Material Science and Metallurgy

Unit I
Structure of Materials
 Unit I – Structures of Materials
• Crystal structures, indexing of lattice planes,
Indexing of lattice directions, Imperfections in
crystals-point defects, line defects, surface and
bulk defects, Mechanism of plastic
deformation, deformation of single crystal by
slip, plastic deformation of polycrystalline
materials
 Materials
• Material is a type of physical thing, such as wood, stone, or plastic,
having qualities that allow it to be used to make other things
• Material is a broad term for a chemical substance or mixture of
substances that constitute a thing.
• Materials are Drivers of our society and Have influenced over
virtually every segment of our daily life
– Transportation
– Housing
– Clothing
– Communication
– Recreation etc
• Early civilizations recognized by materials developments
– stone age (15000-2000 BC),
– bronze age, beginning of metal working, copper mixed with tin to create bronze , used for
tools, weapons, armor, decoration, etc.(3500-500 BC),
– iron age: Started around 3000 years ago and is continuing
 Engineering Materials
• Every segment of our daily lives is influenced by materials e.g.
transportation, housing, clothing, communication, recreation, etc
• Present-day civilization heavily depends on metals. 
• Steels, aluminum, titanium, copper, and nickel alloys are used for
automobiles, ships, aircraft, spacecraft, bridges, and buildings as well
as the machines required to produce them.
• Almost all uses of electricity depend on copper & aluminum.
• All around us we see the utilization of aluminum, copper, and steels,
often in new applications combining metals with plastics and fiber-
reinforced composite materials.
• Some metals such as titanium and zirconium – impossible to smelt or
extract from ores just a few years ago – are now used in large
quantities and referred to as space-age metals.
• There are hundreds of combinations of metals and nonmetals called
composites, along with many new tool steels.
Dancing girl statue, National museum Delhi,
from Mohenjo-daro site, Sindh
Material:Bronze
Engineering Materials
Evolution of Engineering Materials
 Metals
• Physical properties
– Good conductor of heat and electricity
– Malleable (can be beaten into thin sheets)
– Ductile (can be stretched into wires)
– Possess metallic luster
– Solid at room temperatures (except Hg)
• Chemical properties
– Usually have 1-3 electronics in their outermost shell
– Lose their valence electrons easily
– Form oxides that are basic
– Are good reducing agents (loses electrons)
– Have lower electronegativity (tendency to attract electrons)
 Non Metals
• Physical properties
– Poor conductor of heat and electricity
– Brittle – if a solid
– Non-Ductile (can not be stretched into wires)
– Do not possess metallic luster
– Transparent as a thin sheet
– Solid, liquid or gases at room temperatures
• Chemical properties
– Usually have 4-8 electronics in their outermost shell
– Gain or share their valence electrons easily
– Form oxides that are acidic
– Are good oxidizing agents
– Have higher electronegativity
 Ceramics
• These are inorganic materials made from
compounds of metals and non-metals
• Formed by the action of heat and subsequent
cooling
• Brittle in nature and good insulator of heat
and electricity
• Excellent compressive strength
 Polymers
• It is a large molecule composed of many
repeated subunits
– Natural – Shellac (bio-adhesive), amber, wool, silk
and natural rubber, etc.
– Synthetic- synthetic rubber, Bakelite, neoprene,
nylon, polystyrene, polyethylene, polyvinyl
chloride
 Composites
• Two or more constituent materials with
significantly different properties which after
combination produce a material with
characteristics different from the individual
components
• The individual components remain separate
and distinct within the finished structure
 Advanced Materials
• Smart Materials: posses ability to change physical properties in a specific manner
in response to specific stimulus input
– Piezoelectric: Generate an electric charge in response to applied mechanical stress and vice
versa
– Magnetostrictive: change in dimension of ferromagnetic material in magnetic field and vice
versa
– Phase-transition dependent: remembers its original shape and after being deformed
returns to its original shape when heated
– Electro/magneto Rheological material: change in viscosity in response to electric/magnetic
field
• Bio-materials: Substances introduced into a body with the aim of
improving/replacing a diseased, damaged or lost tissue/organ
– Metals: used for orthopedics, dentistry, stent, etc.
– Polymers: used in orthopedics, artificial tendons, facial & soft tissue reconstruction, wound
dressing, retinal implant, contact lens, etc.
– Ceramics: used in bone grafting, promote bone ingrowth, lining on blood contacting
prosthesis
– Aerogels: these are around 90% porous, air entrapped acts as heat insulator
• Superconductors: conduct electricity without resistance below a characteristic
critical temperature
 Advanced Materials
• Nanomaterials: material with any external dimension in the nanoscale
(size range from approximately 1 – 100 nm) or having internal
structure or surface structure in the nanoscale. Applications in wide
fields like sensors, catalysis, medicines, electrochemicals, optics,
