MMS - KTU - Module 1
MMS - KTU - Module 1
MMS - KTU - Module 1
MODULE 1
Prepared by – Philip Jacob Perakathu, SCE
Atomic Structure
2
Fundamental concepts
Atom – is the basic unit of a chemical structure.
It consists of
Nucleus, composed of protons and neutrons.
Electrons.
Atomic models
Bohr atomic model
Electrons revolve around the nucleus in discrete orbitals.
Each orbit or quantum state represents discrete level of
energy.
Electrons are permitted to have only specific values of
energy.
Electron may change energy, can jump to,
Higher energy (absorption of energy)
Lower energy (emission of energy)
Electrons occupy discrete energy levels within the atom.
Adjacent energy levels/states are separated by finite
energies. Prepared by - Philip Jacob Perakathu
Cont…
7
Atomic models
Wave mechanical model
Electrons are not treated as a particle moving in a discrete
orbital
Position is considered to be the probability of an electron
being at various location around the nucleus.
Quantum Numbers
Theenergy level to which each electrons belongs is
determined by four quantum numbers.
Principal quantum number (n):
Refers the quantum shell to which the electron belongs.
The shell for n=1 is designated as K, for n=2 is L, for n=3 is M
and so on.
Azimuthal quantum number (l):
Signifies the subshell.
It is related to the shape of the electron subshell
Varies from 0 to (n-1)
When n=2, l=(0,1).
s for l=0, p for l=1, d for l=2, f for l=3
Prepared by - Philip Jacob Perakathu
Cont…
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Valence
The valence of an atom is the number of electrons in an
atom that participate in bonding or chemical reaction.
It is related to the ability of atom to enter into chemical
combination with other elements.
E.g
Mg: 1s2 2s2 2p6 3s2
Al: 1s2 2s2 2p6 3s2 3p1
Ionic bond
Found in compounds that are composed of metallic and
non-metallic elements.
Atoms of a metallic element easily give up their valence
electrons (cations) to the non-metallic atoms (anions), to
acquire stable or inert gas configuration.
For e.g. NaCl, Magnesia (MgO), Alumina (Al2O3),
Cement
Non-directional i.e the magnitude of the bond is equal
in all direction.
For the material to be stable, all the ions should
participate in forming the bond.
Prepared by - Philip Jacob Perakathu
Cont…
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Crystalline in nature.
Brittle.
Covalent bond
Also known as Molecular bonding
Elements from the central group from the periodic table
are not readily reduced to closed shell electronic
configuration.
When atoms are held together by sharing the electrons
in the outer shell to achieve stable electron
configuration, the bonding is said to be covalent
bonding.
The shared electron(s) considered to belong to both
atoms.
Non-crystalline.
High strength.
Metallic bond
Type of bonding found in metals and alloys.
Metallic materials have one, two or at the most three
valence electrons.
These electrons detach themselves from their nuclei.
These ‘free electrons’ are called electron cloud/sea of
electrons.
The positive ions are called ion cores.
Electrostatic attraction between these two forms a bond,
called the metallic bond.
The electron cloud act as a shield for the ion cores
against repulsive electrostatic force.
Prepared by - Philip Jacob Perakathu
Cont…
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Bright luster.
Non-directional.
Good conductors.
Crystalline in nature.
High strength.
Good ductility.
Examples - All metals and alloys like Cu, Al, Au, Ag etc
Secondary bonds
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Directional in nature.
FN = FA + FR
(Net force = Attractive force + Repulsive force)
FA + FR = 0 (at equilibrium)
E = ∫ F dr
EN = ∫r∞ FA dr + ∫r∞ FR dr (for atomic systems)
= EA + ER i.e. (-A/r + B/rn)
r0 – Bond length
E0 – Bond energy
Crystalline
Periodic arrangement of atoms.
Definite repetitive pattern.
Non-crystalline/Amorphous
Random arrangement of atoms.
Short range order.
Liquid Crystals
Short and Long range order in small volumes
Liquid crystals polymers behave like
Amorphous in liquid state
Crystalline, when an external stimuli is provided.
Basis
Arrangement of atoms within a unit cell.
Atomic Hard Sphere Model is considered.
Crystal structure = Lattice + Basis
Lattice Parameters
Length
Denoted as a, b and c
Describes the dimensions of a unit cell.
Expressed in (nm) or (Å).
Orientation
The angles between the lengths
Denoted as α, β and ɣ.
Hexagonal Close-Packed
The top and bottom faces of the unit cell consist of six atoms that
form regular hexagons and surround a single atom in the center.
Another plane that provides three additional atoms to the unit cell
is situated between the top and bottom planes.
