Chapter 1 2 Atomic Bonding Structure of Crystalline Solids

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Chapter 1-2 Atomic Bonding Structure of Crystalline Solids
Introduction to Material Science Engineering (PETRONAS University of Technology)
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Introduction To Material Science
Course Timetable for September 2019
UTP-IMS_Sept 2019© Downloaded by John Gerald Odhiambo (geraldjo@jkuat.ac.ke)

11 September 2019 Page 1
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Course Outcomes (CO)
At the end of the course, the students should be able to:
Explain the microstructure-property relationship of

1
various materials based on their crystalline
structures and defects present.
Analyse the processes of diffusion, dislocation,

2 phase diagrams and phase transformation of
materials in relations to their materials'
mechanical properties.

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Mechanical Engineering Programme Outcomes (PO)

Mechanical Engineering Programme Outcomes (PO)
PO Apply knowledge of mathematics, science, engineering fundamentals and specialized
1 engineering in solving complex engineering problems.
PO Identify research literature, investigate, analyze, evaluate and formulate solutions to complex
2 Mechanical Engineering problems reaching substantiated conclusion using first principles of
mathematics, natural sciences and engineering sciences.
PO 3 Undertake holistic design and development of complex Mechanical Engineering problems and design systems,
components or processes that meet specified needs with appropriate consideration for public health and safety,
cultural, societal, and environmental considerations.
PO 4 Perform investigation into complex Mechanical Engineering using research based knowledge including design of
experiments, analysis and interpretation of data, and synthesis of information to provide valid conclusions.
PO 5 Create, select and apply appropriate techniques, resources, and modern engineering and IT tools, including prediction
and modeling, to complex engineering activities, with an understanding of the limitations.
PO 6 Apply reasoning informed by contextual knowledge to assess societal, health, safety, legal and cultural issues and the
consequent responsibilities relevant to professional engineering practice.
PO 7 Understand the impact of professional engineering solutions in societal and environmental contexts and demonstrate
knowledge of and need for sustainable development.
P0 8 Internalize and practice professional ethical principles with commitment to norms of engineering practices.
PO 9 Communicate effectively on complex engineering activities with the engineering community and with society at large.
PO10 Function effectively in multi-disciplinary engineering as an individual and in a group with the capacity to be a leader.
PO11 Recognize the need to undertake life-long learning and possess the capacity to adapt to technological changes.
PO12 Demonstrate knowledge and understanding in project management, business acumen and entrepreneurship in
multidisciplinary environments.

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Mapping of CO-PO

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September 2019 Course Plan
Course Code & Name MEB1012 Introduction to Material Science

Lecturers Dr Norlin Nosbi / Assoc. Prof. Dr. Othman Mamat
Coursework - 50% (Quizzes, Tests, Assignments)
Assessment
Final Exam - 50%
By the end of the course, the students should be able to:
(Course Learning 1.Explain the microstructure-property relationship of various materials based

Outcomes, CLO) on their crystalline structures and defects present.
2.Analyse the processes of diffusion, dislocation, phase diagrams and phase
transformation of materials in relations to their materials' mechanical
properties.
This course provides the fundamentals in understanding the structure-

property relationship of materials which is relevant to all engineering
disciplines. The knowledge is crucial in order to be able to select the correct
Course Sinopsis
material for a specific application, to understand the deterioration of material
properties during service operation and to create new materials with
desirable properties.

