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3 basic subatomic particles: Proton, electrons and neutrons
Atomic structure
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"GOD is the ONE who created the night, the day, the
sun, and the moon. Each one is travelling in an orbit
with its own motion" (21:33)
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Atomic structure
What is atom?
Basic structural unit of all engineering materials

Atoms = Nucleus (protons+neutrons) + electrons


Electrons:
Smallest mass (1/1836 of proton) compare to neutrons
(1.675x10
-24
g) and protons (1.673x10
-24
g).

Determine most of the electrical, mechanical, chemical
and thermal properties of the atoms.
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The Qur'an states, "Whoso doeth ill
(Al Sharr) an atom`s weight, will
see it then." (Sura 99:8)
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Foundation of materials science and engineering,William F. Smith,McGrawHill, 2004, pg19-58
The Periodic Table Inert Gas (s
2
p
6
)
Halogen (s
2
p
5
)
Alkali (s
1
)

Alkaline Earth (s
2
)
Transition Metals (incomplete d subshell)
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Atomic Bonding
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Valence Electrons
Valence electrons are the electrons that occupy the
outermost filled shell.
These electrons are extremely important as they
participate in the bonding between atoms to form
atomic and molecular aggregates.
Most of the electrical, mechanical, chemical and
thermal properties of the atoms of solids are based
on these valence electrons.
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Primary Atomic Bonds
1. Ionic Bonding
2. Covalent Bonding
3. Metallic bonding
Types of Bonding
Secondary Atomic Bonds
1. Permanent dipole bonds
2. Fluctuating dipole
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Ionic Bonding
Occurs in compounds that are composed of both metallic
and nonmetallic elements which are in the horizontal
extremities of the periodic table
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Ionic Bonding
Metallic elements transfer the valence electrons to
nonmetallic atoms

To produce ions that are bonded together by coulombic
forces
(attraction of positively and negatively charged ions).
In the process, all the atoms acquire stable or inert gas
configurations.
Ionic bonding is termed strong and nondirectional, i.e. the
magnitude of the bond is equal in all directions around an
ion
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Foundation of materials science and engineering,William F. Smith,McGrawHill, 2004, pg19-58
Examples: NaCl, MgO
The properties of ionic materials are:
i. hard and brittle
ii. electrically and thermally insulative
Ionic Bonding
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Give up electrons Acquire electrons
He
-
Ne
-
A r
-
Kr
-
Xe
-
Rn
-
F
4.0
Cl
3.0
Br
2.8
I
2.5
A t
2.2
Li
1.0
Na
0.9
K
0.8
Rb
0.8
Cs
0.7
Fr
0.7
H
2.1
Be
1.5
Mg
1.2
Ca
1.0
Sr
1.0
Ba
0.9
Ra
0.9
Ti
1.5
Cr
1.6
Fe
1.8
Ni
1.8
Zn
1.8
A s
2.0
C sC l
MgO
C aF
2
N aC l
O
3.5
Ionic Bonding
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Ionic materials are poor electrical conductors
When voltage is applied to an ionic material, the entire ions must
move to cause a current flow.
However, the ion movement is slow and therefore, the electrical
conductivity is poor.
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Metallic Bonding
Occurs in the solid metals and alloys.

In solid state, atoms are packed relatively close
together in a systematic pattern or crystal structure.

The valence electrons of metallic materials are
not bound to any particular atom in the solid and are
more or less free to drift throughout the entire metal.

Valence electrons belong to the metal as a whole,
or forming a sea of electrons.
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Metals have low ionization energies, thus they
do not have a tight hold on their valence electrons.
These outer electrons easily move around, as they
do not "belong" to any one atom, but are part of
the whole metal crystal
Metallic Bonding
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The remaining non-valence electrons and atomic nuclei
form ion cores, which possess a net positive charge
equal in magnitude to the total valence electron charge
per atom.

The metallic bonding is also nondirectional.
Metallic bonding may be strong or weak.
The properties of metallic materials are:
i. Good ductility
ii. Good electrical conductivity
iii.Lustrous
iv.Malleable
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(a) Atomic arrangement in metallic copper crystal. Each copper atom
is coordinated with 12 other copper atoms, producing a crystal
structure called face-centered-cubic.
(b) Two dimensional schematic diagram of metallically bonded atoms.
The circles with the inner positive ion cores, and the charge clouds
around the iron cores represent the dispersed valence electrons.

