JASHORE UNIVERSITY OF SCIENCE AND TECHNOLOGY (JUST)

IPE- 2203: Engineering Materials II (3 credit hours)

Dr. Md Mahfuzur Rahman

Assistant Professor, Dept. of IPE
2nd Nov, 2020
Atomic structure
&
Bonding

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 Material Structures?
Structure defines the internal conditions of materials
and relates to how a material is put together.

Different forms of structures:

o Macroscopic
o Microscopic
o Atomic
o Electronic or subatomic

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Macroscopic Structure

Structural elements viewed with naked eye

Example:
Flat Nose Plier

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Microscopic Structure
On occasion it is necessary to examine the defects of the
structural elements

Example:

microstructure
of
plier head

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Atomic Structure
Arrangement of atoms in materials

When arranged in 3D space, called crystal structures.

Example:
Crystal structure of the plier head Iron has
a body-centred cubic (BCC) at room temperature

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Electronic or sub-atomic structure

The 2 electrons in the outer shell

are not tightly held. This allows
iron :
 To form metallic bonds with
long range crystal structure, and
 To conduct electricity

Example:
Electronic structure of iron that make the plier head

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Some of the important properties of solid materials
depend on
 geometrical atomic arrangements
 the interactions that exist among the constituent
atoms or molecules

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 Atomic structure
Fundamental Concept
 Atoms are the basic structural unit of all engineering
materials.
It is the basic unit of an element that can undergo
chemical change.
 Each atom consists of a very small nucleus composed of
protons & neutrons which is encircled by moving electrons.

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 Atomic structure

 Atomic number, Z - Number of protons.

Since the electron and proton have equal but opposite electrical charge,
in a neutral atom the atomic number is equal to the number of electrons
(Z~p=e).

 Atomic mass, A - Total mass of proton and neutron in the nucleus

( A=Z+N ).

 Isotope - atoms that have two or more atomic mass. Same number of
proton but different number of neutron.

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IPE 2203: Engineering Materials-II 11
Interatomic Bonding

ISSUES TO ADDRESS...

• What promotes bonding?

• What types of bonds are there?

• What properties are inferred from bonding?

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BOHR EARLY ATOMIC MODEL
orbital electrons:
n = principal
quantum number 1
n=3 2 Adapted from Fig. 2.1,
Callister 6e.

Nucleus: Z = # protons
= 1 for hydrogen to 94 for plutonium
N = # neutrons
Atomic mass A ≈ Z + N

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LIMITATIONS OF BOHR MODEL
Bohr model was eventually found to have some
significant limitations
 because of its inability to explain several
phenomena involving electrons.

Resolved with “wave-mechanical model”

 In this model, electron is considered to exhibit both

 Wave-like and
 Particle-like characteristics.

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STABLE ELECTRON CONFIGURATIONS

• Not possible to determine the exact orbit of an electron.

• But the position is determined by the probability that it

will be found in a given region of atom.

• Probability is mathematically represented by wave

function
• Solution of the wave equation :
 4 quantities known as quantum numbers
 n, l, ml and ms
In wave mechanics,
 every electron in an atom is characterized by
four parameters (quantum numbers)
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STABLE ELECTRON CONFIGURATIONS
• n is the principal quantum number
 related to total energy of electron
• n = 1, 2, 3 etc
• l is the second quantum number
 measure of angular momentum
• l = 0 to (n-1)
• l = 0, 1, 2, 3,4 and 5 ( s, p, d, f, g and h)
• Example: • If :
 n = 1 and l = 0  n = 3 and l = __
 __ level
??
 1s level
 n = 2 and l = 1
 2p level
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STABLE ELECTRON CONFIGURATIONS

Maximum no of electron in each shell

 2n2 , where n is the shell number
• have complete s, p, d subshells
• tend to be unreactive.

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ELECTRON ENERGY STATES
Electrons...
• have discrete energy states
• tend to occupy lowest available energy state

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 SURVEY OF ELEMENTS
• Most elements: Electron configuration not stable.
Electron configuration
1s1
1s2 (stable)
1s22s1
1s22s2
1s22s22p1
1s22s22p2
...
1s22s22p6 (stable)
1s22s22p63s1
1s22s22p63s2
1s22s22p63s23p1
...
1s22s22p63s23p6 (stable)
...
1s22s22p63s23p63d10 4s246 (stable)

• Why? Valence (outer) shell usually not filled completely.

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THE PERIODIC TABLE
• Columns: Similar Valence Structure

Electropositive elements: Electronegative elements:

Readily give up electrons Readily acquire electrons
to become + ions. to become - ions.
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REVIEW OF BONDING
 Atoms form the fundamental building
blocks from which all matter is made.

 The properties of a solid depend on the

types of atoms from which it is made.