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Course Plan for MEB1012 September 2019

Coursework: 50% (Quizzes, Exam 1, Exam 2)
Final Exam: 50%
1 2 3 4 5 6 7 8
REVISION
Mechanical properties of materials
WEEK 12:
Introduction to Materials ฀ Elastic and Plastic Deformation,
and Atomic Bonding 18- 22/11/19
Stress-strain Behaviour
฀ Definition and History of Materials ฀ Stress and Strain, Ductile vs
฀ Importance of Materials in Modern Brittle,
World, Review of Atomic Bonding ฀ Compressive, Shear and Torsional Phase diagrams for Metallic Systems and
WEEK 1: 02-06/09/19 Deformation, Hardness, Safety Phase Transformations
Imperfections in Solids ฀ Solubility Limits, Phase and Microstructure,
฀ Point and line defects Factors
WEEK 8-9: 21/10-01/11/19 Phase Equilibrium Diagram
฀ Miscellaneous Imperfections ฀ Binary Isomorphous and Binary Eutectic
฀ Grain Size Determination Systems, Lever Rule, The Iron-Carbon
WEEK 4-5: 23/9-04/10/19 System
The structure of crystalline ฀ Isothermal Transformation Diagrams
solids WEEK 11-12: 11 – 18/11/19
฀ Crystal Structures, Crystallog-
raphic Direction and Plane
Diffusion Dislocations & Strengthening
฀ Crystalline and Non-crystalline
Materials ฀ Diffusion Mechanism Mechanisms
฀ Steady-state and Non-steady-state ฀ Basic Concepts of Dislocation
WEEK 2-3: 09-20/09/19
Diffusion ฀ Slip Systems, Solid-solution Hardening
฀ Factors affecting Diffusion ฀ Strain Hardening
WEEK 6-7: 07-18/09/19 WEEK 10: 04-08/11/19
EXAM 1: Friday,11/10/19 (5-7PM) EXAM 2: Thursday,31/10/19 (5-7PM)
HALL BLOCK B (near sport complex) TEST ROOM BLOCK N

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WHY STUDY Material Science?
Service requirement of
the component
Properties of Material
❖ Basic to understand the structure, properties
and processing of materials
Selection of Material
❖ Material science provides engineers and
scientists with the knowledge required to
r
❖ Select appropriate materials;
Mt
 ❖ Design materials appropriate for specific
applications;
L ❖ Use materials appropriately, efficiently, and
safely;
❖ Dispose of these materials after their useful
life.
❖ The only way to meet the requirement of
current and future technology

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1. Introduction to Materials and Atomic Bonding 1.1 Classification of Materials

Metals:
➢Strong, ductile
➢High thermal & electrical conductivity
➢Opaque, reflective.
Steel-cord tires Wire-

Metals and alloy reinforced
cement
Polymers/plastics: Covalent bonding →
sharing of e’s Hybrid Materials
➢Soft, ductile, low strength, low density @Composites
➢Thermal & electrical insulators
➢Optically translucent or transparent.
Ceramic and glass
Polymer
GFRP
Ceramics: ionic bonding
➢compounds of metallic & non-
metallic elements
(oxides, carbides, nitrides, sulfides)
➢Brittle, glassy
➢Non-conducting (insulators)

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STRUCTURE-PROPERTY RELATIONSHIP
Polymers Metals
PROPERTIES Ceramics Polymers
PROCESSING
STRUCTURE
Ceramics
Different atomic arrangement results in
different properties. Metals
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STRUCTURE-PROPERTY RELATIONSHIP- An Example
Transmittance: (optical property)

Aluminum oxide may be transparent, translucent, or opaque
depending on the material structure.

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1. Introduction to Materials and Atomic Bonding THE PERIODIC TABLE
inert gases
give up 1e-
• Columns: Similar Valence Structure

give up 2e-
accept 2e-
accept 1e-
give up 3e-
H He
Li Be O F Ne
Na Mg S Cl Ar
K Ca Sc Se Br Kr
Rb Sr Y Te I Xe
Cs Ba Po At Rn
Fr Ra

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1. Introduction to Materials and Atomic Bonding ELECTONEGATIVITY
✓ Ranges from 0.7 to 4.0

✓ Large values: high tendency to acquire electrons

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1. Introduction to Materials and Atomic Bonding ATOMIC BONDING IN SOLIDS
The forces of attraction that hold atoms together are called

chemical bonds which can be divided into 2 categories :
ATOMIC
BONDING
IN SOLIDS
Primary Secondary
Interatomic Interatomic
Bonding Bonding
Covalent Ionic Metallic Van der