magnetics, thin films, structural, semiconductors, cosmetics, textile,
information tecnology, etc.
• Artificial namomaterials are carbon based nanomaterials, metal
based, dendrimers (nanosized polymers), and nano composites
• Carbon Nanotubes:
– carbon atoms linked in hexagonal shapes, have diameters as small as 1nm,
– strongest and stiffest materials (100 times strong than steel but only one-
sixth as heavy,
– 10 times more thermal conductivity and 100 times more electrical
conductivity as compared to copper,
– Combining with other materials into composites and can be used to reinforce
and build lightweight structures
 Structures of Materials
• Structure is the key to the properties of material
• Types of structures
– Crystal structure (Study by X-ray & electron microscopy)
– Macroscopic structure (Study by unaided eyes or low
magnifications
– Microscopic structure (study by optical or electron
microscope), etc.
• Structure affects properties, hence its study is important
• Metallography is the study of the structural
characteristics or constitution of a metal or an alloy in
relation to its physical and mechanical properties
 Atomic structure
• An atom is the smallest constituent unit of matter that has the
properties of a chemical element. Every solid, liquid, gas, and
plasma is composed of neutral or ionized atoms.
• Difference in the atomic structure of chemical element gives it
its characteristic properties
• Free atom is composed of electrons (-ve), protons (+ve), and
electrically neutral neutrons. Almost entire mass of the atom is
concentrated in the nucleus containing protons and neutrons
• Niels Bohr theory – nucleus of an atom contains all the
neutrons and protons. Hence the mass or weight of an atom is
centered in its nucleus. The electrons revolve in circular and
elliptical orbits around the nucleus. Max. 2n2 number of
electrons can fit in each shell. Each shell is divided into energy
states or levels. Maximum two electrons can fit on any one
energy level.
 Atom binding
• Four possible bonds holding the atoms or molecules of a
solid together are
– Ionic bond is the complete transfer of valence electron(s)
between atoms. It generates two oppositely charged ions, the
metal loses electrons to become a positively charged cation,
whereas the nonmetal accepts those electrons to become a
negatively charged anion.
– Covalent bond is a chemical bond that involves the sharing of
electron pairs between atoms.
– Metallic bond is a type of chemical bonding that arises from
the electrostatic attractive force between conduction electrons
(in the form of an electron cloud of delocalized electrons) and
positively charged metal ions.
– Van der Walls forces are distance-dependent interactions
between atoms or molecules.
Ionic bond: Electron transfer in NaCl
 Crystal Structures
• It deals with the atomic arrangement in solids
• They are regular three dimensional patterns of atoms in
space
• The most stable arrangement of atoms in a crystal
minimises the energy per unit volume, i.e.
– Preserves electrical neutrality
– Satisfies the directionality and discreteness of all covalent
bonds
– Minimises strong ion-ion repulsion
– Packs the atoms as closely as possible, consistent with all above
 Crystal Structures
• Crystal structures are described in space lattice or point lattice, i.e.
three dimensional pattern of points in space
• Lattice – array of points in space, in which every point has identical
environment with respect to all other points
• Basis – Single atom or group of atoms identical in composition and
orientation in space
• Identical surrounding means the appearance of a lattice point when
viewed in a particular direction will be the same to the appearance
of any other lattice point when viewed in the same direction
• Lattice points can be arranged in only 14 different arrangements
(arrays) called Bravais lattices.
• For every atom or group of atoms at a lattice point, there must be
an identical atom or group of atoms with the same orientation at
every other lattice point
Crystal lattice
 Unit cell
• The atomic arrangements can be described completely by
specifying atom positions in some repetitive unit of space
lattice called as Unit cell
• The size and shape of the unit cell can be described by
three vectors a, b and c drawn from one corner of the cell
taken as origin and are called as crystallographic axes of the
cell
• crystallographic axes can be described in terms of their
lengths (a, b, c) and the angles between them (α, β, γ)
• These lengths and angles are the lattice constants or lattice
parameters of the unit cell
• Primitive cells have lattice points only at corners of the cell
and have only one lattice point per cell
 Crystal systems and Bravais Lattices
• Primitive cells have lattice points only at corners of the cell and have
only one lattice point per cell
• Translational repetition of primitive unit cells results in seven crystal
systems (Cubic, Tetragonal, Orthorhombic, Rhombohedral or
trigonal, Hexagonal, Monoclinic and Triclinic)
• Other arrangements also satisfy condition of identical surrounding.
• Bravais demonstrated that in all such lattices are 14 and are called
as Bravais lattices
• The actual crystal structures can be obtained by placing atoms at
Bravais lattice points or at some other points which have fixed
