Fundamentals of

material science
NES 114

Engr. Jessica Laine M. Tumbaga

Atomic Structure and Interatomic Bonding

The Need to Study Atomic Structure and
Interatomic Bonding
to understand the types of bonds that will explain the
materials properties.
to determine the important quantum-mechanical
principle that relates to electron energies.
to be able to identify the different materials that
exhibits different bonding types.

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Friday, July 01, 2016

Atomic Structure and Interatomic Bonding

Atomic Structure
each atom is consists of a very
small nucleus composed of
protons and neutrons, which is
encircled by moving electrons.
Electrons
is
negatively
charged.
1.6 x 10-19 Coulombs
Protons is positively charged.
1.6 x 10-19 Coulombs
Neutrons are electrically
neutral.

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Atomic Structure and Interatomic Bonding

Definition of Terms:
Atomic Number (Z)
the number of protons within the atomic nucleus.
Atomic Mass (A)
is the sum of the masses of protons and neutrons
within the nucleus.
Isotopes
is an atom that has two or more different atomic
masses.
Atomic Weight
is the weighted average of the atomic masses of
atoms naturally occurring isotopes.

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Atomic Structure and Interatomic Bonding

Atomic Mass Unit (amu)
Is the measure of atomic mass, one twelfth of the
mass of an atom of Carbon.
Mole
the substance corresponding to 6.023 x 1023
atoms or molecules.

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Atomic Structure and Interatomic Bonding

Atomic Models
Quantum Mechanics
o a branch of physics that deals with atomic and
subatomic systems; it allows only discrete values of
energy that are separated from one another.
Bohr Atomic Model
o an early atomic model, in which electrons are
assumed to revolve around the nucleus in discrete
orbitals.

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 Bohr

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Atomic Model

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 Wave-Mechanical Model
is an atomic model in which electrons are treated as
being wavelike.

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 Quantum Numbers
a set four numbers, the values of which are used to
label possible electron states.
three of the quantum numbers are integers, which
also specify the size, shape, and spatial orientation of
an electrons probability density; the fourth number
designates spin orientation.
Electron State (level)
one of a set of discrete, quantized energies that are
allowed for electrons. In the atomic case each state is
specified by four quantum numbers.

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Atomic Structure and Interatomic Bonding

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 Energy Diagram using Wave-Mechanical Model

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 Comparison

between Bohr Atomic Model

and Wave-Mechanical Model

Bohr Atomic
Model

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Wave-Mechanical
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 Electron Configurations
for an atom, the manner in which possible electron
states are filled with electrons.
Pauli Exclusion Principle
is a quantum-mechanical concept which states that
each electron state can hold no more than two electrons,
which must have opposite spins.
Ground State
is a normally filled electron energy state form which
electron excitation may occur.

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 Valence Electrons
is the electrons in the outermost occupied electron shell,
which participate in interatomic bonding.
Electropositive Elements
are capable of giving up their few valence electrons to
become positively charged ions.
Electronegative Elements
are elements situated on the right-hand side of the table
and is readily accept electrons to form negatively charged
ions, or sometimes they share electrons with other atoms.

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Atomic Structure and Interatomic Bonding

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Atomic Structure and Interatomic Bonding

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 The Periodic Table

the arrangement of the chemical elements with
increasing atomic number according to the periodic
variation in electron structure. Nonmetallic elements are
positioned at the far right-hand side of the table.
all elements are classified according to electron
configuration in the periodic table.
elements are situated, with increasing atomic number, in
seven horizontal rows called periods.
arrangement is such that all elements that are arrayed
in a given column or group have similar valence electrons
structures, as well as chemical and physical properties.
These properties change gradually and systematically,
moving horizontally across each period.
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Atomic Structure and Interatomic Bonding

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 In the Periodic Table

Elements in Group 0, are the inert gases, which have
filled electron shells and stable electron configurations.
Group VIIA and VIA elements are one to two electrons
deficient, respectively from having stable structures.
Group VIIA elements are sometimes called the
halogens.
Group IA and IIA, are labeled as alkali and alkaline
earth metals, having respectively, one and two electrons
in excess of stable structures.

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 In the Periodic Table (cont)

Group IIIB through IIB, are termed the transition
metals, which have partially d electron states and in
some cases one or two electrons in the next higher
energy shell.
Group IIIA, IVA and VA display characteristics that
are intermediate between the metals and nonmetals by
virtue of their valence electron structures.

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 Electropositive Elements
are elements that are capable of giving up their few
Valence electrons to become positively charged ions.
Electronegative Elements
are elements that are readily accept electrons to form
negatively charged ions, or sometimes they share
electrons with other atoms.
NOTE
Electronegativity increases in moving from left to right
and from bottom to top.
Atoms are more likely to accept electrons if their outer
shells are almost full, and if they are less shielded from
the nucleus.

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Atomic Bonding in Solids

Bonding Force and Energies
Atomic bonding in solids may be considered in terms
of attractive and repulsive forces and energies.
It is best illustrated by considering the interaction
between two isolated atoms as they brought into close
proximity from an infinite separations.

