B. Engg.

Mechanical Engineering Level 2

MECH 2104 Material Science Lecture Notes 1999/2000
Hurreeram D K
1.0 Atomic Structure and Inter Atomic Bonding
1.1 Course Perspective
1.2 Atomic and Crystalline Structure of Metals
1.3 Atomic Structure
1.4 Electrons in an atom
1.5 Atomic Bonding in Solids
2.0 Crystalline Structure of Solids
2.1 Introduction
2.2 Crystal Structure
2.3 Imperfection in Solids
3.0 Physical and Mechanical Properties of Metals
3.1 Testing Techniques DT and NDT (Tension, Compression, Torsion,
Surface)
3.2 Physical Properties
3.3 Mechanical Properties
3.4 Other Properties
4.0 Deformation of crystalline Materials
4.1 Dislocations and Plastic Deformation
4.2 Slip Systems
5.0 Strengthening Mechanism in Metals
5.1 Equilibrium Phase Diagrams
5.2 Iron-Carbon System
6.0 Thermal Processing of Metals and Alloys
6.1 Cold and Hot Working
7.0 Failure Mechanism of Materials in Service
7.1 Brittle and Ductile Failure
7.2 Creep and Fatigue
7.3 Corrosion

Prepared by: Dr.D.K.Hurreeram

August 04
1.0 Course Perspective

Materials involved in all aspects of human life

Transportation, Housing, Clothing, Communication, Food Production, Recreation
Civilization designated by level of materials development
Stone, wood, clay, skins, pottery, metals
New developments in materials production and use
ability to alter properties according to requirement
selection of materials out of specifications
aim to provide comfort to man
Material Science - investigate relationship between structures and properties of materials
Structure relate to arrangement of its internal components
Microscopic (using microscope) and macroscopic (viewed with naked eye)
structures
Property relate to the response of materials exposed to external stimuli
Force, heat, environment
Basically six properties
mechanical, thermal, electrical, magnetic, optical, deteriorative
Why study material science?
design problems, material selection problems, economic or cost problems
Classification of materials
Metals, Ceramics, Polymers, Composites, Semiconductors
Modern Materials needs
Energy consumption
Nuclear Power Usage
Environment quality (pollution control)
Renewable resources

1.1 Atomic and Crystalline Structure of Metals

1.2 Atomic Structure

Properties of solid materials - Function of geometrical atomic arrangement and interaction

between constituent atoms or molecules

The Atom - Nucleus (Neutrons, Protons), Electrons,

Cloud of electrons

Neutrons and
protons (in
nucleus)

Electron, Proton are electrically charged ( magnitude of 1.6E-19 C)

Neutron - electrically neutral
Neutron and Protons have approximately the same mass (1.67E-27 kg)

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 Electron Mass (9.11E-31 kg, negligible compared to the above)
Atomic Number (Z) - Number of Protons in the nucleus (same for all atoms of a given
element), 1 for Hydrogen to 94 for Plutonium (Periodic Table)
Atomic Mass (A)- Sum of Masses of Protons and Neutrons within nucleus. The number
of neutrons(N) may be variable (isotopes)
Atomic Weight - weighted average of the atomic masses of the atoms naturally occurring
isotopes
Atomic Mass Unit - used for computations of atomic weight. 1 AMU = 1/12 of the atomic
mass of the most common isotope of Carbon, Carbon 12, 12C (A=12)
A=Z+N
Atomic Weight of an element or molecular weight of a compound can be specified on the
basis of AMUs per atom or mass per mole of material. In one mole of a substance there
are 6.023E23 atoms or molecules (Avogadros Number)

1 AMU/atom (or molecule) = 1 g/mol

1.3 Electrons in an atom

Quantum Mechanics (Bohr atomic model - Fig 1 above)
electrons assumed to revolve around nucleus in discrete orbital (position well
defined in terms of its orbital)
energy of electrons are quantised (change of energy levels or states)
Calculations concerning Bohrs model
momentum equation
energy emission or absorption
force of attraction between electrons and nucleus
radii of orbits
velocity of electrons
orbital frequency
electron energy
energy levels
Wave mechanical Model (position defined by the probability of electrons being at various
locations around the nucleus - electron cloud instead of orbit, Fig 1b above)
Quantum Numbers - each electron characterised by four parameters; the size,
shape and spacial orientation of an electrons probability density are specified by
three of these quantum numbers.
Bohrs energy levels separate into electron shells designated by Principal
quantum number (n=1,2,3,4,5or K,L,M,N,O.)
Second quantum number signifies subshells (l=s,p,d,f)
Third quantum number define energy states in each subshells
Fourth quantum number define associated spin moment of electron +1/2 or
-1/2 orientation (up or down)

