), These
values are on the order of = E/10 for various materials. For diamond , ~ 100 GPa.

 Another failure is shear. An estimate of the theoretical shear strength is to consider two
planes of atoms being forced to move slowly past one another, ( Fig. 2.18). The shear
stress 𝝉 required first increases rapidly with displacement X, then decreases and passes
through zero as the atoms pass opposite one another at the unstable equilibrium position
x= b/2. The stress changes direction beyond this as the atoms try to snap into a second
stable configuration at X=b. A reasonable estimate is a sinusoidal variation
𝟐𝝅𝒙
 𝒃 (2.3)
𝒃
 Where 𝝉𝒃 is the maximum value as  varies with x: hence it is the theoretical shear
strength.


 The initial slope of the stress-strain relationship must be the shear

modulus, G. The shear strain for small values of displacement is  =
x/h we have
𝒅𝝉 𝒅𝝉

𝒅𝜸 𝒙 𝟎 𝒅𝒙 𝒙 𝟎
(2.4)
 Obtaining d/dx from Eq. 2.3 and substituting its value at x =0 give b:
𝑮𝒃
 𝒃 (2.5)
𝟐𝝅𝒉
 The ratio b/h varies with the crystal structure and is generally around
0.5 to 1, so this estimate is on the order of G/10.
Page 59
 In a tension test, the maximum shear stress occurs on a plane 45 to

the direction of uniaxial stress and is half as large. Thus, a theoretical
estimate of shear failure in a tension test is
𝑮𝒃
 𝒃 𝒃 (2.6)
𝝅𝒉
 Since G is in the range E/2 to E/3, this estimate gives a value similar to
the previously mentioned b = E/10 estimate based on the tensile
breaking of bonds.
 Theoretical tensile strength around b = E/10 are larger than the actual
strengths of solids by a large amount, typically by a factor of 10 to 100.
This discrepancy is thought to be due mainly to the imperfections
present in most crystals, which decrease the strength.
Page 60

Inelastic Deformation
 Events can occur which have the effect of rearranging the atoms so that they have new
neighbors after the deformation is complete. This causes an inelastic deformation that does
not disappear when the stress is removed. Inelastic deformation that occurs almost
instantaneously as the stress is applied is called plastic deformation. As distinguished from
creep deformation, which occurs only after passage of time under stress.

Schematic illustration Plastic Deformation due to
Dislocation
63
(at lower temperatures, i.e. T < Tmelt/3)
Plastic (Permanent) Deformation

Elastic+Plastic
engineering stress,σ at larger stress
Elastic
initially
permanent (plastic)
after load is removed
ep engineering strain, e
plastic strain Adapted from Fig. 8.10 (a),

Callister & Rethwisch 9e.
64
Plastic Deformation by Dislocation Motion
 Single crystals of pure metals which contain a few dislocation will yield in shear at very low
stresses. e.g. for iron and other BCC metals, this occurs around 0= G/3000, that is 0 =
30 MPa. Thus, shear strengths for imperfect crystals of pure metals can be lower than the
theoretical value for a perfect crystal of b = G/10 by a factor of 300 and sometimes as
much as 10,000.
 This large discrepancy can be explained by the fact that plastic deformation occurs by
motion of dislocations under the influence of a shear stress ( Fig. 2.19). As a dislocation
moves through the crystal, plastic deformation is, in effect, proceeding one atom at a time,
rather than occurring simultaneously over an entire plane, as implied by ( Fig.2.18). This
incremental process can occur much more easily than simultaneously breaking of all the
bonds, as assumed in the theoretical shear strength calculation for a perfect crystal.
 Dislocations are structural line defects that account for plastic deformation by slip in
crystals. This because the atomic distortion accompanying dislocation motion are
considerably less than those happening during “ perfect slip”, which atomic planes glide
over one another simultaneously of all atoms in the slip plane.


 The deformation resulting from dislocation motion proceed for edge and screw dislocation ,
as illustrated in Fig.2.20 and 2.21. respectively. The plane in which the dislocation line
move is called the slip plane, where the slip plane intersects a free surface, slip step is
formed. Since dislocation in real crystals are usually curved and have both edge and screw
character, plastic deformation actually occurs by a combination of the two types of
dislocation motion.
 Plastic deformation is often concentrated in bands called slip bands, where the slip planes
of dislocations are concentrated; they are regions of intense plastic shear deformation
separated by regions of little shear. Where slip bands interest a free surface, steps are
formed as a result of the combined slip steps of numerous dislocations. ( Fig.2.22).



 For a given crystal structure, such as BCC, FCC or HCP, slip is easier on certain planes
and within these planes in certain directions. For metals, the most common planes and
directions are shown in Fig 2.23. The preferred planes are those on which the atoms are
relatively close together, called close-packed planes, such as the basal plane for HCP
crystal. Similarly, the preferred slip directions within a given plane are the close-packed
directions in which the distances between atoms is smallest.
 This is the case because a dislocation can easily move if the distance to the next is
smaller. Also atoms in the adjacent planes project less into the spaces between atoms in
the closed-packed planes than in other planes, so there is less interference with slip
displacement.