Bonding Bonding Bonding Waals

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1. Introduction to Materials and Atomic Bonding IONIC BONDING

✓ Often found in compounds composed of electropositive elements (metals) and
electronegative elements (nonmetals)
✓ Electron are transferred to form a bond
✓ Large difference in electronegativity required
Ionic bond : metal + nonmetal
donates accepts
electrons electrons
*Dissimilar electronegativities
E.g. 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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1. Introduction to Materials and Atomic Bonding EXAMPLE OF IONIC BONDING
• Properties :
✓ Solid at room
temperature NaCl
(made of ions)
✓ High melting
MgO
H He
and boiling 2.1 CaF2 -
points Li Be O F Ne
1.0 1.5 CsCl 3.5 4.0 -
✓ Hard and brittle Na Mg Cl Ar
0.9 1.2 3.0 -
✓ Poor K Ca Ti Cr Fe Ni Zn As Br Kr
conductors of 0.8 1.0 1.5 1.6 1.8 1.8 1.8 2.0 2.8 -
electricity in Rb Sr
1.0
I
2.5
Xe
-
0.8
solid state Cs Ba At Rn
0.7 0.9 2.2 -
✓ Good conductor
Fr Ra
in solution or 0.7 0.9
when molten
Give up electrons Acquire electrons

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1. Introduction to Materials and Atomic Bonding COVALENT BONDING

❑ Similar electronegativity  share electrons
❑ Bonds determined by valence – s & p orbitals
dominate bonding
❑ Electrons are shared to form a bond
Example: CH4 (Electronegativities
Properties:
are comparable)
➢ Gases, liquids, or solids (made of molecules)
➢ Poor electrical conductors in all phases C: has 4 valence e-,
needs 4 more
➢ Variable ( hard , strong, melting temperature, boiling
point) shared electrons from
H carbon atom
Often found in: CH 4
1. Nonmetallic elemental molecules (H₂, Cl₂, F₂, etc.)
2. Molecule containing dissimilar atoms (CH₄,H₂O,
HNO₃ and HF) H C H
3. Molecules with metals and nonmetals such as
aluminum phosphide (AlP) H: has 1 valence e-,
4. Elemental solid (diamond, silicon, germanium) H needs 1 more
5. Other solid compounds composed of elements that shared electrons
are located on the right hand side of the periodic from hydrogen atoms
table (gallium arsenide - GaAs, indium antimonide -
InSb and silicone carbide - SiC).

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1. Introduction to Materials and Atomic Bonding EXAMPLE OF COVALENT BONDING
Often found in:

1. Nonmetallic elemental
molecules (H₂, Cl₂, F₂, etc)
H2O
column IVA
2. Molecule containing H2
dissimilar atoms (CH₄,H₂O, F2
HNO₃ and HF) C(diamond)
H He
3. Molecules with metals and 2.1
SiC - Cl2
Li Be C O F Ne
nonmetals such as 1.0 1.5 2.5 2.0 4.0 -
aluminum phosphide (AlP) Na Mg Si Cl Ar
0.9 1.2 1.8 3.0 -
4. Elemental solid (diamond, 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 -
silicon, germanium) Rb I
Sr Sn Xe
5. Other solid compounds 0.8 1.0 1.8 2.5 -
Cs Ba Pb At Rn
composed of elements 0.7 0.9 1.8 2.2 -
that are located on the Fr Ra
right hand side of the
0.7 0.9 GaAs
periodic table (gallium
arsenide - GaAs, indium
antimonide - InSb and
silicone carbide - SiC).