relation to the Bravais lattice points
• Metals may not exist with all the structures
• The most common structures observed in metals are body centred
cubic (BCC), face centred cubic (FCC) and hexagonal close packed
structures
Crystal systems
Cubic crystal system
a=b=c, α=β=γ=900
Tetragonal crystal system
a=b≠c, α=β=γ=900
Orthorhombic crystal system
a ≠ b≠c, α=β=γ=900
Rhombohedral crystal system
a=b=c, α=β=γ≠ 900
Hexagonal crystal system
a=b≠c, α=β=900γ=1200
Monoclinic crystal system
a ≠ b≠c, α=γ=900 β≠900
Triclinic Crystal System
a ≠ b≠c
 Indexing of Lattice Planes
• The orientation of a plane in a lattice is indicated by the index of
the plane
• Miller indices form a notation system in crystallography
for planes in crystal (Bravais) lattices Miller Indices is a group of
smallest integers which represent a direction or a plane
• Miller indices are the reciprocals of the fractional intercepts
made by the plane with crystallographic axes
• Reciprocals of fractional intercepts are converted to minimum
of whole numbers by common multiplication with a certain
number
• Numbers of planes are enclosed in brackets e.g. (111) and read
as one one one.
• Negative indices are written with a bar over the number
 Significance of Crystallographic directions
and planes
• Deformation under loading (eg. slip) occurs on certain
crystalline planes and in certain crystallographic
directions.
• Helps to predict modes of material failure.
• Other properties of materials (electrical conductivity,
thermal conductivity, elastic modulus, magnetic
property. piezoelectric property etc.) can vary in a
crystal with orientation.
Determine the indices for the given plane
Determine the indices for the given plane
Determine the indices for the given plane
Miller indices - Examples
Miller indices – selecting the origin
Miller indices – Drawing the plane
Milleer indices – families of planes
Miller Indices – Direction
Miller indices - Directions
Miller indices – Directions
Families of directions
Families of directions
Miller indices - Properties
Average number atoms per unit cell
 Co-ordination Number (Ligancy)
• The number of nearest equidistant neighboring atoms surrounding an
atom under consideration is called coordination number
• The density of packing is expressed in terms of co-ordination number
• Less the coordination number less is the packing factor
• In simple cubic structure each corner atom is surrounded by six other
atoms, hence, coordination number is 6, similarly for BCC it is 8 and
for HCP and FCC it is 12
• In ionic solids bonds are non directional and hence promotes more
close packing of the structure, here the coordination number is the
number of anions surrounding a central cation
• The coordination number ( ligancy) is a function of ion sizes and can
be found out from space filling geometry when other conditions for
stable configuration are satisfied
• Ligancies 5,7,9,10 and 11 do not satisfy the condition for a stable
configuration for any value of the radius ration
 Coordination number
Ligancy Range of radius of cation / Configuration
radius of anion (rc / ra)
2 0.0 – 0.155 Linear
3 0.155 – 0.225 Triangular
4 0.225 – 0.414 Tetrahedrral
6 0.414 – 0.732 Octahedral
8 0.732 – 1.0 Cubic
12 1.0 FCC or FCP
 Atomic packing factor
• The fractional amount of volume or space
occupied by atoms in an unit cell is called
atomic packing factor or atomic packing density
or efficiency
• Planer density is the ratio of number of
effective atoms per unit area to area of plane
• Linear density is the ratio of number of effective
atoms on a line to the length of the direction
vector
Planar density
Linear density
Imperfections in crystals
 Point defects
• Vacancy – an atom is missing from its regular site
• Interstitial – matrix atom occupying its own interstitial site is self
interstitial
• Substitutional – foreign atom occupies the position of matrix atom
• Frenkel defect – an atom may leave its regular site and may
occupy nearby inerstitial site of the matrix giving rise to two
defects together called Frenkel defect. This occurs in ionic solids
• Schottky defect – when cation vacancy is associated with anion
vacancy. More common in ionic solids as the lattice has to
maintain electrical neutrality
• Effects of defects
– Increase hardness and tensile strength
– Increase electrical resistance
– Vacancies increase the kinetics of diffusion & phase transformation
Schottky Defects.mp4
 Line defects
• Edge dislocation – Occurs due to the insertion of an
extra half plane of atoms
• Screw dislocation – can be imagined as being
produced by cutting partway through with a knife
and then shearing one part of the crystal with
respect to other parallel to the cut
• These dislocations can be described by Burger’s
vector (b). Burger vector represents the magnitude
and direction of the lattice distortion resulting from a
dislocation in a crystal lattice
Burger,s Vector in edge and screw dislocation
 Planer defects
• Grain boundaries
– separate grains of different orientation from each
other in a polycrystaline material.
– observed in solidification of polycrystaline material
and grain boundary area (i.e. actual length)
– depends on the grain size of the material and
increases with decrease in grain size and vice versa.
Grain boundaries in polycrystaline material
 Planer defects

