SCHOOL OF ENGINEERING

DEPARTMENT OF INDUSTRIAL & MECHANICAL ENGINEERING FALL 2023-2024

MATERIAL PROPERTIES
Chapter 2: Atomic structure and interatomic bonding

ZEINA EL CHLOUK
PhD in Mechanical Engineering, American University of Beirut

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Atomic Structure and Interatomic Bonding

Important Properties of Solid materials depend on:

 Geometrical atomic arrangements
 Interactions that exist between constituent atoms /molecules

Example: Carbon

 Graphite : soft, …
 Diamond: Hard,…

Diamond Graphite

Same material with different properties

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 Issues to Address...

• What types of bonds are there?

• What properties are inferred/concluded from bonding?

• What promotes/encourages bonding?

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 Atomic Structure : Atom

Consists of
Mass Charge
Electrons 9.11 x 10-31 kg -1.60x 10-19 C
Protons 1.67 x 10-27 kg +1.60x 10-19 C
Neutrons 1.67 x 10-27 kg 0

Characterized by
Atomic number (Z)= # of protons in nucleus of atom
Atomic mass (A)= masses of protons + masses of neutrons

Isotopes of an element:
Elements that have the same # of protons but different # of neutrons
Example: 12C , 13C
Atomic Weight : is the weighted average of the atomic masses of the
atom’s isotopes (exact weight x % abundance of isotopes)

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 Atomic Structure : Atom
Units:
amu : atomic mass unit (used to compute atomic weight)
1 amu = 1/12 the atomic mass of 12C

mass of a proton  mass of a neutron  1 amu

N : number of neutrons

The atomic mass  A  Z  N amu

Mole:
1 amu/atom (or molecule) = 1g/mol
1 mole = 6.023 × 1023 atoms (Avogadro’s number)

Example: the atomic weight of 26Fe is:

55.85 amu/atom or 55.85 g/mol
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 Atomic Structure : Electrons
Electrons have wavelike and particulate properties.
– Bohr atomic model :
• Electrons revolve around the atomic
nucleus in discrete orbitals
• The position of an electron is well
defined in terms of its orbital
• The energy states/levels do not
vary continuously (quantized)

Bohr ‘s atomic
model

Energy states

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 Atomic Structure : Electrons
Electrons change energy by jumping to a higher energy level
(absorb energy) or lower energy level (emit energy).
– Wave – mechanical model :
• Position of an electron is considered to be the probability of being at various
locations around the nucleus (Electron with wavelike & particle-like behavior)

Not very
accurate

Bohr

Wave mechanical
Wave mechanical
Bohr

More Energy states

accurate

Electron distribution
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 Atomic Structure : Electrons
Quantum Numbers: (Electron characterization)
– Every electron in an atom is quantified by 4 quantum numbers
 n = principal quantum number. It dictates the shell’s energy level. Relates
to the distance of an electron from the nucleus.
It is designated by 1,2,3,…. Or K, L, M, N, O,….
 l = the subshell. It is related to the shape of the electron
subshell. It is designated by s, p, d and f.
 ml = It determines the number of energy states for each subshell
if an external magnetic field is present.
It is designated by 1, 3, 5 and 7
ms = It is associated with the electron’s spin (orientation: up or down)
It is designated by -1/2 and +1/2

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 Electron Energy States
Energy level diagram:

• The smaller the principal quantum

number, the lower the energy level
Ex: Energy 3s > Energy 2s > Energy 1s

• Within each shell, the energy of a

subshell increases with the value of
the l quantum number
Ex: Energy 3d > Energy 3p > Energy 3s

• Overlap in energy of a state in one

shell with states in an adjacent shell.
Ex: Energy 3d > Energy 4s Relative energies of the electrons for
the various shell and subshells

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 Electron Energy States
Pauli exclusion principle:
• Each electron state can hold no more than two
electrons which must have opposite spins

• The electrons fill up the energy states in increasing

order starting from the lowest energy state.

n , shell l Num. of
ml
designation Subshells electrons
1,K s 1 2
Energy states for Na (sodium)
2,L s, p 1, 3 2+6=8
3,M s, p, d 1, 3, 5 2+6+10=18
4,N s, p, d, f 1, 3, 5, 7 2+6+10+14=32

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 Example: Electron configurations

4d
4p N-shell n = 4

3d
Hydrogen H, atomic number = 1
4s
Conventional notation

Energy
3p M-shell n = 3
1s1 3s

2p L-shell n = 2
2s

1s K-shell n = 1

Energy states for H (Hydrogen)