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1. Introduction to Materials and Atomic Bonding METALLIC BONDING

➢ Occur when some electrons in the valence shell separate from
their atoms and exist in a cloud surrounding all the positively
charged atoms.
➢ The valence electron form a ‘sea of electron’.
➢ Found for group IA and IIA elements.
➢ Found for all elemental metals and its alloy
➢ Arises from a sea of donated valence electrons (1, 2, or 3 from each
atom)
➢ Primary bond for metals and their alloys
Properties:
❑ Good electrical conductivity
❑ Good heat conductivity
❑ Ductile
❑ Opaque

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1. Introduction to Materials and Atomic Bonding SECONDARY BONDING
asymmetric electron eg: H 2

❑ Arises from interaction between dipoles Adapted from Fig. 2.13,
clouds Callister & Rethwisch 8e. H2 H2
❑ Three bonding mechanism:
(1) Fluctuating Induced Dipole Bonds

+ - + - H H H H
secondary secondary
Eg: Inert gases, symmetric molecules (H2, Cl2) bonding bonding
(2) Polar molecule-Induced Dipole Bonds secondary

secondary H Cl
Asymmetrical molecules such as HCl, HF + - + - bonding H Cl
bonding
liquid HCl
(3) Permanent Dipole Bonds
Hydrogen bonding, Between molecules
polyvinyl chloride

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Name: ID:
1. Introduction to Materials and Atomic Bonding
Example #2
Specify the type of atomic bonding for each of the following materials:
a. Methane (CH4)
b. Magnesium oxide (MgO)
c. Tungsten (W)
d. Graphite
e. Sodium chloride (NaCl)

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1. Introduction to Materials and Atomic Bonding CONCLUSION
▪The major classes of materials include metals, polymers, ceramics and

composites, each with distinctive properties.
▪ The structure of materials determine their properties. Properties can

be changed during processing due to the change in the structure.
▪ In choosing the most suitable material for a specific application,

various aspects need to be considered: the desirable properties,
environmental impact, cost, safety, performance, etc.
You should be able to:

Differentiate between primary and secondary bonding and provide
example of materials for each type.
Predict the type of bonding based on the atoms electronegativity
values.

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2. The Structure of Crystalline Solid

Learning Outcomes:
At the end of the chapter, the students should be able to:
To describe the atomic arrangement for crystalline and non
1 crystalline materials.
To draw unit cells for face-centered cubic (FCC), body centered

2 cubic (BCC) and hexagonal close-packed (HCP) crystal structures
To derive the relationship between unit cell edge length and

3 atomic radius, for FCC and BCC crystal structures
To compute the densities for metals having FCC and BCC crystal
4 structures given their unit cell dimensions
Students will be assessed using Bloom’s Taxonomy:

1. Cognitive/Knowledge
2. Affective/Attitude

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FUNDAMENTAL CONCEPT : Classification of solid materials
✓ Atoms pack in periodic, 3D arrays

✓ Typical of:
❑ metals SOLIDS MATERIALS ✓ Atoms have no periodic packing
❑ many ceramics
✓ Occurs for:
❑ some polymers
❑ complex structures
❑ rapid cooling
Crystalline Material
Non-crsytalline material (Amorphous)
Poly-crystal Single crystal
Si
➢ Completely Oxygen
ordered
➢ In segments
Non-crsytalline SiO2
A single crystal solid is a
material in which the "Amorphous" = Non-crystalline
crystal lattice of the entire
sample is continuous and
unbroken to the edges of
the sample.

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2. The Structure of Crystalline Solid CRYSTAL STRUCTURE

Unit Cell - When a solid
Lattice -
has a crystalline
The three A crystal
structure, the atoms
dimensional structure is
are arranged in
array
a three-
formed by + repeating structures
called Unit Cells. The = dimensional
the unit
Unit Cell is the smallest
cells of a repeating
unit that demonstrate
crystal is array.
the full symmetry of a
called
crystal.
lattice
Unit cell - a
tiny box that
describe
the crystal
structure.

