Deepak Verma

Introduction to Materials Science and Engineering

• Materials and civilization

• Material and Engineering
• Structure properties Performance
• Types of materials

Historical Perspective
Stone → Bronze → Iron → Advanced materials
 STONE

• Beginning of the Material Science - People

began to make tools from stone – Start of the
Stone Age about two million years ago.
Natural materials: stone, wood, clay, skins,
etc.

The Stone Age ended about 5000

years ago with introduction of
Bronze in the Far East.
 Bronze is an alloy (a metal made up of more than one element),
copper + < 25% of tin + other elements.
Bronze: can be hammered or cast into a variety of shapes, can be
made harder by alloying, corrode only slowly after a surface oxide
film forms.

• The Iron Age began about 3000 years ago and continues today.
Use of iron and steel, a stronger and cheaper material changed
drastically daily life of a common person.

• Age of Advanced materials: throughout the Iron Age many new

types of materials have been introduced (ceramic,
semiconductors, polymers, composites…). Understanding of the
relationship among structure, properties, processing, and
performance of materials. Intelligent design of new materials.
Materials and Civilization
• Materials are integral part of human culture
• In the past: Stone, Bronze and Iron ages

• Role of Engineer: Adapting materials and energy to society’s needs

• The properties of materials depends on the internal

structure

• To change the performance of materials, modification

of the internal structure is required
Materials and Civilization
• Human are able to make things: Objects tools, component
systems

• This require materials to meet these purposes

• Anthropolgists and historians identified the early cultures by the

most significant materials used then, e.g. Stone, the Bronze. and
the Iron Ages of the past

• These days, are not limited to one predominant material. A lot of

sophisticated materials-plastics, silicon, titanium, high-
technology ceramics, optical fibers, and so on
• The age of technology.
 Graphite
Glass: amorphous
Ceramics

Crystal
Metals Polymers
Materials and Engineering
• Engineer, design products and systems and monitor
their use

• Every product is made of materials and energy is

involved in production and in use.

• This is why all Engineers have to study materials

science during their undergraduate study
New materials technologies and processes to support increased
recirculation of materials

Carbon fiber-reinforced plastics were at the heart of this bike built by Lotus Engineering for
the 1992 Barcelona Olympics. It helped Chris Boardman win gold
Example of the material content of a mobile phone in wt.%.
http://ukinsurances.tk/mace/design-with-advanced-composite-materials-buj.php
 Course Description

Introduction to material science and

engineering, Atomic structure and
bonding in materials, Crystal structure
and crystal geometry, Solidification,
crystalline imperfection and diffusion
in solids, Phase diagrams, engineering
alloys, Corrosion and degradation of
materials, Introduction to ceramic,
magnetic materials, polymers,
nanomaterials, electronic materials,
composite materials, Materials
synthesis techniques and applications
of materials.
 Course Abstract

This course is designed to introduce the students of the multidisciplinary approach

and understanding the structural, mechanical, electrical, optical and magnetic
properties. The course will provide the significant insight about the fundamental
characteristics of metals, ceramic, nanomaterials, polymers and nanocomposites.
 Course Objectives
•To give the students theoretical and application based knowledge in materials science and engineering.

•Make them understand the basics of material science in depth and apply the knowledge to other advanced courses of
chemical and mechanical engineering

You will learn about:

• material structure
how structure dictates properties
how processing can change
structure
 Learning Outcomes

Upon successful completion of this course, a student will attain:

•The ability to understand the fundamentals of materials science and engineering of the

materials.

•Understanding of the underlying basics of materials processing and properties,

•Get the exposure to experimental work and materials characterization techniques.

•Application of mathematical physics, chemistry, and engineering to Material Science.

•Develop the skill to work on the interdisciplinary task.

•The ability to work in a group to find a solution to engineering problems.

 Expectations from Students
•Students must be interactive in the classroom and should follow the

appropriate instructions given by the instructor.

•Students should submit the home assignment on time. Students should be

ready to work in groups.

 Project / Assignment Details
•Students will be asked to do the projects within the course domain and submit a report.
•The project will be evaluated in terms of viva examination or class presentations.
Faculty will give numerical for understanding the concepts as a part of home assignment
 Course Material
Suggested Textbook:
Materials Science and Engineering: An Introduction , William D. Callister 6th edition,
John Wiley & Sons.