 Begin study of materials with a review of

the chemistry and physics of atoms

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BONDING IN SOLIDS
 Chemical bonds between atoms occur when the
valence electrons in the atoms interact with each
other
 The energy is most favorable when each atom can
obtain eight outershell electrons (an octet), which
gives it a noble gas configuration
 Three primary ways atoms achieve an octet in the
outer shell:
 give or take valence electrons (ionic bonding)
 share valence electrons with neighboring atoms
(covalent bonding)
 share valence electrons with all atoms (metallic
bonding)

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IONIC BONDING
• Occurs between +ve and -ve ions.
• Requires electron transfer
• Large difference in electronegativity required.
• Example: NaCl

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EXAMPLES: IONIC BONDING

NaCl
MgO
H He
2.1 CaF2 -
Li Be O F Ne
1.0 1.5 CsCl 3.5 4.0 -
Na Mg Cl Ar
0.9 1.2 3.0 -
K Ca Ti Cr Fe Ni Zn As Br Kr
0.8 1.0 1.5 1.6 1.8 1.8 1.8 2.0 2.8 -
Rb Sr I Xe
0.8 1.0 2.5 -
Cs Ba At Rn
0.7 0.9 2.2 -
Fr Ra
0.7 0.9

Give up electrons Acquire electrons

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 COVALENT BONDING
• Requires shared electrons

• Example: CH4

C: has 4 valence e,
needs 4 more

H: has 1 valence e,
needs 1 more

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 EXAMPLES: COVALENT BONDING

H2O

column IVA
H2 F2
C(diamond)
H He
2.1
SiC - Cl2
Li Be C O F Ne
1.0 1.5 2.5 2.0 4.0 -
Na Mg Si Cl Ar
0.9 1.2 1.8 3.0 -
K Ca Ti Cr Fe Ni Zn Ga Ge As Br Kr
0.8 1.0 1.5 1.6 1.8 1.8 1.8 1.6 1.8 2.0 2.8 -
Rb Sr Sn I Xe
0.8 1.0 1.8 2.5 -
Cs Ba Pb At Rn
0.7 0.9 1.8 2.2 -
Fr Ra
0.7 0.9 GaAs
• Molecules with nonmetals
• Molecules with metals and nonmetals
• Elemental solids (RHS of Periodic Table)
• Compound solids (about column IVA)
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METALLIC BONDING
In metallic structure, the lack of
 oppositely charged ions and
 sufficient valence electrons to form a true covalent bond

• sharing of valence
electrons by more
than two atoms.
• Arises from sea of
donated valence
electrons
(1, 2, or 3 from each
atom).
• Primary bond for
metals and their alloys
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BONDING FORCES & ENERGY
• Interaction between two isolated atoms as brought into
close proximity
• At large distances, the interactions are negligible,
 but as atoms approach, each exerts forces on the other
• two types forces:
 Attractive (FA)
 repulsive (FR)
• The net force
 (FN) = FA + FR
• Magnitude of forces depends on interatomic distance
• A state of equilibrium (zero net force) at spacing r0
• The centers of the two atoms will remain separated
• For many atoms, r0 is approximately 0.3 nm
• Total internal Energy E0 will be minimum
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BONDING FORCES

Dependence of repulsive, attractive, and net forces on

interatomic separation (distance) for two isolated atoms
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BONDING ENERGY

Dependence of repulsive, attractive, and net potential

energies on interatomic separation (distance) for two
isolated atoms
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 SECONDARY BONDING
• Van der Waals (physical) bonds
• Weak in comparison to the primary bonds
• Arises in neutral atoms such Inert gases
dipole is created
• When the atoms are brought close together with distortions of
 separation of centers of positive and electrical
negative charges symmetry of
 a weak attractive force results atoms or
molecules
• Arises from interaction between dipoles

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 BONDING IN MATERIALS
Examples of bonding in materials:
Metals : Metallic
Ceramics : Ionic / covalent
Polymers : Covalent and secondary
Semiconductors : Covalent / covalent and ionic

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PROPERTIES FROM METALLIC BONDING
Atoms joined by metallic bond can shift their relative
positions (without breaking) when the metal is deformed
 permitting metals to have good ductility.

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PROPERTIES FROM METALLIC BONDING
When voltage is applied to a metal,
 electrons in the ‘electron cloud’ can easily move
and carry a current.

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PROPERTIES FROM COVALENT BONDING
• Many ceramics, semiconductors, and polymers are fully
or partially bonded by covalent bonds

• When a silicon rod is bent, the bonds must break if the

silicon atoms are to permanently change their
relationships to one another.

• For an electron to move and carry a current, the

covalent bond must be broken, requiring high
temperatures or voltage.

• Thus covalent materials are brittle rather than ductile,

and behave as electrical insulators instead of conductors

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PROPERTIES FROM IONIC BONDING
• Solids exhibit considerable ionic bonding mechanically
strong because of the strength of the bonds.

• Electrical conductivity of ionically bonded solids is very

limited.

• When voltage is applied to an ionic material, entire ions

must move to cause a current to flow.

• Owing to their size, ions typically do not move as easily

as electrons. Ions move slowly and, thus, the ionic
conductivities of these material are poor

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SUMMARY QUESTIONS
• State the difference between atomic mass and atomic weight.
• Mention the two important quantum-mechanical concepts
associated with the Bohr model of the atom.
• With regard to electron configuration, what do all the elements in
Group IIA of the periodic table have in common?
• Determine whether each of the following electron configurations
is an inert gas, a halogen, an alkali metal, an alkaline earth metal,
or a transition metal.
Justify your choices.
(a) 1s22s22p63s23p5
(b) 1s22s22p63s23p63d74s2
(c) 1s22s22p63s23p63d104s24p6
(d) 1s22s22p63s23p64s1
(e) 1s22s22p63s23p63d104s24p64d55s2
(f) 1s22s22p63s2

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SUMMARY QUESTIONS (Contd)

• Briefly mention the main differences among ionic, covalent, and metallic
bonding.
• What type(s) of bonding would be expected for each of the following
materials:
 solid xenon,
 calcium fluoride (CaF2),
 bronze,
 cadmium telluride (CdTe),
 rubber
 tungsten IPE 2203: Engineering Materials-II 38