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FACE-CENTERED CUBIC CRYSTAL
STRUCTURE
Unit Cell
An aggregate of
A reduced-sphere
A hard-sphere unit many atoms (spheres)
unit cell

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CRYSTAL SYSTEM
BRAVAIS LATTICE- describe the geometric arrangement of the lattice points and the
translational symmetry of the crystal.
➢ 7 crystal systems :
cubic, hexagonal, rhombodhedral
tetragonal,, orthorhombic,
monoclinic, triclinic.
➢ By adding additional lattice point to 7
basic crystal systems – form 14 Bravais
lattice.
• However, most metals exhibit one of three
crystal structure: BCC, FCC & HCP
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2. The Structure of Crystalline Solid CRYSTAL STRUCTURE OF METALS

Most metals (about 90%) crystallize upon solidification into three densely
packed crystal structures as shown below (BCC,FCC,HCP). However, simple
cubic (SC) crystals are rather rare which can be viewed as simple cubic grid.
Body-centered Face-centered
cubic (BCC) Simple cubic (SC) Hexagonal closed
cubic (FCC)
packed (HCP)

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2. The Structure of Crystalline Solid CRYSTAL STRUCTURE OF METALS
Body-centered cubic (BCC) Face-centered cubic (FCC)
*Lower ductility but a higher yield *Atoms for FCC are more densely packed
strength than FCC metals than BCC
Cube with an atom at each corner and Cube with an atom at each corner, one in
one in the center the center and one in the center of each
No. of atom at corner = 8x1/8 = 1 atom side of the cube
No. of atom at center = 1 atom No. of atom at face = 6x1/2 = 3 atom
Total no. of atom in 1 = 2 atoms No. of atom at corner = 8x1/8 = 1 atom

unit cell Total no. of atom in 1 = 4 atoms
e.g: Chromium (Cr), Tungsten(W), unit cell
Molybdenum (Mo), Vanadium(V) e.g: Aluminum (Al), Nickel (Ni), Copper
(Cu), Platinum (Pt)

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CRYSTAL STRUCTURE OF METALS
Hexagonal closed packed (HCP)
Simple cubic (SC) *Atoms are as densely

packed as in the FCC
unit cell. Difference:
Arrangement of the
atoms
Because of the spacing of the lattice structure, rows of atoms

do not easily slide over one another in HCP - have lower
Cube where atoms lie on a grid plasticity and ductility than cubic structures
Hexagon with a reference atom that is surrounded by 12 atoms that

No. of atom at = 8x1/8 = 1 atom
are equal distance from the reference atom
corner
No. of atom at corner for top face = 6x1/6 = 1 atom
Total no. of = 1 atom
atom in 1unit No. of atom at corner for bottom face = 6x1/6 = 1 atom
cell No. of atom at centre = 3 atoms
e.g. Manganese (Mn) No. of atom at centre for top face = 1x1/2 = 1/2 atom
Total no. of atom in 1unit cell = 6 atoms
No. of atom at centre for bottom face = 1x1/2 = 1/2 atom
e.g: Magnesium (Mg) , Zinc (Zn), Titanium (Ti), Zirconium (Zr)

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CRYSTAL STRUCTURE OF METALS: EXERCISE

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Body-centered cubic (BCC)
In BCC structures, the center atom reaches the corner (as shown)
If “a” is the lattice parameter of BCC and “r”

or “R” is the radius of atoms it can be written
as :
( DF ) 2 = ( DG ) 2 + (GF ) 2
Now ( DG ) 2 = ( DC ) 2 + (CG ) 2 and DF = 4r
therefore ( DF ) 2 = ( DC ) 2 + (CG ) 2 + (GF ) 2
i.e.
( 4r ) 2 = a 2 + a 2 + a 2
a 3
r=
therefore