Prepared by: Dr.D.K.Hurreeram

August 04
Table 1 No. of Available Electron States in some of the Electron shells and sub-shells

Principal Shell Sub-shells Number of Number of Electrons

Quantum No. Designation States
Per Subshell Per Shell
1 K s 1 2 2
2 L s 1 2 8
p 3 6
3 M s 1 2 18
p 3 6
d 5 10
4 N s 1 2 32
p 3 6
d 5 10
f 7 14

Electron Configuration
Ground State and Exited state (Fig 2)

Fig 2 Relative Energies of electrons for the various shells and sub-shells

f d

d
Energy
p
s
p
s

1 2 3 4 5 6 7

Table 2 Electron Configuration of some elements

Element Symbol Atomic Number Electron Configuration

Hydrogen H 1 1s1
Helium He 2 1s2
Carbon C 6 1s2 2s2 2p2
Fluorine F 9 1s2 2s2 2p5
Neon Ne 10 1s2 2s2 2p6
Aluminium Al 13 1s2 2s2 2p6 3s2 3p1
Iron Fe 26 1s2 2s22p6 3s2 3p6 3d6 4s2
Copper Cu 29 1s2 2s22p6 3s2 3p6 3d10 4s1

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August 04
 Valence Electrons - electrons occupying outermost shells; most important
as they participate in bonding between atoms and molecules. Many
physical and chemical properties are based on the valence electrons
Stable electron configuration (rare gases, Ne, Ar, Kr, He)
The periodic table

1.4 Atomic Bonding in Solids

knowledge of physical properties of materials
Interaction between two atoms; the ideal case (forces and potential energy models
Fig 3)

FA
Force of
attraction

Net force

ro Interatomic separation

FR

Repulsive
force

Figure 3 Repulsive, attractive and net forces (potential energy) as a function of interatomic
spacing for two isolated atoms

Bonding energy (minimum potential energy)

In reality, three types of primary bonding + Secondary bonding
Ionic, Covalent and Metallic bonding, Van der Waals, Hydrogen bonding
Ionic bonding - transfer of valence electrons (formation of ions)
Covalent bonding - sharing of electrons
Metallic bonding - ion ores and electron cloud formation
Van der Waals bonding - from dipoles
Hydrogen bonding - special case of Van der Waals bonding

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Table 3 Bonding energies and Melting temperatures for various substances

Bonding Type Substance Bonding Energy Melting

Temperature
o
kJ/mole eV/atom, ion, C
molecule
Ionic NaCl 640 3.3 801
MgO 1000 5.2 2800
Covalent Si 450 4.7 1410
C (diamond) 513 7.4 >3550
Metallic Al 324 3.4 660
Fe 406 4.2 1538
W 849 8.8 3410
Van der Waals Ar 7.7 .08 -189
Cl 31 .32 -101
Hydrogen NH3 35 .36 -78
H2O 51 .52 0

2.0 CRYSTAL STRUCTURE OF MATERIALS

2.1 Introduction

Why metals have different properties? Soft, hard, brittle, ductile

Atomic Structure - electron structure of individual atoms; bonding mechanisms
Other factors that predict properties:
crystal structure (solid state)
composition of metal
impurities and vacancies
grain size, boundaries, environment, surface condition
method of manufacture

2.2 Crystal Structure

Solid materials classified according to regularity with which atoms or ions are
arranged with respect to one another - over large atomic distances
atoms bonded to nearest neighboring atom
all metals, many ceramic materials, certain polymers form crystalline
structures on solidification
Unit cell (small repeating entities) - basic structural unit or building block of the
crystal structure and defines the crystal structure by virtue of its geometry and the
atom positions within.
Solidification process
Amorphous material (non-crystalline) - atomic structure resembles that of a liquid
(supercooled liquid); rapid cooling e.g. SiO2 , inorganic gases, polymers
Atomic hard sphere model ; Lattice Structure, Space lattice
Lattice parameters of a unit cell (Fig 2.1)
Z