• Twin boundaries
– Boundaries in the grains at which the atomic
arrangement on one side of the boundary is the
mirror image of the atoms on the other side
– The volume of material which has an orientation
similar to the mirror image of the matrix orientation
is called a twin
– Mirror is called twining plane or composition plane.
– These may form during solidification, deformation or
during deformation and annealing of metals
Twin boundaries
 Planer defects
• Stacking faults
– Formed by fault in the stacking sequence of atomic
planes in crystals
– Considering stacking arrangement in FCC
– ABCABCABCABCABC instead ABCABC BCABCABC
– Thin region is a surface imperfection called stacking
fault
Stacking fault
 Planer defects
• Low angle boundary
– Formed when the orientation of grains differ by only
a few degrees
– Low angle boundary is formed between the two
grains
– Low angle tilt boundary consists of edge dislocations
lying one above the other in the boundary
– These defects affect the deformation behaviour,
mechanical properties, recrystalisation temperature
of material, and also influence electrical properties
and corrosion resistance
Low angle boundary
Imperfections in crystals
Summary
 Deformation
• Deformation – Change in shape caused when sufficient
load is applied to a metal or other structural material
• Elastic deformation - Temporary deformation of a
material's shape that is self-reversing after removing
the force or load.
• Plastic deformation - The permanent distortion that
occurs when a material is subjected to tensile,
compressive, bending, or torsion stresses that exceed
its yield strength and cause it to elongate, compress,
buckle, bend, or twist.
 Plastic deformation
• Plastic deformation - The permanent distortion that
occurs when a material is subjected to tensile,
compressive, bending, or torsion stresses that
exceed its yield strength and cause it to elongate,
compress, buckle, bend, or twist.
• Metal does not return to its original shape after
removal of stress
• This property is utilized for shaping of metals by
various fabrication processes such as rolling,
forging, drawing, extrusion etc.
• Plastic deformation may take place by slip, twinning
or simultaneously by both
 Mechanism of plastic deformation - Slip
• Slip represents a permanent displacement of one part of crystal
relative to the other by movement or sliding of one plane of atoms
over the other
• Slip always occurs on certain crystallographic planes and in definite
directions. Discrete blocks of crystal above and below the slip
plane or between two slip planes remain undistorted
• The planes on which the sliding occurs are called slip planes. Slip
planes are usually the most close packed (maximum atom planar
density) allowing easiest slippage as they have Minimize atomic
distortion (energy) associated with dislocation motion
• Directions in which slip occurs are called slip directions. Atoms are
most close to each other (highest linear atomic density) in the slip
direction
• Slip system = slip plane + slip direction
 Slip
• Slip results from the motion of dislocations from one plane to the
other place
• Two basic dislocation movements are glide and climb
• In glide the dislocation moves in a surface defined by its line and
Burger’s vector hence glide is conservative motion of dislocation
• In climb the dislocation moves out of the glide surface and hence is a
non conservative motion of dislocation
• The energy required to move a dislocation is proportional to Gb2,
where G is shear modulus of the material through which the
dislocation moves and b is its Burger’s vector i.e. dislocation having
short Burger’s vector requires less energy for their motion and moves
rapidly
• Burger’s vector is shortest along the close packed direction and hence
the stress required to move a dislocation is least in this direction
Deformation of single crystal by slip
 Dislocation Motion
• Metals: Disl. motion easier.
+ + + + + + + +
-non-directional bonding + + + + + + + +
-close-packed directions + + + + + + + +
for slip. electron cloud ion cores