Foundation of materials science and engineering,William F. Smith,McGrawHill, 2004, pg19-58
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Materials Structure
and Bonding
Crystal Structure of Metals
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SOLIDS
CRYSTALLINE AMORPHOUS
Short-range order (SRO)
of the positions
of the atoms.
Examples:
ceramic - common window glass,
polymers polystyrene & plastic
and food - cotton candy
The constituent atoms,
molecules, or ions are
packed in a regularly
ordered.
Examples:
Metals, alloys, minerals,
sand, clay, limestone,
carbon, and salts (NaCl, KCl)
Long-range order (LRO)
of the positions
of the atoms.
Random orientation of
particles.
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Crystalline Solids
Quartz crystal
Properties:
Relate to orientation and are
dependent on the crystals axes
(anisotropic).
Crystals become liquids at a
specific temperature (melting point)
Crystal
Liquid
Melting
T
m

Volume
Temperature
Single crystals
Poly-crystals
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Amorphous Solids
Wax
Properties:
Identical in all directions along
any axis (isotropic).
A relatively wide temperature
range for the melting point.
Soften gradually when they
are heated.
Amorphous
solid
Liquid
Softening
T
m

Volume
Temperature
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CRYSTALLINE
STRUCTURE
The orderly arrangement
of atoms in three
dimensional space.
Space lattice
-infinite 3D array of
points.
-repeating unit cells
Each point in the space
lattice has identical
surroundings.

Size & shape of unit cell
can be described by 3
lattice vectors (a,b,c).

Lattice constants:
Axial lengths (a,b,c)
Interaxial angles (,,).
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The arrangement of the atoms is called
crystalline structure
Space Lattice Unit cell
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CRYSTAL SYSTEMS
14 standard unit cells
(Bravais)
4 basic types of unit cells:
1. Simple
2. Body-centered
3. Face-centered
4. Base-centered
7 different types of unit cells
(specify the lattice constants):
1. Cubic
2. Tetragonal
3. Orthorhombic
4. Rhombohedral
5. Hexagonal
6. Monoclinic
7. Triclinic
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14 Bravais Conventional Unit Cell
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The Structure of Metal
What is metal?
What makes metals immediately recognizable?
What are the properties of metals that make
them such useful materials?
What simple experiments can be carried out to
distinguish metals from other materials?
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The Structure of Metal
Why are some metals hard and other soft?
Why some metals can withstand high temperatures, while some
others not?

Structure - arrangement of atoms
Influence the behavior and structure
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LIQUID
METAL
SOLIDIFICATION
UNIT CELL
(0.1 nm)
BCC
FCC
HCP
CRYSTALS
Lattice
imperfections
Dislocations
SINGLE
CRYSTALS
POLY-
CRYSTALS
Grain boundaries
Plastic deformation
Anisotropy
Products:
Solid state devices
Turbine blades
Products:
Paper clips, bolts,
springs, aircraft fuselage
Metallic Crystal Structures
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Metallic Crystal Structures
Metals crystallize in the dense-packed
structures because energy is released.
(atoms come close together & bond more
tightly with each other)