Reference Books / Reading Material

1. Materials Science and Engineering by William F. Smith, 3rd Edition, McGraw- Hill,
2. Elements of X-ray Diffraction, B.D. Cullity and S.R. Stock, 3rd edition Pearson.
3. Materials Science and Engineering - A first Course by V. Raghavan, 5th Edition
4. Introduction to Materials Science for Engineers, Shackelford, 7th Edition, Pearson
Prentice Hall

Academic success is directly proportional to the amount of time

devoted to study.
 Units of Length

1 cm* ➔ 10–2 m ➔ 0.01 m

1 mm  10–3 m  0.001 m
1 micron (μm)  10–6 m  0.000001 m
1 nanometer (nm)  10–9 m  0.000000001 m
1 Angstrom (Å)  10–10 m  0.0000000001 m

20
THE CENTRAL PARADIGM OF MATERIALS SCIENCE AND
ENGINEERING
Processing - Structure - Property - Performance

Performance

Properties

Structure

Processing

M.F. Ashby, Material Selection in Mechanical Design

 The connection between the processing of a new material/product
and recycling/reusing in terms of the MS&E paradigm can be
appreciated through the following descriptions.

1. Any substance can be classified as gas, liquid or solid (solids: amorphous or

crystalline (structure))

2. All substances, raw materials (reactants), by-products and residues have

properties.

3. The substances can be transformed or manufactured (processing) for the

first time or in a recycling/reusing operation.

4. The recycled/reused material/product also have properties and, depending

on a necessity (application), it can perform a function.
New model proposing incorporation of recycling/reusing into
the MS&E paradigm

M.F. Ashby, Material Selection in Mechanical Design

Evaluation of Engineering Materials with Time

M.F. Ashby, Material Selection in Mechanical Design

Classification of Materials

METALS

POLYMERS CERAMICS

MATERIALS

SEMICONDUCTOR BIOMATERIALS

COMPOSITES
 Metals
Iron/Steel - Steel alloys are used for strength critical applications
Aluminum - Aluminum and its alloys are used because they are easy to form, readily
available, inexpensive, and recyclable.
Copper - Copper and copper alloys have a number of properties that make them useful,
including high electrical and thermal conductivity, high ductility, and good corrosion
resistance.
Titanium - Titanium alloys are used for strength in higher temperature (~1000° F)
application, when component weight is a concern, or when good corrosion resistance is
required
Nickel - Nickel alloys are used for still higher temperatures (~1500-2000° F) applications
or when good corrosion resistance is required.
Refractory materials are used for the highest temperature (> 2000° F) applications.

https://www.nde-ed.org/EducationResources/CommunityCollege/Materials/Introduction/metals.htm
 Ceramics

Materials consisting of compound of metals and nonmetals. Ceramic materials are

usually hard and brittle.

Examples : Clay products, glass, and pure aluminum oxide that has been compacted
and densified.
http://pubs.rsc.org/en/content/articlelanding/2001/dt/b007852m/unauth#!divAbstract
 Semiconducting Materials

Semiconductor has electrical properties that are intermediate between the electrical
conductor and insulator.
 composites
A composite is designed to display a combination of the best characteristics of each
of the component materials.

https://www.omicsonline.com/open-access/design-analysis-and-comparison-between-the-conventional-materialswith-composite-material-of-the-leaf-springs-fmoa-
1000127.php?aid=77414
 Polymers
Materials consisting of long molecular chains or networks of low –weight elements
such as carbon, hydrogen, oxygen, and nitrogen.

Polymeros
(Greek word)

Poly Meros
(meaning many) (meaning parts)

Polymer

https://chem.libretexts.org/Textbook_Maps/General_Chemistry_Textbook_Maps/Map%3A_Chemistry_(Averill_and_Eldredge)/12%3A_Solids/12.8%3A_Polymeric_Soli
ds
Design Flow Chart

M.F. Ashby, Material Selection in Mechanical Design

 Material Selection in Mechanical Desgin

Material Synthesis Techniques

M.F. Ashby, Material Selection in Mechanical Design

 Atomic structure and bonding in materials

• Atomic Structure
• Electron Configuration
• Periodic Table
• Primary Bonding
– Ionic
– Covalent
– Metallic
• Secondary Bonding or van der Waals Bonding
– Three types of Dipole Bonding
• Molecules
Why Study Atomic Structure and Interatomic Bonding?

Two Allotropes of CARBON

The hardest known material

- Relatively soft - Poor conductor of electricity
- Greasy feel to it
- Reasonably good
conductor of electricity

The disparities in properties are attributed to a type of interatomic bonding found in

graphite that does not exist in diamond
 ISSUES TO ADDRESS...

• What promotes bonding?

• What types of bonds are there?

• What properties are inferred from bonding?