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Face-centered cubic (FCC)
In face centered cubic structures, the atoms at center of face are touching the
corner atoms as shown:
If “a” is the lattice parameter of FCC and “r” is the radius of atoms,
it can be written as :
( DB) 2 = ( DC ) 2 + (CB ) 2
i.e. ( 4r ) 2 = ( a ) 2 + ( a ) 2
a
therefore r=
2 2

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2. The Structure of Crystalline Solid Simple cubic (SC)
In simple cubic structures, the atoms are assumed to be placed in

such a way that any two atoms touch each other
If “a” is the lattice parameter of SC and

“r” is the radius of atoms, it can be
written as :
a
r=
2

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2. The Structure of Crystalline Solid SUMMARY OF CRYSTAL STRUCTURES
Body-centered cubic Face-centered cubic Hexagonal closed packed Simple cubic (SC)
(BCC) (FCC) (HCP)
a (lattice constant) a (lattice constant) a (lattice constant)

a (lattice constant)
a a c a
r=
a 3 r= r= 8 r=
2 2 = = 1.633 2
4 2 a 3
Atoms/unit cell = 2 Atoms/unit cell = 4 Atoms/unit cell = 6 Atoms/unit cell = 1

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ATOMIC PACKING FACTOR
✓ Atomic packing factor (APF) is defined as the efficiency of atomic arrangement
in a unit cell.
✓ It is used to determine the most dense arrangement of atoms. It is because
how the atoms are arranged determines the properties of the particular
crystal.
✓ It is represented mathematically by :
APF = (No. of atom/unit cell, n) X (Volume of atoms in the unit cell,Vs)
(Volume of the unit cell, Vc)
❖ Calculate the APF for Simple Cubic (SC)? volume a

atoms r=
atom 2
a
unit cell
4 3 
(1)  (0.5a )  R=0.5a
APF =  3 
close-packed directions
a3 volume contains 8 x 1/8 = 1 atom/unit cell
unit cell
✓APF for a Simple Cubic structure = 0.52
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2. The Structure of Crystalline Solid QUIZ 1 Name: ID:
❖ Calculate the APF for BCC and FCC ?

Body-centered cubic (BCC) Face-centered cubic (FCC)

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DENSITY COMPUTATIONS
A knowledge of the crystal structure of a metallic solid

permits computation of its DENSITY through the relationship :
Mass of Atoms in Unit Cell

Density ,  =
Total Volume of Unit Cell
nA
=
VC N A
where n = number of atoms/unit cell
A = atomic weight
VC = Volume of unit cell = a3 for cubic
NA = Avogadro’s number
= 6.022 x 1023 atoms/mol

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DENSITY COMPUTATIONS: EXAMPLE
➢ Iron has a BCC crystal structure, an atomic radius of 0.124 nm, and an atomic
weight of 55.85 g/mol. Compute its theoretical density to examine the atomic
packing of crystallographic planes.

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QUIZ 2 Name: ID:
Chromium has an atomic radius of 0.125 nm, an BCC crystal structure,

an atomic weight of 52.00 gmol-1. Compute its theoretical density.

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Fundamentals of Crystallography : Linear Atomic Densities

❖ We want to examine the atomic packing of crystallographic planes
Number of Atoms centered on Direction Vector
Linear Density , LD =
Length of the Direction Vector
❖ E.g: Determine the linear density (LD) of the [110] direction for the FCC crystal
structure.
✓ 5 atom lie on the bottom face of unit cell
✓ [110] direction vector passes from center of atom X, through atom Y and finally to the center of atom
Z (it is necessary to take account the sharing atoms with adjacent unit cells). Each of the X and Z
corner atoms is also shared with one other adjacent unit cell along this [110] direction (1/2 atom of
each belongs to the unit cell considered).
2 atoms 1
LD110 = =
4R 2R
(unit : nm −1 , m −1 )

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Fundamentals of Crystallography : Planar Atomic Densities