Body centered
cubic (BCC)
Face centered
cubic (FCC)
Hexagonal centered
cubic (HCP)
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a=b=c=0.287nm
The cube side of the unit cell of BCC iron at
room temperature is 0.287nm. If unit cells of
pure iron are lined up side by side, in 1mm
there will be:
1mm x 1 unit cell = 3.48 x 10
6
unit cells
0.287nm x 10
-6
mm/nm
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Body centered cubic
(BCC)
Face centered cubic
(FCC)
Hexagonal centered
cubic (HCP)
Metallic Crystal Structure
3 densely packed crystal structures:
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Body Centered Cubic (BCC)
Atomic-site unit
cell
Hard-sphere unit
cell
Isolated unit cell
How many atoms ?
1(at the center)+ 8 x 1/8 = 2 atoms per unit cell
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BCC
Prove the relation between the
lattice constant a and the atomic
radius R..
Prove it!
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Face Centered Cubic (FCC)
Atomic-site unit
cell
Hard-sphere unit
cell
Isolated unit cell
How many atoms ?
6 x + 8 x 1/8 = 4 atoms per unit cell
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FCC
Prove it?
a
2
a
2
2a
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Hexagonal Close-Packed (HCP)
Atomic-site unit
cell
Hard-sphere unit
cell
Isolated unit cell
How many atoms?
6 x + 2 x 6 x 1/6 + 2 x 1/2 = 6 atoms per unit cell
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HCP
The ratio of the height c to its basal a called c/a ratio
Ideal c/a ratio consisting of uniform spheres: 1.633
Atomic-site unit cell Base of Hcp unit cell Triangle ABC removed
from base of unit cell
Problem:
Calculate the volume of the zinc crystal structure unit cell by using the
following data; pure zinc has the Hcp crystal structure with lattice
constants a = 0.2665 nm and c= 0.4947 nm.
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Answers..
1 2 base height Area of triangle ABC =
=
1 2 a asi n60
o
From Fig. c
Total area of Hcp base =
=
6 1 2a
2
si n60
o
3a
2
si n60
o
From Fig. b
Volume of zinc Hcp unit cell =
=
=
3a
2
si n60
o
c
3 0.265nm
2
0.8660 0.4947nm
0.0913nm
3
From Fig. a
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Atom Positions in Cubic Unit Cells
Rectangular x,y,z axes Atom position in BCC unit cell
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Comparison of FCC, HCP & BCC Crystal
Structures.
Crystal Structure BCC FCC
(close packed)
HCP
(close-packed)
Atom position Atoms are
positioned at
each corner of
the cube and one
at the center of
the cube
Atoms are
positioned at each
corner of the cube
and one at the
center of each
cube face
?
Atomic Packing
Factor
=vol
atoms
/vol
unit cell
0.68 0.74 0.74
Examples: Iron, tungsten,
chromium,
molybdenum,
vanadium
Aluminum, copper,
lead, nickel, and
iron (at 912-
1394
o
C)
Cadmium, zinc,
magnesium,
cobalt, zirconium,
titanium, beryllium
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Polymorphism / Allotropy
Elements and
compounds which exist
more than one crystalline
form under different
conditions of temperature
and pressure
Examples: iron, titanium
and cobalt (at elevated
temp. and atmospheric
pressure).

Temperature Crystal
structure
Alpha
iron
-273-912
o
C BCC
Gamma
iron
912-1394
o
C FCC
Delta
iron
1394-1539
o
C FCC
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Materials Structure
and Bonding
Deformation and Strength of
Single Crystal
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Deformation and Strength
of Single Crystal

Elastic
deformation


The lattice structure is shifted, stretched,
and distorted but returns to the materials
original shape when force removed.


Plastic
deformation


Atoms change positions and slip past one
another because the atomic bond is
broken material does not return to
original shape when force removed

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Metallic bonding allows for slip, the basic
mechanism by which metals deform plastically
when subjected to high stresses
The properties of materials are a function of
their:
1. Atomic Structure
2. Bonding Structure
3. Crystal Structure
4. Imperfections
If these various structures are known then the
properties of the material can be determined.
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Crystalline Imperfections
Crystals contain various types of
imperfections and defects that affect their
physical and mechanical properties.
Crystal lattice imperfections are classified
according to their geometry and shape.
Strength of a material also depends on
crystal imperfections, alloying agents, and
impurities.
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May be intentional or unintentional.
May be present because of an added alloy.
Steel is an alloy of Iron (Fe) and Carbon
(C).
Carbon atoms are much smaller than the
iron atoms and appear as interstitial.
Crystalline Imperfections
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Types of Imperfections in the Crystal
Structure
1. Zero dimensional / Point defects
e.g.: vacancy, interstitialcy (atom or impurity)
2. One dimensional / Line defects
e.g.: dislocations
3. Two dimensional / Planar defects
e.g.: grain boundaries, twin boundaries, low
angle boundaries, high angle boundaries, twists,
and stacking faults.
4. Three dimensional macroscopic / Volume or bulk
imperfection
e.g.: voids or inclusion (nonmetallic such as
oxide,sulfide and silicates)
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1. Point Defects
Vacancy
Missing atoms
Produced during solidification as a result of:
local disturbances during crystal growth
Atomic rearrangements in an existing crystal
due to atomic mobility.
Additional vacancies in metals:
Plastic deformation
Rapid cooling from higher temperature to
lower temperature to entrap vacancies
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Defects in a Single-Crystal Lattice
Schematic illustration of types of defects in a single-crystal
lattice: self-interstitial, vacancy, interstitial, and substitutional.
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Self-Interstitial
Extra" atoms positioned between atomic sites.