 Review of Atomic Structure

Charges:
Electrons (-): protons(+) 1.6 × 10-19 Coulombs.
Neutrons are electrically neutral.
Masses:
Protons and Neutrons ~1.67 × 10-27 kg.
Electron 9.11 × 10-31 kg

Atomic mass = # protons + # neutrons

Atomic number (Z) = # protons

→chemical identification of element

Isotope number → # neutrons

 Some simple calculations
Number density, n: (number of atoms per cm3)
Mass density, ρ (g/cm3)
Atomic mass, A (g/mol):

n = Nav × ρ / A

Graphite (carbon): ρ = 2.3 g/cm3, A = 12 g/mol

n = 6×1023 atoms/mol × 2.3 g/cm3 / 12 g/mol
= 1.15 × 1023 atoms/cm3

Diamond (carbon): ρ = 3.5 g/cm3, A = 12 g/mol

n = 6×1023 atoms/mol × 3.5 g/cm3 / 12 g/mol
= 1.75 × 1023 atoms/cm3

Water (H2O) ρ = 1 g/cm3, A = 18 g/mol

n = 6×1023 molecules/mol × 1 g/cm3 / 18 g/mol
= 3.3 × 1022 molecules/cm3

SIZE of a Atom or Molecule

1022
If n = 6 × atoms/cm3
Mean separation between atoms L = (1/n)1/3 = 0.25 nm.
❑ scale of atomic structure in solids – a fraction of 1 nm
or a few Angstroms
 Electrons In Atoms- Bohr Atomic Model

! Bohr atomic model: Electrons are assumed to revolve around the atomic nucleus in
discrete orbitals, and the position of any particular electron is more or less well defined in
terms of its orbital.

! Quantum-mechanical principle: the energies of electrons are quantized---electrons are

permitted to have only specific values of energy. Energy levels or states are separated by
finite energies
Wave mechanics to arrive at same place: E=E(n,l,m,s)
• The Bohr model – significant limitations
• Resolution: Wave-mechanical model
(electron is considered to exhibit both wave-like and
particle-like characteristics).
 Beyond Bohr’s Model
De Broglie wavelength:
De Broglie wavelength states that electrons have wavelike motion

Heisenberg Uncertainty Principle:

It is impossible to know simultaneously the exact position and momentum of a particle.

The more accurately we know the position of the particle (smaller Δx), the less
accurately we know its speed (larger Δu) and vice versa.

Wave motion of objects on the atomic scale Schrödinger’s wave equation incorporates
both the wave--‐like and particle-like behavior of the electron.

Wave function, ψ, Ψ2 provides information about an electron’s location when

it s in an allowed energy state
 Quantum Mechanics and Atomic Orbitals

Electron density: probability of the electron

being at a point

Higher density of dots region: larger

values of Ψ2

Electron-density diagram in the

ground state of The hydrogen atom
Bohr Model vs. Wave Mechanical Atom Model

With WM model electron no longer treated as a

particle moving in a discrete orbital, rather position
is described by a probability distribution
 Electronic structure of isolated atoms
• The characteristics below stem from their wavelike nature.
– electrons are in orbitals
– each orbital is at a discrete energy level determined by its quantum numbers

Quantum Number Designation

n = principal (energy level-shell) 1,2,3,4,5,6,7 (K, L, M, N, O,…)
l = angular (sub shell, shape) s, p, d, f (n of them to max of 4)
ml = magnetic - l to + l by integers, including 0
ms = spin ½, -½

❖ Dynamic periodic table

❖ Atomic orbitals
Quantum numbers continue..
Table 2.3
#1 Principal Shell #2 #3 Number of Electrons
Quantum No. n Subshell l No. of States Per Subshell Per Shell
1 K s 1 2 2
S 1 2
2 L 8
P 3 6
s 1 2
3 M P 3 6 18
d 5 10
4 N s 1 2 32

49
 Ground-state energy levels of some elements
Element Atomic # Electron configuration
Hydrogen 1 1s 1
Helium 2 1s 2 (stable)
Lithium 3 1s 2 2s 1
Beryllium 4 1s 2 2s 2
Boron 5 1s 2 2s 2 2p 1
Carbon 6 1s 2 2s 2 2p 2
... ...
Neon 10 1s 2 2s 2 2p 6 (stable)
Sodium 11 1s 2 2s 2 2p 6 3s 1
Magnesium 12 1s 2 2s 2 2p 6 3s 2
Aluminum 13 1s 2 2s 2 2p 6 3s 2 3p 1
... ...
Argon 18 1s 2 2s 2 2p 6 3s 2 3p 6 (stable)
... ... ...
Krypton 36 1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 6 (stable)