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 Example: Electron configurations

4d
4p N-shell n = 4

3d
Iron Fe, atomic number = 26
4s
Conventional notation

Energy
3p M-shell n = 3
1s2 2s2 2p6 3s2 3p6 4s2 3d6 3s

2p L-shell n = 2
2s

1s K-shell n = 1

Energy states for Fe (Iron)

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 Example: Electron configurations

4d
4p N-shell n = 4

3d
Selenium Se, atomic number = 34
4s
Conventional notation

Energy
3p M-shell n = 3
1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p4 3s

2p L-shell n = 2
2s

1s K-shell n = 1

Energy states for Se (Selenium)

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 Electron Configurations

Valence electrons: Those that occupy the outermost shell

– Filled shells more stable
– Valence electrons are most available for bonding and tend to control the
chemical properties
– The fewer valence electrons an atom holds, the less stable it becomes and
the more likely it is to react.
– The more full the valence shell is with valence electrons, the more inert an
atom is and the less likely it is to chemically react with other elements

Example:
H (atomic number = 1) 1s1
C (atomic number = 6) 1s2 2s2 2p2
Se (atomic number = 34) 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p4

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 Electron Configurations
Stable electron configurations:
– This corresponds to the occupation of the s and p states, by a total of 8
electrons as in Neon (Ne), Argon (Ar) and Krypton (Kr). Helium (He) is an
exception which contains only two 1s electrons.

– These elements are inert, or noble gases which are unreactive chemically.

– Some atoms with valence electrons assume stable electron configuration by

gaining or losing electrons to form charged ions

Example:
He (atomic number = 2) 1s2
Ne (atomic number = 10) 1s2 2s2 2p6
Ar (atomic number = 18) 1s2 2s2 2p6 3s2 3p6
Kr (atomic number = 36) 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6

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 Survey of Elements
Most elements: Electron configuration not stable
Element Atomic # Electron configuration
Hydrogen 1 1s1
Helium 2 1s2 (stable)
Lithium 3 1s2 2s1
Beryllium 4 1s2 2s2
Boron 5 1s2 2s2 2p1
Carbon 6 1s2 2s2 2p2
... …
Neon 10 1s2 2s2 2p6 (stable)
Sodium 11 1s2 2s2 2p6 3s1
Magnesium 12 1s2 2s2 2p6 3s2
Aluminum 13 1s2 2s2 2p6 3s2 3p1
... …
Argon 18 1s2 2s2 2p6 3s2 3p6 (stable)
... ... …
Krypton 36 1s2 2s2 2p6 3s2 3p6 3d10 4s 2 4p6 (stable)

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 The Periodic Table
Alkali – give up 1e
Alkaline – give up 2e

Halogens – accept 1e
Inert gases
Accept 2e
Columns: Similar Valence Structure
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 The Periodic Table

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 The Periodic Table
Large electronegativity values:
Tendency to acquire electrons
Ranges from 0.7 to 4.0

Atoms are more likely to accept electrons if :

– Their outer shell are almost full
– Less shielded from the nucleus

Electropositive elements: Electronegative elements:

Readily give up electrons Readily acquire electrons
to become + ions. to become - ions.

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CHAPTER 2: ATOMIC STRUCTURE AND
INTERATOMIC BONDING

ATOMIC BONDING IN SOLIDS

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 Topics To Address

• Bonding forces and energies

• Primary interatomic bonding

– Ionic bonding
– Covalent bonding
– Metallic bonding

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 Bonding forces
Interatomic forces: a two-atom system
– Types: attractive (FA) and repulsive (FR)
– Magnitude: is function of the separation distance r

FA : Its origin depends on the particular type of bonding

FR : Its origin depends on the interaction between the outer electron shells

The net force

Negligible
FN = FA + FR interaction

State of Equilibrium Equilibrium

spacing

FN = FA + FR = 0
Force versus separation
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 Bonding energies
Force – Energy relation: In atomic systems: r

– Net energy EN   FN dr
 E   F dr F : Force 
r
E : Energy – Attractive Energy E A   FA dr

– Repulsive Energy r
E R   FR dr

State of Equilibrium
EN is minimum = E0

In solid materials:
– An E0 is associated with each atom
(more complex forces between
multiple atoms)
– Some material properties depend on
E0, the curve shape and bonding type
Ex: Typically, materials with large E0,
have high melting temperature
Energy versus separation
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 Ionic bonding
Ionic bond: metal + nonmetal
Found in compounds that are composed
of both metallic and nonmetallic elements donates accepts
electrons electrons