Crystallographic Planes
Adapted from Fig. 3.7, Callister &

Rethwisch 9e.
73
Modulus of Elasticity Values at Different
Orientations
Discussion of Plastic Deformation
 Plastic deformation is that atoms change neighbors and return to a stable configuration
with new neighbors after the dislocation has passed. This is a fundamentally different
process than elastic deformation, which is merely the stretching of chemical bonds.
 Metals used load-resisting applications have strengths above the very low value observed
in crystals of pure metals with some defects, but not nearly as high as the theoretical value
for a perfect crystal ( Fig. 2.24) . There are obstacles that impede dislocation motion, the
strength may be increased. 1, Grain boundaries have this effect and, 2, a second phase of
hard particles dispersed in the metal, 3, alloying also increases strength, as different size
atoms make dislocation motion more difficult, 4, a large number of dislocation interfere with
one another, forming dense tangles and blocking free movement.
 In nonmetals and compounds where the chemical bonding is covalent or partially covalent,
the directional nature of the bonds makes dislocation motion difficult, e.g. the crystals of
carbon, boron, silicon and intermetallic compounds such as carbides, borides, nitrides and
oxides. These materials are hard and brittle and do not generally fail by yielding due to
dislocation motion. But by small cracks and pores that are present in the materials.


Creep Deformation
 Besides elastic and plastic deformation, materials can be deformed by mechanism that
result in time-dependent behavior, called creep. Under constant stress, the strains varies
with time ( Fig.2.25). There is an initial elastic deformation, e, the strain slowly increases
as long as the stress is maintained. If the stress is removed, the elastic strain is quickly
recovered, and a portion of the creep strain may be recovered slowly with time; the rest
remains as permanent deformation.
 The rate of deformation is a function of the material properties, exposure time, exposure
temperature and the applied structural load. Depending on the magnitude of the applied
stress and its duration, the deformation may become so large that a component can no
longer perform its function — for example creep of a turbine blade will cause the blade to
contact the casing, resulting in the failure of the blade. Creep is usually of concern to
engineers and metallurgists when evaluating components that operate under high stresses
or high temperatures. Creep is a deformation mechanism that may or may not constitute a
failure mode. For example, moderate creep in concrete is sometimes welcomed because it
relieves tensile stresses that might otherwise lead to cracking.

Creep Deformation
 In crystalline materials (metals and ceramics), one important mechanism of creep is

diffusional flow of vacancies. Formation of vacancies is favored near grain boundaries that
are normal to the applied stress. (Fig.2.26). Movement of a vacancy in one direction is
equivalent to an atom in the opposite direction. The overall effect is a change in the shape
of the grain, contributing to a macroscopic creep strain.
 Creep is strongly temperature dependent. For lattice diffusion of atoms to occur in a

material, neighboring lattice sites or interstitial sites in the crystal structure must be free. A
given atom must also overcome the energy barrier to move from its current site to the
nearby vacant site (another potential well). Both the attempted jump frequency and the
number of nearest neighbor sites and the probability of the sites being vacant are
dependent on temperature. At higher temperatures the diffusivity increases due to the
increase in vacancies through Schottky defect formation, and an increase in the average
energy of atoms in the material.

Creep Deformation
 Creep behavior in crystalline materials is strongly temperature dependent. As a general

guideline, the effects of creep deformation generally become noticeable at approximately
35% of the melting point for metals, and at 45% of melting point for ceramics. Virtually any
material will creep upon approaching its melting temperature. Creep is a major limitation on
the engineering application of any polymer above its Tg, which is generally in the range -
100 to 200 C for common polymer.
 Unlike brittle fracture, creep deformation does not occur suddenly upon the application of
stress. Instead, strain accumulates as a result of long-term stress. Therefore, creep is a
"time-dependent" deformation



Summary
 Atoms and molecules in solids are held together by primary bonds of three kinds: ionic,
covalent and metallic. Secondary bonds, especially hydrogen bonds, also influence the
behavior.
 Covalent bonds are strong and directional. This contributes to the high strength and
brittleness of ceramics and glasses, as these materials are bound by covalent or mix-ion-
covalent bonds. Metallic bonds in metals do not have such a directionality and therefore
deform more easily.
 Polymers are composed of carbon-chain molecules formed by covalent bonds. However,

they may deform easily by relative sliding between the chain molecules where this is
prevented only by secondary bonds.

Summary
 A variety of crystal structure exists in solid materials. Three of importance for metals are
the body-center cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed
(HCP) structures.
 The crystal structure of ceramics has more complexed structure due to the necessity in the
these compounds of accommodating more than one type of atom.
 Crystalline materials ( metals and ceramics) are composed of aggregations of small crystal
grains. Numerous defects, such as vacancies, interstitials, and dislocations are usually
present in these grains.