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Atomic Bonding in Solids

Bonding Force and Energies (Cont)
At large distances, the interactions are negligible;
At near distances, the atoms exert forces on each other.
Types of Forces Between Two Atoms
Attractive Force
Repulsive Force
The magnitude of the force depends on their separation
or distance between them.

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Atomic Bonding in Solids

Net Force Between Two Atoms (FN)
The net force FN between two atoms is the sum of
both attractive and repulsive components.

FN =FA +FR
where: FN the net force between two atoms
FA the attractive force between the atoms
FR the repulsive force between the atoms

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Atomic Bonding in Solids

Net Force Between Two Atoms (FN) (Cont)
Equilibrium exists between two atoms when their
attractive are repulsive force are the same

FA +FR =0
At this instant, the typical r0 between the atoms is 0.3 nm.
where: r0 equilibrium spacing
= 0.3 nm or 3

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Atomic Bonding in Solids

Net Energies Between Two Atoms (EN)
The net energy EN between two atoms is the sum of
both attractive and repulsive components.

EN =EA +ER
where: EN the net energy between two atoms
EA the attractive energy between the atoms
ER the repulsive energy between the atoms

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Atomic Bonding in Solids

Net Energies Between Two Atoms (EN) (Cont)
For atomic systems, the energy is given by

r
N

EN = F dr
r
A

r
R

EN = F dr + F dr
EN =EA +ER
where: r the separation or distance between the atoms

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Atomic Bonding in Solids

Bonding Energy
The energy required to separate two atoms that are
chemically bonded to each other. It may be expressed
on a per atom basis or per mole of atoms.
There are three (3) different types of primary or
chemical bonds that can be found in solids ionic,
covalent, and metallic.
For each bond, it involves the valence electrons and
the nature of bonds depends on the electron structures
of the constituent atoms
It arises from the tendency of the atoms to assume
stable electron structures, like those of the inert gases,
by completely filling the outermost electron shell.
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Atomic Bonding in Solids

Primary Interatomic Bonds
IONIC BONDING
found in compounds that are composed of both
metallic and nonmetallic elements, elements that
are situated at the horizontal extremities of the
periodic table.
a coulombic interatomic bond that exists
between two adjacent and oppositely charged ions.
all atoms acquire stable or inert gas
configurations and, in addition, an electrical
charge; they become ions.

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Atomic Bonding in Solids

Primary Interatomic Bonds
IONIC BONDING
characteristically hard and brittle and,
furthermore, electrically and thermally insulative.
is termed nondirectional, that is, the magnitude
of the bonds is equal in all directions around an
ion.
in order for it to become stable, all positive ions
must have nearest neighbors negatively charged
ions in a three-dimensional scheme, and vice versa.

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Atomic Bonding in Solids

Schematic Representation of Ionic Bonding in Sodium Chloride (NaCl)

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Atomic Bonding in Solids

IONIC BONDING
The attractive bonding forces are coulombic; that is,
positive and negative ions, by virtue of their net
electrical charge, attract one another. For two isolated
ions, the attractive energy EA is a function of the
interatomic distance according to

EA =- A
r

ER = Bn
r

where: A & B constants whose value depends on the

particular ionic system.
n approximately equal to 8
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Atomic Bonding in Solids

IONIC BONDING (Cont)

A=

1 (Z e)(Z e)
1
2

4 O

where: O permittivity of a vacuum

O= 8.854 x 10-12 F/m
e electronic charge
e = 1.602 x 10-19 Coulomb
Z1 and Z2 are the valences of the two ion types
1 eV = 1.602 x 10-19 J

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Atomic Bonding in Solids

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Atomic Bonding in Solids

1. Problem:
(a) How many grams are there in 1 amu of a
material?
(b) Mole is taken in units of gram-mole. How many
atoms are there in a pound-mole of a substance?
Answer:
(a) 1.66 x 10-24 g/amu
(b) 2.73 x 1026 atoms/lb-mol

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Atomic Bonding in Solids

1. Solution:
(a) In order to determine the number of grams in one amu
of material, appropriate manipulation of the amu/atom,
g/mol, and atom/mol relationships is all that is necessary,
as

1
g/mol
1
mol

No. of grams/amu =

1 amu/atom
23
6.023 x 10 atoms

= 1.66 x 10-24 g/amu

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Atomic Bonding in Solids

1. Solution:
(b) Since there are 453.6 g/lbm,

1 lb-mol = 453 g/lbm 6.023 x 1023 atoms/g-mol

= 2.73 x 1026 atoms/lb-mol

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References:
Fundamentals of Materials Science and Engineering

William D. Callister Jr.

Computational Materials Science: An Introduction
J. G. Lee
Molecular Modeling Technique in Materials Sciences
J. R. Hill
Engineering Materials 1 & 2: An Introduction to
Properties, Applications and Design
M. Ashby & D.R.H. Jones

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Aristotle

~The End~
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