Different electronegativities :
Ex: MgO Mg 1s2 2s2 2p6 3s2 O 1s2 2s2 2p4
[Ne] 3s2

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

[Ne] [Ne]

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 Ionic bonding
– Occurs between + and - ions
– Requires electron transfer
– Found in compounds composed of metallic and nonmetallic elements
– Large difference in electronegativity required
– Example: NaCl
Na 1s2 2s2 2p6 3s1 Cl 1s2 2s2 2p6 3s2 3p5
Na+ 1s2 2s2 2p6 Cl- 1s2 2s2 2p6 3s2 3p6
FA is coulombic, positive and negative ions attract one another

Na (metal) Cl (nonmetal)
unstable unstable
electron

Na (cation)
stable + Coulombic - Cl (anion)
stable
Ionic bonding in NaCl Attraction
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 Ionic bonding
The minimum Energy is the most stable
Minimum : Energy balance of attractive and repulsive terms
A
EA   A, B and n≈8
Bonding A B
r EN  E A  ER    n
Energy r r are constants
B
ER  n
r
Z1 , Z2 : charge of the ions
1
A Z 1e Z 2 e  e : the electronic charge = 1.602 × 10-19 C
4  0
ε0 : the permittivity of a vacuum = 8.85 × 10-12 F/m

– Ionic bonding is nondirectional: the magnitude of the bond is equal in

all directions around an ion.
– Bonding energies range between 600 and 1500 Kj/mol
– Bonding energies are large large melting temperature
– Ionic materials are hard and brittle.
– Ionic materials are electrically and thermally insulative.
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 Examples: Ionic Bonding
Predominant bonding in Ceramics
NaCl
MgO
CaF 2
CsCl

Give up electrons Acquire electrons

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 Covalent Bonding
Similar electronegativity : share electrons
Shared electrons considered to belong to both atoms
Bonds determined by valence – s & p orbitals dominate bonding

• Example: CH4
shared electrons
H from carbon atom
C: has 4 valence e-, CH4
needs 4 more

H: has 1 valence e-, H C H

needs 1 more
shared electrons
from hydrogen atoms
H

Electronegativities are comparable.

C = 2.5 and H = 2.1

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 Covalent Bonding
Covalent bond :
– Directional: it exists only in the direction of one atom and another
– Found in elemental solids, ex: diamond, silicon and germanium

Ionic – Covalent:
– Most interatomic bonds are partially ionic and partially covalent
– The more the difference in electronegativity the more ionic the bond
– The smaller the difference in electronegativity the greater the degree of covalence
– The % ionic character of a bond between element A and B is:


% ic  1  e 0.25( X A  X B ) 100
2

XA and XB are the electronegativities for A and B.
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 Covalent Bonding
Ionic – Covalent: Example MgO

Electronegativities:
Magnesium Mg: XMg = 1.2
Oxygen O: XO = 3.5

– The % ionic character of a bond between element Mg and O is:

% ic  1  e  0.25(3.51.2) 2
100  73.4% ionic

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 Metallic Bonding
– Metallic material have one, two or three valence
electrons

– The valence electrons drift throughout the entire

metal “sea of electrons”, and belong to the metal as
a whole. The valence electrons act as a glue to hold
the ion cores together

– The remaining non-valence electrons and atomic

nuclei form the ion cores.
– This bond is non-directional

– Bonding energies vary from 68 Kj/mol (mercury) to

Metallic Bonding
850 kj/mol (tungsten).

– Metal are good conductors of electricity and heat as

a consequence of the “sea of electrons”
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 Problems
2.1 – Cite the difference between atomic mass and atomic weight

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 Problems
2.3 – a – How many grams are there in one amu of materials.