➢ We want to examine the atomic packing of crystallographic planes
Number of Atoms Centered on Plane
Planar Density, PD =
Area of Plane
➢ E.g: Consider the section of (110) plane within FCC unit cell.
✓ Although 6 atoms have centers lie on this plane, only ¼ of A,C,D and F , and ½ B and E, for a total of
just 2 atoms, are on the plane.
✓ Area of the rectangular=length x wide. From fig.(b) the length (horizontal dimension) = 4R, whereas
the width (vertical dimension) = 2R 2 because it corresponds to the FCC unit cell length.
✓ Area of the planar = (4 R)(2 R 2 ) = 8R 2 and the Planar Density is determined as follows:
2
2 atoms 1
PD110 = 2
=
8R 2 4R 2 2
(unit : nm −2 , m −2 )

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Fundamentals of Crystallography
ISSUES TO ADDRESS...
• What is the difference in atomic arrangement

between crystalline and noncrystalline solids?
• How are crystallographic directions and planes

named?
• Under what circumstances does a material

property vary with the measurement direction?

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Fundamentals of Crystallography : Energy and Packing
• Non dense, random packing Energy
typical neighbor
bond length
typical neighbor r
bond energy, E1
• Dense, ordered packing Energy
typical neighbor
bond length
typical neighbor r
bond energy, E2
E2 < E1
Dense, ordered packed structures tend to have lower energies.

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Fundamentals of Crystallography : Crystal Systems

➢ Unit cell: smallest repetitive volume which contains the
complete lattice pattern of a crystal.
➢ The Unit Cell Geometry is completely defined in terms of
6 parameters: 3 edges lengths (a, b, c); 3 interaxial
angles (, , ).
• 7 crystal systems (cubic,

hexagonal, rhombodhedral tetragonal,,
orthorhombic, monoclinic, triclinic)
• 14 crystal lattices (By adding

additional lattice point to 7 basic crystal
systems – form 14 Bravais lattice)
a, b, and c are the lattice constants

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Fundamentals of Crystallography : Point Coordinates

➢ Lattice position within Unit Cell using Point Coordinate indices: q, r and s. Where
these indices are fractional multiples of a, b and c Unit Cell edge lengths, i.e:
✓ q is some fractional length of a along the x axis
✓ r is some fractional length of b along the y axis
✓ s is some fractional length of c along the z axis
➢ Or:
✓ qa is lattice position referenced to the x axis
✓ rb is lattice position referenced to the y axis
✓ sc is lattice position referenced to the z axis

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Fundamentals of Crystallography E.g. Location of Point Having Specified Coordinates
❖ Locate the point having coordinates ¼ 1 ½ for the

unit cell shown (a).

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Fundamentals of Crystallography Crystallographic Directions (1)

Steps to determine the 3 directional indices
z
1. Determine coordinates of vector tail, pt. 1: x1, y1 &
c z1; and vector head, pt. 2: x2, y2 & z2.
2. Tail point coordinates subtracted from head point
coordinates: x1-x2, y2-y1, and z2-z1.
pt. 2 head pt. 1: tail 3. Normalize coordinate differences in terms of lattice
y parameters a, b, and c:
a b
x
4. Adjust to smallest integer values
5. Enclose in square brackets, no commas [uvw] u,
Example 1: v, w integers correspond to the normalized
pt. 1 x1 = 0a, y1 = 0b, z1 = 0c coordinate differences referenced to the x, y and z,
pt. 2 x2 = a, y2 = 0b, z2 = c/2 respectively.
1, 0, 1/2 2, 0, 1 [201]
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Fundamentals of Crystallography : Crystallographic Directions 2

z pt. 2 Example 2:
head pt. 1 x1 = a, y1 = b/2, z1 = 0c
pt. 2 x2 = -a, y2 = b, z2 = c
c -2, 1/2, 1
b
a y Multiplying by 2 to eliminate the fraction:
where the overbar represents
x
pt. 1:
tail
-4, 1, 2 [ 412 ] a negative index
Common
directions
[111], [110], [100]
➢ Families of directions uvw.