The electron configuration is stable only for the noble gases. Except for
noble gases, the outer shell is not completely filled and so one or more
electrons may be lost or gained to form an ion,
or shared in a covalent bond.
 Electronic Configurations
ex: Fe - atomic # = 26 1s2 2s2 2p6 3s2 3p6 3d 6 4s2

4d
4p N-shell n = 4 valence
electrons
3d
4s

Energy 3p M-shell n = 3
3s
Adapted from Fig. 2.4, Callister
& Rethwisch 8e.
2p L-shell n = 2
2s

1s K-shell n = 1

51
The chlorine atom has a higher electronegativity than the hydrogen atom,
so the bonding electrons will be closer to the Cl than to the H in the HCl
molecule.

In the O2 molecule, both atoms have the same electronegativity. The

electrons in the covalent bond are shared equally between the two oxygen
atoms.
 Electron Configurations

• Valence electrons – those in unfilled shells

• Filled shells more stable
• Valence electrons are most available for bonding
and tend to control the chemical properties

– example: C (atomic number = 6)

1s2 2s2 2p2

valence electrons

57
• Valence electrons determine all of the
following properties
1) Chemical
2) Electrical
3) Thermal
4) Optical
 The Periodic
• Columns: Similar Valence Structure
Table

inert gases
give up 1e-
give up 2e-

accept 2e-
accept 1e-
give up 3e-

H He
Li Be O F Ne
Adapted from
Na Mg S Cl Ar Fig. 2.6,
Callister &
K Ca Sc Se Br Kr
Rethwisch 8e.
Rb Sr Y Te I Xe
Cs Ba Po At Rn
Fr Ra

Electropositive elements: Electronegative elements:

Readily give up electrons Readily acquire electrons
to become + ions. to become - ions.
59
 Electronegativity
• Ranges from 0.7 to 4.0,
• Large values: tendency to acquire electrons.

Smaller electronegativity Larger electronegativity

Adapted from Fig. 2.7, Callister & Rethwisch 8e. (Fig. 2.7 is adapted from Linus Pauling, The Nature of the Chemical
Bond, 3rd edition, Copyright 1939 and 1940, 3rd edition. Copyright 1960 by Cornell University.
The most electronegative elements are fluorine, oxygen and nitrogen, which have electronegativity of 60
4.1,3.5, and 3.1 respectively. It is varied in the 0 to 4.1
 Bonding in solids

Interatomic forces that bind the atoms together are important to understand many
properties of materials.

• Start with two atoms infinitely separated

• At large distances, interactions are negligible
• At small distances, each atom exerts forces on the other.
• Two types of forces: attractive, FA, and repulsive, FR
 Bonding in solids
• As two atoms approach one
another, they at first experience
an attraction.
• They repel one another when
they are brought very close.
• r0 is the equilibrium distance.
• The type of bonding in a solid
depends on the behavior of the
atoms' outer “valence” electrons.

• Metallic: outer electrons shared in a cloud or sea.

• Ionic
– Cations have given up one or more electrons
– Anions have gained one or more electrons
• Covalent: atoms share outer electrons
• Mixed ionic and covalent
• Van der Waals: electrostatic due to non-uniform charge distribution. Weak
Atomic Bounding in solids continue…
Energy, E =  Fdr Where, F= force
r
Net energy, EN =  FN dr

r r
=  FA dr +  FR dr
 

= EA + ER
Net energy= Attractive energy + Repulsive energy

64
 r0

Repulsive energy ER

Interatomic separation r

Net energy EN

-
A +
B
EN = EA + ER =
r rn
Attractive energy EA

Stable at minimum energy E0 for radius r0.

Force = dE/dr = 0 at r0
r0

Then, Eo=Bonding energy (Energy at minimum point) 65

 Types of Bonding
Primary Bonding: e- are transferred or shared
Strong (100-1000 KJ/mol or 1-10 eV/atom)
Ionic:
Example - Na+Cl
Strong Coulomb interaction between
a positive atom (lost an electron, Na+) and
a negative atom (an extra electron, Cl-)

Covalent: electrons shared between the atoms.

Example - H2

Metallic:
Atoms lose some electrons from valence band
Those electrons are shared by all the material

Secondary Bonding: no e- transferred or shared

Interaction of atomic/molecular dipoles
Weak (< 100 KJ/mol or < 1 eV/atom)
➢ Fluctuating Induced Dipole (inert gases, H2, Cl2…)
➢ Permanent dipoles (polar molecules - H2O, HCl...)