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 c

Y
b
a
X
Fig 2.1

Form of the unit cell is a function of the interfacial angles and dimensions
Seven different crystal systems available
cubic, monoclinic, triclinic, tetragonal, orthorhombic, rhombohedral,
hexagonal, Examples of materials Table 3.1
14 possible types of space lattices in these seven systems of crystals (Bravais Lattice
structure)

Metallic crystal structures

most common in metals BCC, FCC, HCP (simplest atomic structures using hard
sphere model): Fig 3.2
Co-ordination Number
defined as number of nearest atoms which are directly surrounding a given
atom
Simple Cubic Structure = 6, BCC = 8, FCC = 12, HCP = 12
Atomic Radius
defined as half the distance between nearest neighbours in a crystal of a pure
element (assume spherical model and calculate radius for each structure)
Number of atoms per unit cell (calculate)
Atomic Packing Factor
defined as ratio of volume of atoms per unit cell to total volume occupied
by the unit cell (calculate)

Type of cubic cell Atomic Radius Number of atoms Atomic packing Coordination
per unit cell factor number
Simple cubic a/2 1 0.53 6
Body centred 3a/4 2 .68 8
cubic
Face Centred a/2 2 4 .74 12
Cubic

Worked examples

Crystal Directions, Planes and Miller Indices

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 Y

3.0 Imperfection in Solids

Ideal crystal does not exit; all contain large no. of defects or imperfections - based on
theoretical and experimental results (e.g. Modulus of Elasticity)
Properties of material affected (tensile strength, deformation mechanism etc..)
Imperfections classified according to geometry of the defect
Point defect
Vacancy, self interstitial
Number of vacancies Nv=N exp (-QvkT)
Qv= Activation Energy, k=Boltzman Constant (example Nv for Cu at 1000oC. Qv= .9 eV/atom, atomic weight=
63.5 g/mol, density =8./4 g/cm3. )
Impurities in solid solutions (alloys)
substitutional and interstitial solid solutions
Cu/Ni alloy, Fe alloys with Carbon.

Vacancy

Self interstitial atom

Grain boundary

Substitutional
impurity atom
Edge dislocation

Interstitial impurity atom

Line defect (Dislocations-linear defects)
edge dislocations
screw dislocations
mixed dislocations
Surface defect (Interfacial defects)
External surfaces (liquids)
Grains and Grain boundaries
Twin boundaries
Bulk or Volume defects
Pores, cracks, foreign inclusions, other phases

Prepared by: Dr.D.K.Hurreeram

August 04
3.1 Deformation of crystal structures

Change in dimension or forms of matter under the action of applied forces (permanent or
temporary)
Types of metal deformation
Elastic deformation

Force or
Stress

Plastic deformation

Elastic deformation Elastometric deformation

Extension or Strain

Elastometric deformation (some polymers, rubber, elastomers)

Plastic deformation
Slip mechanism

4.0 Strengthening Mechanism in Metals

Plastic deformation - ability of dislocations to move

Restricting or hindering dislocation motion renders metal harder and stronger
Strengthening by grain size reduction
Solid solution hardening
Strain hardening
Recovery, Recrystallisation and Grain Growth

5.0 Physical and Mechanical Properties of Metals

Physical properties
Types of forces (Tensile, compressive, shear, torsion)
Concepts of Stress and Strain
Relationship between applied load and deformation
Tensile, Compressive, Shear stress and strain
Tension, compressive, shear and torsional tests
Stress/Strain behaviour
Mechanical properties (Modulus of Elasticity, Hookes Law, Modulus of
Rigidity or Shear Modulus, Limit of Proportionality, Elastic and Plastic
deformation, Tensile Strength, Proof Stress, Permanent set, Necking,
Ductility, Brittleness, Toughness, Poisson Ratio, Yielding and Yield
Strength, Resilience, Stiffness, True Stress and True Strain

Prepared by: Dr.D.K.Hurreeram

August 04
6.0 Hardness
Rockwell Hardness Tests
Brinell Hardness Tests
Knoop and Vickers Micro Hardness Tests
Impact Tests
Charpy and Izod Tests
Hardness and Tensile Strength
Safety Factor
Fatigue
Creep
Failure Modes

Prepared by: Dr.D.K.Hurreeram

August 04