E.g: for cubic 100 rep. for [100],[100],[010],[010] and [001]
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Fundamentals of Crystallography : Crystallographic Planes

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• Miller Indices: Reciprocals of the (three) axial intercepts

as (hkl) for a plane, cleared of fractions & common
multiples. All parallel planes have same Miller indices.
• Steps to determine the Plane:

1. Read off intercepts of plane with axes in
terms of a, b, c
2. Take reciprocals of intercepts
3. Reduce to smallest integer values
4. Enclose in parentheses, no commas i.e., hkl ( )

lOMoARcPSD|25302423

z
Example 1 a b c
1. Intercepts 1 1  c
2. Reciprocals 1/1 1/1 1/
1 1 0
3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
x
z
Example 2 a b c
1. Intercepts 1/2   c
2. Reciprocals 1/½ 1/ 1/
2 0 0
3. Reduction 2 0 0
y
4. Miller Indices (100) a b
x
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z
Example 3 a b c c
1. Intercepts 1/2 1 3/4 ·
2. Reciprocals 1/½ 1/1 1/¾
2 1 4/3 · y
·
3. Reduction 6 3 4 a b
4. Miller Indices (634) x
➢ Family of Planes {hkl}

Ex: {100} = (100), (010), (001), (100), (010), (001)

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Fundamentals of Crystallography : Crystallographic SUMMARY
• Atoms may assemble into crystalline or amorphous structures.
• Crystallographic points, directions and planes are specified in

terms of indexing schemes.
• Crystallographic directions and planes are related

to atomic linear densities and planar densities.
• Materials can be single crystals or polycrystalline.
• Material properties generally vary with single crystal

orientation (i.e., they are anisotropic), but are generally
non-directional (i.e., they are isotropic) in polycrystals
with randomly oriented grains.


Chapter 1 2 Atomic Bonding Structure of Crystalline Solids

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Chapter 1-2 Atomic Bonding Structure of Crystalline Solids

Introduction to Material Science Engineering (PETRONAS University of Technology)

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Course Timetable for September 2019

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Introduction To Material Science

At the end of the course, the students should be able to:

Explain the microstructure-property relationship of

Analyse the processes of diffusion, dislocation,

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Introduction To Material Science

Mechanical Engineering Programme Outcomes (PO)

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Introduction To Material Science

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Introduction To Material Science

September 2019 Course Plan

Course Code & Name MEB1012 Introduction to Material Science

(Course Learning 1.Explain the microstructure-property relationship of various materials based

This course provides the fundamentals in understanding the structure-

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Introduction To Material Science

Course Plan for MEB1012 September 2019

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Introduction To Material Science

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Introduction To Material Science

1. Introduction to Materials and Atomic Bonding 1.1 Classification of Materials

Steel-cord tires Wire-

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Introduction To Material Science

PROPERTIES Ceramics Polymers

Introduction To Material Science

STRUCTURE-PROPERTY RELATIONSHIP- An Example

Transmittance: (optical property)

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Introduction To Material Science

1. Introduction to Materials and Atomic Bonding THE PERIODIC TABLE

• Columns: Similar Valence Structure

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Introduction To Material Science

1. Introduction to Materials and Atomic Bonding ELECTONEGATIVITY

✓ Ranges from 0.7 to 4.0

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Introduction To Material Science

1. Introduction to Materials and Atomic Bonding ATOMIC BONDING IN SOLIDS

The forces of attraction that hold atoms together are called

Covalent Ionic Metallic Van der

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Introduction To Material Science

1. Introduction to Materials and Atomic Bonding IONIC BONDING

Ionic bond : metal + nonmetal

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Introduction To Material Science

1. Introduction to Materials and Atomic Bonding EXAMPLE OF IONIC BONDING

Give up electrons Acquire electrons

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Introduction To Material Science

1. Introduction to Materials and Atomic Bonding COVALENT BONDING

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