66
 Typical ionic bond:

• The greater the difference in electronegativity, the greater the tendency to form
an ionic bond.
• Consider magnesium and oxygen with electronegativities of 1.31 and 3.44.
• Here’s what happens when Mg and O come near one another:

Mg 1s2 2s2 2p6 3s2 O 1s2 2s2 2p4

(Ne + 3s2) (Ne – 2p2)

Mg2+ 1s2 2s2 2p6 O2- 1s2 2s2 2p6

(Ne) (Ne)
cation anion electron(s)

+ -
Coulombic
Attraction
 Ionic Bonding (I)

Mutual ionization by electron transfer

(remember electronegativity table)
• Anion = negatively charged atom
• Cation = positively charged atom
Ions are attracted by strong coulombic interaction
• Oppositely charged atoms attract
• An ionic bond is non-directional

Example: NaCl
Na has 11 electrons, 1 more than needed for a full outer shell (Neon)

11 Protons Na 1S2 2S2 2P6 3S1 donates e-

11 Protons Na+ 1S2 2S2 2P6 10 e- left
Cl has 17 electron, 1 less than needed for a full outer shell (Argon)

17 Protons Cl 1S2 2S2 2P6 3S2 3P5 receives e-

17 Protons Cl- 1S2 2S2 2P6 3S2 3P6 18 e-
68
 Ionic bonding in a crystal

• In a crystal, a cation (+ charge) is attracted not only by the nearest anions,

but to a lesser extent by those farther away.
• Similarly, it is repelled by all other cations.
• The sum of the energy due to all attractions and repulsions is known as the
Madelung energy. This is approximately 60% greater than the energy of
attraction for isolated ions the same distance apart as in the lattice.

69
1. Oppositely charged ions attract, attractive force is coulombic.

2. Ionic bond is non-directional, ions get attracted to one another in any direction.

3. Bonding energies are high => 2 to 5 eV/atom,molecule,ion

4. Hard materials, brittle, high melting temperature, electrically and thermally

insulating
 Examples: Ionic Bonding
• Predominant bonding in Ceramics

NaCl
MgO
CaF 2
CsCl

Give up electrons Acquire electrons

Adapted from Fig. 2.7, Callister & Rethwisch 4e. (Fig. 2.7 is adapted from Linus Pauling, The Nature of the Chemical
Bond, 3rd edition, Copyright 1939 and 1940, 3rd edition. Copyright 1960 by Cornell University.

71
 Mixed Ionic-Covalent Bonding
• Ionic-Covalent Mixed Bonding
 - 
2
( X X )
- A B
• Approximate fraction ionic character  1 - e 4 
 
where XA & XB are the two electronegativities.  

Example: MgO. Using the 1960 values in the text,

XMg = 1.2 and XO = 3.5,
the equation above predicts that the bond between Mg and O has
about 73% ionic character and 27% covalent.

Using the revised values given on Wikipedia,

XMg = 1.31 and XO = 3.44,
the equation above predicts that the bond between Mg and O has
about 68% ionic character and 32% covalent.
Metallic Bonds
•Metals have 1, 2 or 3 valence electrons
•Valence electrons are not bound to an atom, but are free
to drift through the entire metal. i.e, forming an “electron
cloud” (-ve)
•Remaining non-valence electrons and the atomic nuclei
form the ionic core (+ve)
•Free valence electrons shield the +ve ion core
•Non-directional
•Free valence electrons hold the ion core together
•Good conductors
73
 Covalent Bonding (I)

Electrons shared between the atoms.

Covalent bonds- HIGHLY directional in direction of greatest orbital overlap

Example: Cl2 molecule. ZCl =17 (1S2 2S2 2P6 3S2 3P5)
N’ = 7, 8 - N’ = 1 → can form only one covalent bond

74
 Secondary Bonding (I)

Secondary = physical bond

(as opposite to chemical bond that involves e- transfer) Interaction of dipoles
Is weak, ~0.1 eV/atom or ~10 kJ/mol.
_ _
+ + -two dipoles attract

Permanent dipoles exist in some molecules

polar molecules: e.g. HCl, H2O
Due to asymmetry of positive and negative regions Strongest among secondary bonds.

Polar molecule induces a dipole in adjacent non-polar molecule.

Attraction between the permanent and induced dipoles.

Fluctuations of electron density distribution in one atom A is felt by the electrons of an

adjacent atom:
Mutual dipoles induced (van der Waals)
This bond is the weakest (He-Ne, H2 - H2).
75