Materials Science and Engineering: Subrata B Ghosh

Materials Science and
Engineering
Subrata B Ghosh
ATOMIC STRUCTURE & BONDING

Properties
Materials Science
Structure
Materials Engineering
Processing
Electronic level (subatomic)

Atomic (molecular level, chemical composition)
Crystal (arrangement of atoms or ions wrt one another)
Microstructure (can study with microscopes)
Macrostructure (can see with naked eye)
Objectives
To describe the underlying physical
concepts related to the structure of matter.
To examine the relationships between
structure of atoms-bonds-properties of
engineering materials.
Learn about different levels of structure i.e.
atomic structure, nanostructure,
microstructure, and macrostructure.
The Structure of Materials:

Technological Relevance
Nanotechnology
Micro-electromechanical (MEMS)
systems-Airbag
sensors
Nanostructures
Levels of Structure
Level of Structure
Example of Technologies
Atomic Structure
(10-10 m)
Diamond edge of
cutting tools
Atomic Arrangements: Amorphous silica - fiber

Short-Range Order
optical communications
(SRO)
industry
(1-10 A)
Atomic Arrangements: Lead-zirconium-titanate

Long-Range Order
[Pb(Zrx Ti1-x )O3] or PZT
(LRO)
gas igniters, Ultrasound
(10 nm-cm)
5
(Continued)
Level of Structure
Example of Technologies
Nanostructure
(1-500 nm)
Nano-sized particles of
iron oxide ferrofluids
Microstructure
(0.1-100m)
Mechanical strength of
metals and alloys
Macrostructure
(10-4 m or more)
resistance
Paints for automobiles

for corrosion
Importance of Atomic
Structure?
Properties of materials depend on geometrical
atomic arrangements and interactions among
the atoms, which eventually are controlled by
the subatomic structure of the materials.
For example: Carbon (pure) can exist as graphite
and diamond.
Graphite is soft and greasy feel to it, Diamond is
the hardest known material. This difference is
because of the type of interatomic bonding in
graphite and diamond.
The Structure of the Atom

The atomic number of an element is equal to
the number of electrons or protons in each
atom.
The atomic mass of an element is equal to the
average number of protons and neutrons in
the atom.
The Avogadro number of an element is the
number of atoms or molecules in a mole.
The atomic mass unit of an element is the
mass of an atom expressed as 1/12 the mass
of a carbon atom.
8
Example 1
Calculate the Number of Atoms in Silver
Calculate the number of atoms in 100 g of silver.

SOLUTION
23
The number of silver atoms is = (100 g )( 6 .023 10
atoms
mol
(107 .868 g mol )

=5.58 1023
Nano-Sized Iron-Platinum
Particles For Information Storage
Scientists are considering using nano-particles of such
magnetic materials as iron-platinum (Fe-Pt) as a medium
for ultrahigh density data storage. Arrays of such particles
potentially can lead to storage of trillions of bits of data
per square incha capacity that will be 10 to 100 times
higher than any other devices such as computer hard
disks. If these scientists considered iron (Fe) particles that
are 3 nm in diameter, what will be the number of atoms in
one such particle?
10
SOLUTION
The radius of a particle is 1.5 nm.
Volume of each iron magnetic nano-particle
= (4/3)(1.5 10-7 cm)3
= 1.4137 10-20 cm3
Density of iron = 7.8 g/cm3. Atomic mass of iron
is 56 g/mol.
Mass of each iron nano-particle
= 7.8 g/cm3 1.4137 10-20 cm3
= 1.102 10-19 g.
One mole or 56 g of Fe contains 6.023 1023
atoms, therefore, the number of atoms in one
Fe nano-particle will be 1186.
11
Atomic Model
Bohr atomic model describe the electrons in terms of their
positions (orbitals) and energy (quantized energy levels).
electrons:
n = principal
quantum number
1
2
n=3
Nucleus:
Adapted from Fig. 2.1,

Callister 6e.
Z = # protons
= 1 for hydrogen to 94 for plutonium
N = # neutrons
Atomic mass A Z + N
n labels shells; shells are composed of sub-shells: s, p, d, f,
Atomic Structure
Atomic Orbitals:
An s orbital has a sphere of electron density and is lower in
energy than the other orbitals of the same shell.
A p orbital has a dumbbell shape and contains a node of electron
density at the nucleus. It is higher in energy than an s orbital.
There are three p orbitals in the same shell.
Electron Energy States

Electrons...
have discrete energy states
tend to occupy lowest available energy state.
Maximum electrons
In orbitals/sub-shells
s=2
p=6
d = 10
f = 14
Maximum electrons in
nth shell = 2n2
Atomic Model
Limitations of Bohr model was resolved by wavemechanical model of the atom. In this model,
electrons exhibit wavelike and particle like
characteristics and position is considered as the
probability of an electrons being at various
locations or electron cloud.
NOTE: Atomic spectra: When an electric discharge