Impurities
A foreign atom that has replaced an atom of the pure
metal.


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2. Line defects
Dislocations
Rows of unit cells that become shifted and upset the
orderly arrangement.
Types of dislocations:
Edge
Screw
Mixed
All crystalline materials contain dislocations introduced during:
Solidification
Plastic deformation
As a consequence of thermal stresses resulting from
rapid cooling.


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Types of dislocations in a single crystal: (a) edge dislocation; and (b)
screw dislocation.
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Movement of an Edge Dislocation
Movement of an edge dislocation across the crystal
lattice under a shear stress. Dislocations help explain
why the actual strength of metals is much lower than
that predicted by theory.
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Dislocations cause slip between crystal plane
when they move. They produce permanent
(plastic) deformation.
(a) Plastic deformation of a single crystal under a tensile load.
Note that the slip planes tend to align themselves in the
direction of the pulling force. This behavior can be simulated
using a deck of cards with a rubber band around them.
(b) Twinning in a single crystal in tension.
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Slip and Twinning
Plastic deformation of a single crystal subjected to a shear stress: (a)
structure before deformation; and (b) permanent deformation by slip. The
size of the b/a ratio influences the magnitude of the shear stress required to
cause slip.

Elastic deformation


Plastic deformation

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Slip Lines and Slip Bands
Schematic illustration of slip lines
and slip bands in a single crystal
(grain) subjected to a shear
stress.

A slip band consists of a number
of slip planes. The crystal at the
center of the upper illustration is
an individual grain surrounded
by other grains.
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3. Planar Defects
Boundaries having two dimensions and separate regions of
materials having different crystal structure and/or
crystallographic orientations.
Twin boundaries
Occur when two crystals of the same type intergrow, so that
only a slight misorientation exists between them.
Twin results from atomic displacements produced from
mechanical shear force (mechanical twin, found in BCC &
HCP) or annealing heat treatment (annealing twin, found in
FCC).
Responsible for many of the changes that occur in cold work of
metals with limited slip systems or at very low temperatures.
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Twin plane or boundary and the adjacent atom positions.
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Atoms on one side of a plane (called the twinning plane)
are shifted to form a mirror image of the other side
Twinning, involving the formation of an atomic mirror image
(i.e., a "twin") on the opposite side of the twinning plane:
(a) before, and (b) after twinning
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Stacking Faults
Found in FCC when there is an interruption
in the ABC ABC stacking sequence of
closed-packed planes.
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4. Volume Defects
Form when a cluster of point defects join to form
a 3D void or pore.
Introduced during processing and fabrication
steps.

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Summary
Deformation may be elastic or plastic.

Elastic Deformation - lattice structure is
distorted but reorients.

Plastic Deformation occurs by slip along
lattice where atomic bonds are broken.
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DISLOCATION
A way of explaining two key observations about the plastic deformation
of crystalline material:
i. The stress required to plastically deform a crystal is much less
than the stress one calculates from considering a defect-free crystal
structure
ii. Materials work-harden: when a material has been plastically
deformed it subsequently requires a greater stress to deform further
A dislocation in a 2D close-packed plane can be described as an extra
'half-row' of atoms in the structure.
ADDITIONAL NOTES
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SLIP & DISLOCATION
Explain how plastic deformation of materials occurs through the
mechanism of slip.
Slip involves dislocation glide on particular slip planes

Slip occurs when the shear stress acting in the slip direction on the slip
plane reaches some critical value.
This critical shear stress is related to the stress required to move
dislocations across the slip plane.

When a single crystal is deformed under a tensile stress, it is observed
that plastic deformation occurs by slip on well-defined parallel crystal
planes. Sections of the crystal slide relative to one another, changing the
geometry of the sample as shown in the diagram.

The tensile yield stress of a material is the applied stress required to
start plastic deformation of the material under a tensile load.
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Thank You