Chapter 2.

Atomic Structure and Interatomic Bonding 12/7/2022

HANOI UNIVERSITY OF SCIENCE AND TECHNOLOGY ATOMIC STRUCTURE AND INTERATOMIC BONDING
SCHOOL OF MATERIALS SCIENCE & ENGINEERING
Reading: Chapter 2
MSE 1012
Overview
INTRODUCTION TO MATERIALS SCIENCE & ENGINEERING
✓ Electrons in atoms (Bohr and QM
NGUYEN VAN DUC models);
duc.nguyenvan@hust.edu.vn ✓ Bonding between atoms;
Text books:
Dep. of Materials, Heat & Surface Treatment
✓ Relation to macroscopic properties.
1) William D. Callister, Jr; Fundamentals of Materials Science and Engineering;
John Wiley & Sons, Inc.; New York; 2001.
2) R. E. Smallman; Modern Physical Metallurgy and Materials Engineering;
Butterworth-Heinemann; Sixth Edition; 1999.
3) Robert W. CAHN and Peter HAASEN; Physical Metallurgy; Elsevier Science
B.V. ; Fourth edition; Volume 1 & 2; 1996. 1 2

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Bohr atomic model

• Electrons are assumed to revolve around the
atomic nucleus in discrete orbitals, and the
position of any particular electron is well defined
in terms of its orbital.
• The energies of electrons are quantized; that is,
electrons are permitted to have only specific
values of energy.
• An electron may change energy, but in doing so
it must make a quantum jump either to an
allowed higher energy (with absorption of
energy) or to a lower energy (with emission of
energy).
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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

WAVE MECHANICAL MODEL

QUANTUM NUMBERS
✓ Using wave mechanics, every electron in an atom is
characterized by four parameters called quantum
numbers.
✓ Shells are specified by a principal quantum number n,
designated by the letters K, L, M, N, O corresponding
respectively, to n = 1, 2, 3, 4, 5. Note that this quantum
number, and it only, is also associated with the Bohr
model. This quantum number is related to the distance of
an electron from the nucleus, or its position.
✓ The second quantum number, l, signifies the subshell,
which is denoted by a lowercase letter—an s, p, d, or f ; it
is related to the shape of the electron subshell.
✓ Magnetic number ml
✓ Spin ms 5 6

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Comparison of Bohr (a) and QM (b) models

Energy level:
• n -> energy 
1s<2s<3s<4s
•Within each shell:
3s<3p<3d
•Overlap in energy level:
3d>4s; 4f>5p>5s

Fig. 2.4 (C.D. William) 8th

Schematic representation
of the relative energies of
the electrons

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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

Electron Configuration
Shorthand notation to represent which states electrons occupy
in an atom (without specifying electron spin).

Note
- each energy level can only hold two electrons of opposite spin
(Pauli exclusion principle).
-For every subshell levels, each energy state is filled with one
electron before electrons are paired up.
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Valence electrons: are those that occupy the outermost filled shell. Many
Physical and Chemical properties of solid are based on these electrons
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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

Electron Configuration ATOMIC BONDING IN SOLIDS

Valence electrons determine which group atoms belong to An understanding of many of
the physical properties of
1 electron in the s-orbital: Alkali metals materials is predicated on
Li, Na, K, Rb… a knowledge of the interatomic
forces that bind the atoms
2 electrons in the s-orbital: Alkaline earths
together.
Be, Mg, Ca…
Perhaps the principles of atomic
Filled s-orbital and 4 electrons in p-orbital: Chalcogens bonding are best illustrated by
O, S, Se… considering the interaction
Filled s-orbital and 5 electrons in p-orbital: Halogens between two isolated atoms as
F, Cl, Br… they are brought into close
Partially filled d-orbital: Transition metals proximity from an infinite
e.g. Mn, Fe, Co… separation.
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ATOMIC BONDING IN SOLIDS

At large distances, the interactions are
Ionic Bonding
negligible; but as the atoms approach,
each exerts forces on the other.
These forces are of two types, attractive
and repulsive, and the magnitude of each
is a function of the interatomic distance.
The net force FN between the two atoms
is just the sum of both attractive
and repulsive components:
FN = FA + FR

Sometimes it is more convenient to work

with the potential energies between two
atoms instead of forces. Mathematically,
energy (E) and force (F) are related as

Equilibrium bond length 15 16

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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

Ionic Bonding Ionic Bonding

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Ionic Bonding Ionic Bonding: Examples

The attractive bonding forces are
coulombic;
Ionic bonding is termed nondirectional,
that is, the magnitude of the bond is
equal in all directions around an ion.
It follows that for ionic materials to be
stable, all positive ions must have as
nearest neighbors negatively charged
ions in a threedimensional scheme Bonding energies, which
generally range between 600
and 1500 kJ/mol (3 and 8
The predominant bonding in eV/atom), are relatively large,
ceramic materials is ionic.
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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

Covalent Bonding
✓ In covalent bonding stable electron configurations are
assumed by the sharing of electrons between adjacent
atoms.
✓ Two atoms that are covalently bonded will each contribute
at least one electron to the bond, and the shared electrons
may be considered to belong to both atoms.
✓ The number of covalent bonds (X) that is possible for a
particular atom is deter mined by the number of valence
electrons. For N valence electrons, an atom can covalently
bond with at most 8 – N other atoms.

Example: Cl2 (X=1); C (X=4)

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Covalent Bonding: Examples

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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

Covalent Bonding: Examples The Electro-negativity for the Elements

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Metallic Bonding

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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

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Modulus E vs Atomic bonding

Modulus E is proportional to the slope

of the interatomic force–separation
curve at the equilibrium spacing:
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Chapter 2. Atomic Structure and Interatomic Bonding 12/7/2022

Thermal expansion

Thermal expansion is really due to the asymmetric curvature

of this potential energy trough, rather than the increased
atomic vibrational amplitudes with rising temperature. If the
potential energy curve were symmetric (Figure b), there
would be no net change in interatomic separation and,
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consequently, no thermal expansion.

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QUIZ N1.
HOME WORK #1 For a ion pair K+ and Cl-, attractive and repulsive energies EA and ER,
respectively, depend on the distance between the ions r, according to
Due on Tuesday, Week 4

Chaper 2:
(William D. Callister, Jr. Materials Science and Engineering An Introduction
8th Edition)

2.1; 2.4; 2.5; 2.7; 2.11; 2.14; 2.15; 2.18; 2.19; 2.22
For these expressions, energies are expressed in electron volts per
pair, and r is the distance in nanometers.
Determine the equilibrium spacing r0 between the K+ and Cl-
ions, and the magnitude of the bonding energy E 0 between the two
ions.

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