(spark) passes through a gas (H2), it excites or
energizes the atoms of the gas. More specifically it
excites the electrons of the atoms. The atoms then
emit the absorbed energy in the form of light as the
electrons return to a lower energy state.
15
Atomic Structure
Rules for sequentially adding electrons:
Aufbau principle: Orbitals fill in order of increasing
energy, lowest to highest.
Pauli exclusion principle: Only two electrons are
allowed to occupy each orbital and the spins must be
paired.
Hunds Rule: When filling orbitals of equal energy
(degenerate), one electron is added to each orbital of
equal energy until all have one electron. The three 2p
orbitals are degenerate.
Atomic Structure
Since there is only one orbital in the first shell, and each orbital
can hold a maximum of two electrons, there are two elements in
the first row, H and He. Rows represent the major energy
levels.
Each element in the second row of the periodic table has four
orbitals available to accept electrons: one 2s orbital, and three 2p
orbitals, therefore the second row elements are limited to 8
electrons.
Atomic orbitals of Carbon
17
The Electronic Structure of the

Atom
Quantum numbers are the numbers that assign
electrons in an atom to discrete energy levels.
A quantum shell is a set of fixed energy levels
to which electrons belong.
The valence of an atom is the number of
electrons in an atom that participate in bonding
or chemical reactions.
Electronegativity describes the tendency of an
atom to gain an electron.
18
Stable Electron Configurations

Stable electron configurations...
have complete s and p sub-shells 8 electrons (octet)
tend to be unreactive.
Z Element Configuration
2
He
1s2
10
Ne
1s22s 22p6
18
Ar
1s2 2s22p63s23p6
36
Kr
1s2 2s22p63s23p63d10 4s24p6
Survey of Elements
Element
Atomic #
Hydrogen
1
Helium
2
Lithium
3
Beryllium
4
Boron
5
Carbon
6
...
Neon
10
Sodium
11
Magnesium
12
Aluminum
13
...
Argon
18
...
...
Krypton
36
Electron configuration
1s 1
1s 2
(stable)
1s 22s 1
1s 22s 2
Adapted from Callister 6e.
1s 22s 22p 1
1s 22s 22p 2
...
1s 22s 22p 6
(stable)
1s 22s 22p 63s 1
1s 22s 22p 63s 2
1s 22s 22p 63s 23p 1
...
1s 22s 22p 63s 23p 6
(stable)
...
1s 22s 22p 63s 23p 63d 10 4s 24 6
(stable)
Most elements: Electron configuration not stable. Why?

Valence (outer) shell usually is not an octet.
give up 1e
give up 2e
give up 3e
Columns: Similar Valence Structure
Li Be
Metal
Nonmetal
Intermediate
accept 2e
accept 1e
inert gases
THE PERIODIC TABLE
He
Ne
Na Mg
Cl Ar
K Ca Sc
Se Br Kr
Rb Sr
Te
Cs Ba
Xe
Po At Rn
Fr Ra
Electropositive elements:
Readily give up electrons
to become + ions.
Electronegative elements:
Readily acquire electrons
to become - ions.
Adapted from
Callister 6e.
Atomic Structure
Second Row Elements: filling the 2nd major energy level.
Since each of the four orbitals available in the second shell can
hold two electrons, there is a maximum capacity of eight
electrons for elements in the second row. Each atom has an
increasing number of electrons.
The second row of the periodic chart consists of eight
elements, obtained by adding electrons to the 2s and three 2p
(The electronic configuration of C = 1s22s22p2 )
orbitals.
Figure 2.8 The atomic structure of sodium, atomic number

11, showing the electrons in the K, L, and M quantum shells
23
The complete set of quantum numbers for each of the 11

electrons in sodium
24
Figure 2.10 The electronegativities of selected elements

relative to the position of the elements in the periodic table
25
Comparing Electronegativities
Using the electronic structures, compare the electronegativities
of calcium and bromine.
SOLUTION
The electronic structures, obtained from Appendix C, are:
Ca: 1s22s22p63s23p6
4s2
Br: 1s22s22p63s23p63d10
4s24p5
Calcium has two electrons in its outer 4s orbital and bromine

has seven electrons in its outer 4s4p orbital. Calcium, with an
electronegativity of 1.0, tends to give up electrons and has low
electronegativity, but bromine, with an electronegativity of 2.8,
tends to accept electrons and is strongly electronegative. This
difference in electronegativity values suggests that these
elements may react readily to form a compound.
26
The Periodic Table

III-V semiconductor is a semiconductor that is based on
group 3A and 5B elements (e.g. GaAs).
II-VI semiconductor is a semiconductor that is based on
group 2B and 6B elements (e.g. CdSe).
Transition elements are the elements whose electronic
configurations are such that their inner d and f levels
begin to fill up.
Electropositive element is an element whose atoms want
to participate in chemical interactions by donating
electrons and are therefore highly reactive.
27
2003 Brooks/Cole Publishing / Thomson Learning
28

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Materials Science and

ATOMIC STRUCTURE & BONDING

Electronic level (subatomic)

The Structure of Materials:

Atomic Arrangements: Amorphous silica - fiber

Atomic Arrangements: Lead-zirconium-titanate

Paints for automobiles

The Structure of the Atom

Calculate the number of atoms in 100 g of silver.

(107 .868 g mol )

Adapted from Fig. 2.1,

Electron Energy States

NOTE: Atomic spectra: When an electric discharge

The Electronic Structure of the

Stable Electron Configurations

Most elements: Electron configuration not stable. Why?

Columns: Similar Valence Structure

THE PERIODIC TABLE

Figure 2.8 The atomic structure of sodium, atomic number

The complete set of quantum numbers for each of the 11

Figure 2.10 The electronegativities of selected elements

Calcium has two electrons in its outer 4s orbital and bromine

The Periodic Table

2003 Brooks/Cole Publishing / Thomson Learning

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