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 Problems
2.3 – b – Mole, in the context of this book, is taken in units of gram-mole.
On this basis, how many atoms are there in a pound-mole of a substance

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CHAPTER 2: ATOMIC STRUCTURE AND
INTERATOMIC BONDING
SECONDARY BONDING IN SOLIDS

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 Topics To Address

– Secondary interatomic (Van Der Waals) bonding :

• Fluctuating Induced Dipole Bonds

• Polar molecule-induced Dipole Bonds
• Permanent Dipole Bonds

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 Secondary Bonding
– Weak compared to primary bonding
– Bonding energies are of the order of 10 kj/mol
– Found in inert gases (stable electron structures)
– Found in molecules that are covalently bonded
– Arises from interaction between dipoles
– Primary (formation of molecules)
– Secondary (attraction between molecules)

Dipoles exist whenever there is a separation

between the positive and negative part of an atom

Bonding results from the coulombic attraction between the positive

end of one dipole and the negative end of an adjacent one
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 Secondary Bonding
• Fluctuating induced dipole bonds
Electronically symmetric
–A dipole is created in an electronically symmetric atom

distortion
or molecule due to constant vibrational motion

–This dipole produces a displacement of the electron

distribution of an adjacent atom or molecule, inducing the
second to become a weakly attracted dipole to the first.

–The attractive forces created are temporary and

fluctuate.
Electric dipole
– Melting and boiling temperatures are extremely low in
materials for which induced dipole bonding predominates
asymmetric electron ex: liquid H2
clouds H2 H2

+ - + - H H H H
secondary secondary
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 Secondary Bonding

• Polar Molecule – Induced Dipole Bonds

– It exists by virtue of an asymmetrical arrangement of
the positive and negative regions in some molecules
(polar molecules)

– Polar molecules can induce dipoles in adjacent non

polar molecules → dipole bonds

– Magnitude is greater than the fluctuating dipole bonds

–Special case -> Hydrogen bond: The strongest

secondary bonding type, occurs when H is covalently
bonded to Fluorine, Nitrogen and Oxygen (HF – H2O –
HN)

general case: + - secondary + -

bonding
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 Secondary Bonding
• Permanent Dipole Bonds
– It exists between two adjacent polar molecules

–Magnitude is greater than the molecule – induced

dipole bonds (Energy up to 51 Kj/mol)

Ex: HF H F secondary H F
bonding

Ex: liquid HCl H Cl secondary H Cl

bonding

Ex: polymer

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 Summary: Bonding
Type Bond Energy Comments

Ionic Large Nondirectional (ceramics)

Variable Directional
Covalent Diamond – large (semiconductors, ceramics
Bismuth (Bi)– small polymer chains)

Variable
Metallic Tungsten – large Nondirectional (metals)
Mercury – small

Directional
Secondary Smallest Inter – chain (polymer)
Inter-molecular

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 Summary

Large bond energy

Ceramics (Ionic &
large Tm
covalent bonding)
large E

Variable bond energy

Metals (Metallic
moderate Tm
bonding)
moderate E

Directional Properties Secondary bonding

Polymers (Covalent & dominates
Secondary) small Tm
small E

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 Problems
2.7 – Give the electron configurations for the following ions:
Fe2+ , Fe3+ , Cu+ , Ba2+ , Br- and S2-

• Iron Z= 26

• Copper Z= 29

• Barium Z= 56

• Bromine Z= 35

• Sulfur Z= 16

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 Problems
2.7 –

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 Problems
2.11 – Without consulting Figure 2.6 or Table 2.2, determine whether
each of the electron configurations given below is an inert gas, a halogen,
an alkali, an alkaline earth metal, or a transition metal. Justify your
choices.

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 Problems
2.11 –

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 Problems
2.13 – Calculate the force of attraction between a Ca2+ and an O2- ion the
centers of which are separated by a distance of 1.25 nm.

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 Problems
2.13 –

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 Problems
2.17 – The net potential energy En between two adjacent ions is sometimes
represented by the following expression
r

C
EN    D e 
r
in which r is the inter-ionic separation and C, D and ρ are constants whose values
depend on the specific material.

a- Derive an expression for the bonding energy E0 in terms of the equilibrium

inter-ionic separation r0 and the constants C and ρ using the following
procedure.
1. Differentiate EN with respect to r and set the resulting
expression equal to zero.
2. Solve for C in terms of D, ρ and r0.
3. Determine the expression for E0 by substituting for C in
the energy equation

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 Problems
2.17 –

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 Problems
2.17 –

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 Problems
2.17 –
b- Derive another expression for E0 in terms of r0 and the constants C and ρ
using a procedure analogous to the one outlined in part (a).

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 Problems
2.17 –
b-

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 Problems
2.19 – Compute the percentage ionic character of the inter-atomic bond
for each of the following compounds: MgO, GaP, CsF, CdS and FeO

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 Problems
2.19 –

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 Problems
2.19 –

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 END OF CHAPTER 2

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