CIVE 205

Introduction to Material Science

Spring 2017

Izmir University of Economics

Department of Civil Engineering

Acknowlegement: The slides are modified from Asst.Prof.Dr. Mert Yücel YARDIMCI’s work
 Atomic Structure
Understanding of interatomic bonding is the first step
towards understanding/explaining materials properties
 Review of Atomic Structure
– Electrons, protons, neutrons, quantum mechanics of atoms, electron
states, the periodic table
 Atomic Bonding in Solids
– Bonding energies and forces
 Primary Interatomic Bonding
– Ionic
– Covalent
– Metallic
 Secondary Bonding
– Three types of dipole-dipole bonds
 Molecules and molecular solids
 Atomic Structure
Brief History of the Ideas on the Structure of Matter
• Empedocles (492 b.c. and 432 b.c.): All matter is composed of four
main elements

• Democritus (460 b.c. to 370 b.c.) : Infinitesimally small pieces of

matter called atomos, meaning "indivisible."

• Aristotle and Plato rejected Democritus and supported Empedocles

• Dalton first proposed part of his atomic theory in 1803

 Atomic Structure

John Dalton (1766-1844) found the evidence of those

"hooks“ in his quantitative chemical measurements,
making the foundation of modern atomic theory of matter

The idea that everything is made of distinct

atoms has been a subject of skeptical
discussions as recently as the beginning of
the twentieth century, before Einstein’s
observation of Brownian motion in 1905
and Max von Laue’s observation of the
diffraction of X-rays by crystals in 1912
provided strong support for the atomistic
theory.
Atomic Structure
 Atomic Structure

Atom:
The smallest unit of an element that retains the chemical
properties of the element. Atoms can exist alone or in
combinations with other atoms forming molecules.
Atoms are the smallest structural units of all solids, liquids
& gases.

Element:
One of less than 118 pure chemical substances. An
element is a substance composed of atoms with identical
atomic number.
 Atomic Structure

Molecule:
A particle formed by the chemical bonding of two or
more atoms. The molecule is the smallest particle of a
chemical compound that retains the chemical properties
of the compound.

Compound:
A material formed by the chemical combination of
elements in defined proportions. Compounds can be
chemically decomposed into simpler substances.
 Atomic Structure
Schematic Repsentation of the Structure of Atom
Bohr Atomic Model

In the 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.

Nucleus
(Protons and neutrons)

Orbital electrons
 Atomic Structure

Proton: A sub-atomic particle with a positive charge of 1.60x10-19

coulombs and a mass of 1.672x10-27 kg. Protons are found in
the nucleus of atoms.

Neutron: A sub-atomic particle with no charge and a mass of

1.675x10-27 kg. Neutrons are found in the nucleus of atoms.

Electron: A sub-atomic particle with a negative charge of

1.60×10-19 coulombs and a mass of 9.11×10-31 kg. Electrons
are generally found in orbit around the nucleus of an atom, but
may be gained or lost during ion formation.
 Atomic Structure
Sub-atomic Mass Charge
particle (kg) (Coloumbs)
Nucleus

Proton 1,673 x 10-27 + 1,602 x 10-19

Neutron 1,675 x 10-27 (No charge)
Electron 9,109 x 10-31 - 1,602 x 10-19
Masses:
Protons and Neutrons have the same mass, 1.67 × 10-27 kg.
Mass of an electron is much smaller, 9.11 × 10-31 kg and can be
neglected in calculation of atomic mass.

The atomic mass (A) = mass of protons + mass of neutrons

Neutrons are electrically neutral
 Atomic Structure

 protons gives chemical identification of the element

 protons = atomic number (Z)
 neutrons defines isotope number

Atomic number (Z). For a chemical element, the number of protons

within the atomic nucleus.

For an electrically neutral or complete atom, the atomic number

also equals the number of electrons. This atomic number ranges in
integral units from 1 for hydrogen to 92 for uranium, the highest of
the naturally occurring elements.
 Atomic Structure
The atomic mass unit (amu) is often used to express atomic
weight. 1 amu is defined as 1/12 of the atomic mass of the most
common isotope of carbon atom that has 6 protons (Z=6) and six
neutrons (N=6).

Mproton ≈ Mneutron = 1.66 x 10-24 g = 1 amu

The atomic mass of the 12C atom is 12 amu
The atomic mass (A) of a specific atom may be expressed as the
sum of the masses of protons and neutrons within the nucleus.
Although the number of protons is the same for all atoms of a given
element, the number of neutrons (N) may be variable.