Summary
 Elastic deformation, caused by the stretching of chemical bonds, disappears if the stress is
removed. The elastic modulus E is therefore higher if the bonding is stronger and is highest
in covalent solids such as diamond. Metals have a value of E about 10 times lower than
that for highly covalent solids, and polymer have a value of E that is generally lower by an
additional factor 10 or more, due to the influence of the chain-molecule structure and
secondary bonds. Above the glass-transition temperature for a given polymer, E is further
lowered by a large amount.
 Estimate of the theoretical tensile strength to break chemical bonds in perfect crystals give
values on the order of E/10. However, strengths approaching such a high value are only
realized in tiny, perfect single crystal and in fine wires with an aligned structure. Strengths
in large samples of material are much lower, as there are weakened by defects. In
ceramics, the defects are small cracks and pores that contribute to brittle behavior.

Summary
 In metals, the defects that lower the strength are primarily dislocations. These move under
the influence of applied stresses and cause yielding behaviour. In large single crystals
containing a few dislocations, yielding occurs at very low stresses that are lower than the
theoretical value by a factor or 300 or more.
 Strength are increased above this value if there are obstacles to dislocation motion, such
as grain boundaries, hard second-phase particles, alloying elements and dislocation
entanglements. The resulting strength for engineering metals in bulk form may be as high
as one tenth of the theoretical value of E/10, that is around E/100.
 Materials are also subject to time-dependent deformation called creep. Such deformation is
likely at temperature approaching melting. Physical mechanisms vary with material and
temperature. Examples include diffusion of vacancies in metals and ceramics and sliding of
chain molecules in polymers.

2 Structure and Deformation in Materials Lecture 2

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2 Structure and Deformation in Materials Lecture 2

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Structure and Deformation in Materials

There is no such thing as a perfect crystal.

 What are these imperfections?

 Why are they important?

 But, to understand structure-sensitive properties, it is necessary to

 consider numerous lattice defects.

 Practically all mechanical properties are structure-sensitive properties

• Dislocations Line defects

• Grain Boundaries Area defects

Two outcomes if impurity (B) added to host (A):

Substitutional solid soln. Interstitial solid soln.

Second phase particle

Conditions for substitutional solid solution (S.S.)

 W. Hume – Rothery rule

– 2. Proximity in periodic table

– 3. Same crystal structure for pure metals

Example for substitutional solid solution (S.S.) is copper and nickel

– Both have FCC crystal structure

– Their electronegativities are 1.9 and 1.8

– Common valences are + 1 or +2 for copper and +2 for nickel

 Example Applications Si-Ge semiconductor

 Is solid-solution favorable, or not?

 Rule 1: r Si = 0.117 nm and r Ge= 0.122 nm.

 Rule 2: Si and Ge have the diamond crystal structure. favorable √

 Rule 3: E Si = 1.90 and E Ge= 2.01. Thus, DE%= 5.8% favorable √

 Rule 4: Valency of Si and Ge are both 4. favorable √

 Expect Si and Ge to form S.S. over wide composition range.

 In fact, S.S. forms over entire composition at high temperature

Fig. 6.2, Callister & Rethwisch 9e. (From

• Electroneutrality (charge balance) must be maintained when impurities are present

• Substitutional anion impurity an ion vacancy

[Mechanical Behavior of Materials] Norman E. Dowling Page 13

[Mechanical Behavior of Materials] Norman E. Dowling Page 14

[Mechanical Behavior of Materials] Norman E. Dowling Page 15

[Mechanical Behavior of Materials] Norman E. Dowling Page 16

Linear Defects (Dislocations)

Burger’s vector, b: measure of lattice distortion

Fig. 6.9, Callister & Rethwisch 9e. (Adapted from A. G. Guy,

Adapted from Fig. 6.10, Callister & Rethwisch 9e.

Screw Adapted from Fig. 6.11, Callister & Rethwisch 9e.

Schematic of Zinc (HCP):

Dislocations are visible in electron micrographs

Fig. 6.12, Callister & Rethwisch 9e.

 Solidification- result of casting of molten

 Start with a molten material – all liquid

[Photomicrograph courtesy of L. C. Smith and C.

Standards and Technology, Gaithersburg, MD.)]

• Crystals grow until they meet each other

 (a) Small crystallite nuclei

 transition from lattice of one

 low density in grain

[Mechanical Behavior of Materials] Norman E. Dowling Page 27

 All crystalline materials contain some dislocations that were introduced

 A catalyst is a substance that speeds up the rate of a chemical reaction. Reactant

 A catalyst increases the

 Active sites on catalysts Fig. 6.16, Callister & Rethwisch 9e.

are normally surface

Fig. 6.17, Callister & Rethwisch 9e.

 Impurities in solids: an alloy is metallic substance that is composed of two or more

 Dislocation-linear Defects: are one-dimensional crystalline defects,-edge and screw. An

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[Mechanical Behavior of Materials] Norman E. Dowling Page 38