Lattice Parameters
a = b≠ c (a and c – short and long unit cell dimension)
Angles
α = β = 90°, ɣ = 120°
Number of atoms per unit cell
n=6
Co-ordination number
12
Atomic Packing Factor
APF = 0.74
Prepared by - Philip Jacob Perakathu
58 Prepared by - Philip Jacob Perakathu
Atoms Co-ordination
Structure a versus r APF Examples
per cell number
2r
Hexagonal Close-
6 12 0.74 Ti, Mg, Zn, Co etc
Packed (HCP)
c = 1.633a
a = b≠ c
Hexogonal α = β = 90°, ɣ = 0.866a2c Simple Hexogonal Zn, Mg, La, Cd etc
120°
Solve:
Copper has FCC crystal structure. Determine its density
if the atomic weight is 63.54 and atomic radius is 1.27
Å.
Calculate the number of atoms per unit cell of a metal
having lattice parameter 2.88 Å and a density of 7.87
gm/cm3. Atomic weight = 55.85
A metal having cubic structure has a density of 2.6
gm/cm3, atomic weight = 87.62 gm/mol and a lattice
parameter of 6.0849 Å. One atom is associated with
each lattice point. Determine the crystal structure.
Prepared by - Philip Jacob Perakathu
Polymorphism and Allotropy
64
Anisotropic behavior
The physical properties of single crystals of some
substances depend on the crystallographic direction in
which measurements are taken.
For example, the elastic modulus, electrical conductivity,
and the index of refraction may have different values
in the [100] and [111] directions.
The directionality of the properties is termed anisotropy
and is associated with the atomic spacing.
Isotropic behavior
Ifmeasured properties are independent of the
direction of measurement then they are isotropic.
For many polycrystalline materials, the crystallographic
orientations of the individual grains are totally random.
So, though, a specific grain may be anisotropic, when
the specimen is composed of many grains, the
aggregate behavior may be isotropic.
Anelastic behavior
When a material undergoes elastic deformation, the
elastic strain disappears as the load is removed.
In some materials, depending upon metal and
temperature, the plastic strain will disappear with time.
This time dependent elastic behavior is called anelastic.
Viscoelastic behavior
Property of material that exhibit both viscous and
elastic characteristics when undergoing deformation.
Such materials have elements of both of these
properties and exhibit time dependent strain.
Close-packed crystal structure
85
Elastic deformation
The displacement of atoms is by relatively small amounts, the
removal of the applied load allows the atoms to return to their
normal equilibrium position.
Elastic deformation is reversible.
Plastic deformation
Yielding involves the possibility that some of the atoms, under
distortion produced by the applied load, move to a new
equilibrium position.
New bonds are formed in the new positions, so no tendency for
atoms to return to their original positions.
Deformation is permanent.
There are two common mechanism of plastic deformation
Slip
Twinning. Prepared by - Philip Jacob Perakathu
Cont…
91
Types of loads
Tensile loads
Forcesapplied normal to the sample surface
Elongation –positive linear strain
Slip
Slip occurs most readily in specific directions on certain
crystallographic planes.
The plane on which slip occurs is known as slip plane and the
direction in which slip takes place is known as slip direction.
The combination of slip plane and slip direction is known as
slip system.
Generally slip plane is the plane of greatest atomic density
and the slip direction is the closed packed direction within
the slip plane.
Slip occurs on the most densely packed crystallographic
planes and, in those planes, along directions having the
greatest atomic packing.
Schmid’s Law
Schmid's law defines the relationship between shear
stress, the applied stress, and the orientation of the slip
system.
It is an equation for finding the stress in the slip plane
given an axial force and the angle of the slip plane.
Schmid's law can help to explain the differences in
behavior of different metals when subjected to a
unidirectional force.
Twinning
In certain metals when shear stress is applied, planes of
atoms in the lattice move parallel to a specific plane so that
the lattice is divided into two symmetrical parts which are
differently oriented.
This phenomenon is known as twinning and the planes
parallel to which atomic movement has taken place are know
as twinning planes
The differently oriented region within the crystal and
between the twinning planes is know as twinned region.
The amount of movement of each plane of atoms in the
twinned region is proportional to its distance from the
twinning plane, so that the mirror image is formed across the
twin plane. Prepared by - Philip Jacob Perakathu
Cont…
107
http://www.doitpoms.ac.uk/tlplib/superelasticity/twinning.php
SLIP TWINNING
Atoms move a whole number of inter Atoms movement is fractional amounts.
atomic distance.
Steps are visible on surface Polishing will not destroy the evidence of
twining-due to difference in lattice
Steps can be removed by polishing-no orientation
evidence of slip