• Covalent Ceramics
(Si, diamond): Motion hard.
-directional (angular) bonding

• Ionic Ceramics (NaCl):

+ - + - + - +
Motion hard.
- + - + - + -
-need to avoid ++ and - -
neighbors. + - + - + - +
 Dislocation Motion
• Dislocation moves along slip plane in slip direction perpendicular to
dislocation line
• Slip direction same direction as Burgers vector

Edge dislocation

Adapted from Fig. 7.2, Callister

7e.

Screw dislocation
 Independent Slip Systems
– The number of independent slip systems is the total possible number of
combinations of slip planes and directions
Example: FCC
– Slip occurs on {111} planes (close-packed) in <110> directions (close-packed)

– 4 Unique {111} planes

 Slip systems
• Some slip systems in BCC are only activated at high
temperatures. At low temperature, slip in BCC occurs on the
planes of the type {110}
• BCC and FCC have many possible slip systems – ductile
materials
• In BCC slip simultaneously occurs on many planes of the typs
{110}, {211}, and {321} in the directions <-111> and does not
restrict to any one family of planes. Hence slip lines in BCC
crystal are not straight and are highly wavy
• In HCP and FCC slip lines observed are straight
• HCP: Less possible slip systems – brittle material
 Twinning
• Twinning is a process in which the atoms in a part of the crystal subjected to stress
rearrange themselves so that the orientation of the part changes in such a way that
the distorted part becomes a mirror image of the other part
• The plane across which the two parts are mirror images is called twinning plane or
composition plane
• Every plane of atoms shifts in the same direction by an amount proportional to its
distance from the twinning plane
• Therefore twinning can be defined as a homogeneous shear of the lattice parallel to
the composition plane
• The direct contribution to plastic deformation by twinning is negligible, still it
creates favorable conditions for slip & the total deformation increases due to its
indirect contribution
• Like slip twinning also occurs along certain crystallographic planes and directions
called as twin planes and twin directions
• Of the common crystal stuructures BCC, FCC & HCP; HCP is more likely to twin . FCC
& BCC will not usually twin because slip is more favorable
• Twin occurs at low temperatures and high rates of shear loading (shock loading)
conditions where there are few slip systems present
 slip
Slip versus Twin
Slipped portion of a grain has same
orientation as the original grain
Consists of a shear displacement of an
entire block of the crystal
Direction may be positive or negative
Stress required to start slip is lower
Stress required to propagate is usually
higher than that necessary to start
Atoms move a whole number of atomic
spacings
Microscopic appearance slip is thin lines
In slip there is very little change in lattice
orientation and the steps are visible only
on the surface of the crystal. If steps are
removed by polishing, there will be no
evidence of slip
Slip is relatively slow, takes milliseconds
and comparatively large
Twin
Twinned portion of a grain is the mirror image
of the original lattice
Uniform shear strain
Direction is limited to that which produces the
twin image
Stress required to produce is higher
Stress required to propagate is appreciably less
that that required to initiate it
Atomic displacement is fractional depending
on the distance from the twinning plane
Microscopic appearance- broad lines/ bands
In twinning lattice orientations are different in
twinned regions. Removal of the steps by
surface polishing will not destroy the evidence
of twinning. Proper etching will reveal the
twinned region
Twin is relatively fast, takes microseconds and
comparatively small
 Plastic deformation of polycrystalline
materials
• Commercial material is always made up of polycrystalline grains
• Crystal axes are oriented at random
• In polycrystalline material slip starts first in those grains in which
the slip system is most favorably situated w.r.t. the applied stress.
• To maintain contact at grain boundaries, more than one slip
system operates.
• The rotation into the axis of tension brings other grains originally,
into a position where they now can deform
• As deformation and elongation proceed, the individual grains tend
to elongate in the direction of flow
• After certain amount of deformation , most grains will have a
particular crystal plane in the direction of deformation and
material shows preferred orientation, that results is different
properties, depending upon the direction of measurement
Plastic deformation of polycrystalline materials
• Fine grained material will have uniform properties, but material
with preferred orientation will have directional properties.
• Crystal deformation distorts lattice structure, which resists further
deformation & material undergoes strain hardening or work
hardening. Severely deformed grains may be fragmented or broken
• Distortion of the lattice structure, the pile-up of dislocations
against obstacles and the locking of dislocations on intersecting
slip planes increase the resistance to further deformability
• When dislocations move, ends remain tied to other parts of
network
• The ease with which dislocation moves across the slip plane is
indication of the ductility of the material; it suggests that material
can be made harder by putting obstacles.
• Distortion of lattice structure, as a result of plastic deformation,
heat treatment or alloying will increase strength & hardness of the
material
 Fracture
• It is separation of body under stress into two or more parts
• The failure is either characterized as either brittle or ductile
• Brittle fracture generally involves rapid propagation of a crack with
minimal energy absorption and plastic deformation
• In single crystals, brittle fracture occurs by cleavage along a
particular crystallographic plane
• In polycrystalline materials the brittle-fracture surface shows a
granular appearance as the cleavage planes changes from grain to
grain
• The failure of most polycrystalline ductile materials occurs with
cup-and-cone fracture associated with the formation of neck in
tensile specimen