Thus atoms of some elements have two or more different atomic

masses, which are called isotopes
 Atomic Structure
Isotopes of Fe (Atomic number 26)

54 Fe (26p, 28n)
55 Fe (26p, 29n)
56 Fe (26p, 30n)
57 Fe (26p, 31n)
58 Fe (26p, 32n)
 Atomic Structure
The atomic weight of an element = weighted average of the
atomic masses of the atoms naturally occurring isotopes. Atomic
weight of carbon is 12.011 amu
The atomic weight of an element or the molecular weight of a
compound may be specified on the basis of amu per atom
(molecule) or mass per mole of material.
In one mole of a substance there are 6.02 x 1023(Avogadro’s
number) atoms or molecules.
These two atomic weight schemes are related through the
following equation:
1 amu/atom (or molecule) 1 g/mol
Example:
Atomic weight of iron = 55.85 amu/atom = 55.85 g/mol
 Atomic Structure
The number of atoms per cm3, n, for material of density d (g/cm3)
and atomic mass M (g/mol):
n = Nav × d / M
Graphite (carbon): d = 2.3 g/cm3, M = 12 g/mol
n = 6×1023 atoms/mol × 2.3 g/cm3 / 12 g/mol
= 11.5 × 1022 atoms/cm3
Calculate the number of molecules per cm3 for water (H2O) if d=1
g/cm3, M=18 g/mol
For material with n = 6 × 1022 atoms/cm3 we can calculate mean
distance between atoms L = (1/n)1/3 = 0.25 nm.

The scale of atomic structures in solids – a fraction of 1 nm or a few A.

 Atomic Structure
Electrons in Atoms
The electrons form a cloud around the
nucleus, of radius of 0.05 – 2 nm.

Electrons move not in circular orbits,

but in 'fuzzy‘ orbits.
Actually, we cannot tell how it moves,
but only can say what is the
probability of finding it at some
distance from the nucleus.
 Atomic Structure

Only certain “orbits” or shells of electron probability densities

are allowed. The shells are identified by a principal quantum
number n, which can be related to the size of the shell, n = 1 is
the smallest; n = 2, 3 .. are larger.

The second quantum number I, defines subshells within each

shell. Two more quantum numbers characterize states within the
subshells.
 Atomic Structure

Each “orbit” or shell can accommodate only a maximum number of electrons, which is determined by
quantum mechanics. In brief, the most inner K-shell can accommodate only two electrons, called s-
electrons; the next L-shell two s-electrons and six p-electrons; the M-shell can host two s-electrons,
six pelectrons, and ten d-electrons; and so on
Atomic Structure
 Atomic Structure

Subshells by energy: 1s,2s,2p,3s,3p,3d,4s,4p,5s,4d,5p,6s,4f,…

 Atomic Structure

Electrons that occupy the outermost filled shell – the

valence electrons – they are responsible for bonding

These electrons are extremely important; they participate in the

bonding between atoms to form atomic and molecular aggregates.
Furthermore, many of the physical and chemical properties of solids
are based on these valence electrons.
 Atomic Structure

Electron configurations where all states within valence electron

shell are filled are stable → unreactive inert or noble gas.
 Atomic Structure
The Periodic Table

The first accepted periodic table of

elements was published in 1869 by
Mendeleev. In the same year, a
German chemist Lothar Meyer
independently published a very similar
table, but his contribution is generally
ignored.

All elements in the periodic table

have been classified according to
the electron configuration.
Draft of the periodic table, Mendeleev, 1869
The Periodic Table
Atomic Structure
 The Periodic Table
Elements in the same column (Elemental
Group) share similar properties.
Group number indicates the number of
electrons available for bonding.
The elements positioned in Group 0 are the inert
gases, which have filled electron shells and stable
electron configurations.
Group VIIA and VIA elements are one and two
electrons deficient, respectively, from having
stable structures.
The Group VIIA elements (F, Cl, Br, I, and At)
are sometimes termed the halogens.
The alkali and the alkaline earth metals (Li, Na,
K, Be, Mg, Ca, etc.) are labeled as Groups IA and
IIA, having, respectively, one and two electrons
in excess of stable structures.
The elements in the three long periods, Groups
IIIB through IIB, are termed the transition metals,
which have partially filled d electron states and in
some cases one or two electrons in the next
higher energy shell. Groups IIIA, IVA, and VA
(B, Si, Ge, As, etc.) display characteristics that
are intermediate between the metals and
nonmetals by virtue of their valence electron
structures.
 Atomic Structure

Electronegativity
Electropositivity
Atomic Structure
 Atomic Structure
Atoms of the elements having 5, 6, 7 e- in their
outermost shell accept 3, 2, 1 electrons respectively.

Those having 1, 2 or 3 e- give up their outermost shell

electrons to remain with 8 e- in their underlaying shell.

Atoms having 4 valance electrons may behave in

either way.

Valance electrons: The electrons at the outermost

shell.
 Atomic Structure
Using the electronic structures, compare the electronegativities of
calcium and bromine.
SOLUTION
The electronic structures are:
Ca (20):
1s22s22p63s23p6 4s2
Br (35):
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.
 Atomic Bonding

• What promotes bonding?

• What types of bonds are there?
• How does bonding affect material
properties?
• Much of a material’s behavior can be
explained by the phenomena in this chapter