CHAPTER 1 : STRUCTURE

SUBCONTENT :
1.1
1.2 1.3 1.4

ATOMIC STRUCTURE.
INTERATOMIC BONDING AMORPHOUS AND CRYSTALLINE SOLID. CRYSTAL STRUCTURES. EFFICIENCY OF ATOMIC PACKING, DENSITY COMPUTATION, MILLER INDICES. RELATIONSHIP BETWEEN ATOMIC STRUCTURE, CRYSTAL STRUCTURES AND PROPERTIES OF MATERIAL.

1.5

LEARNING OBJECTIVE
You should be able: Describe an atomic structure Configure electron configuration Differentiate between each atomic bonding Briefly describe ionic, covalent, metallic, hydrogen and van der waals bonds Relate the atomic bonding with material properties

1.1 ATOMIC STRUCTURE

What are ATOMS?
All matter is made up of tiny particles called atoms. Since the atom is too small to be seen even with the most powerful microscopes, scientists rely upon on models to help us to understand the atom.

Even with the worlds best microscopes we cannot clearly see the structure or behavior of the atom.
4

Is this really an ATOM?

Even though we do not know what an atom looks like, scientific models must be based on evidence. Many of the atom models that you have seen may look like the one below which shows the parts and structure of the atom.

This model represents the most modern version of the atom.

Wave Mechanical Atomic Model

Bohr Theory

What does an ATOM look like?

Atoms are made of a nucleus that contains protons, neutrons and electrons that orbit around the nucleus at different levels, known as shells.

Protons and neutrons join together to form the nucleus the central part of the atom

Neutron Proton
+

Nucleon or Nucleus

Electrons move around the nucleus

Electron
Shell @ Orbital @ Energy level

Fig. : A simplified diagram of atom 6

These particles have the following properties:

Particle Charge Location Mass (amu) Symbol

Proton

Positive (+ve)

Nucleus

1.0073

+
Neutron Neutral Nucleus 1.0087

Electron

Negative (-ve)

Orbital

0.000549

To describe the mass of atom, a unit of mass called the atomic mass unit (amu) is used.

The number of protons, neutrons and electrons in an atom completely determine its properties and identity. This is what makes one atom different from another.

Why are all ATOMS are ELECTRICALLY NEUTRAL?

Most atoms are electrically neutral, meaning that they have an equal number of protons and electrons. The positive and negative charges cancel each other out. Therefore, the atom is said to be electrically neutral.

Neutron
+ ++ + Fig. : Beryllium atom Proton = 4
NEUTRAL

Proton
+

Electron

Electron = 4
8

CHARGE

If an atom gains or loses electrons, the atom is no longer neutral and it become electrically charged . The atom is then called an ION.
cation - ion with a positive charge
- If a neutral atom loses one or more electrons, it becomes a cation.
11 protons 11 electrons

Na

Na+

11 protons 10 electrons

Cations are smaller than their parent atom because there is less e-e repulsion

anion - ion with a negative charge

- If a neutral atom gains one or more electrons, it becomes an anion. 17 protons 17 electrons

Cl

Cl-

17 protons 18 electrons

Anions are larger than their parent atom because there is 9 more e-- e repulsion

ATOMIC NUMBER and ATOMIC MASS

Atom can be described using : 1) ATOMIC NUMBER 2) ATOMIC MASS

ATOMIC NUMBER, Z = no. of protons

SYMBOL
ATOMIC MASS , A =
no. of protons (Z) + number of neutrons (N)

The element helium has the atomic number 2, is represented by the symbol He, its atomic mass is 4 and its name is helium. 10

ATOMIC NUMBER tells how many PROTONS (Z) are in its atoms which determine the atoms identity.

The list of elements (ranked according to an increasing no. of protons) can be looked up on the Periodic Table. So, if an atom has 2 protons (atomic no. = 2), it must be helium(He).

ATOMIC MASS tells the sum of the masses of PROTONS (Z) and NEUTRONS (N) within the nucleus E.g :

Lithium:
Atomic number = 3 3 protons, Z 4 neutrons, N Atomic mass, A = 3 + 4 = 7

BUT... although each element has a defined number of protons, the number of neutrons is not fixed isotopes
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ISOTOPES
Atoms which have the same number of protons but different numbers of neutrons.
Different mass number

1 1H
Natural Isotope Hydrogen 1 (hydrogen)

2 1H
Proton 1

(D)
Atomic Mass 1 0

3 1H

(T)

Same atomic no. @ no. of protons Neutron

Atoms which have the same atomic number but different atomic mass .

Eg : Hydrogen has 3 isotopes.

Hydrogen 2 (deuterium)

Hydrogen 3 (tritium)

12

Example of isotopes :

Element Hydrogen

Name Hydrogen Deuterium Tritium Oxygen-16 Oxygen-17 Oxygen-18 Carbon-12 Carbon-13 Carbon-14 Chlorine-35 Chlorine-37 Sodium-23 Sodium-24

Oxygen

Carbon Chlorine Sodium

Number of Proton 1 1 1 8 8 8 6 6 6 17 17 11 11

Nucleon Number 1 2 3 16 17 18 12 13 14 35 37 23 24

Number of Neutron 0 1 2 8 9 10 6 7 8 18 20 12 13

EXERCISE
Naturally occurring carbon consists of three isotopes, 12C, 13C, and 14C. State the number of protons, neutrons, and electrons in each of these carbon atoms.
12C 6 13C 6 14C 6

#p _______
#n _______ #e _______

_______
_______ _______
14

_______
_______ _______

ELECTRON SHELLS
The electron cloud that surrounded the nucleus is divided into 7 shells (a.k.a energy level) K (1st shell, closest to nucleus) followed by L, M, N, O, P, Q.

Each of the shell, hold a limited no. of electrons. E.g : K (2 electrons), L (8 electrons), M (18 electrons), N (32 electrons).

N (32 electrons)
4th shell 3rd shell 2nd shell 1st shell

M (18 electrons)

L (8 electrons)
K (2 electrons)

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ORBITAL
Within each shell, the electrons occupy sub shell (energy sublevels) s, p, d, f, g, h, i. Each sub shell holds a different types of orbital. Each orbital holds a max. of 2 electrons. Each orbital has a characteristic energy state and characteristic shape. s - orbital Spherical shape Located closest to nucleus (first energy level) Max 2 electrons p - orbital - There is 3 distinct p - orbitals (px, py, pz) - Dumbbell shape - Second energy level - 6 electrons

d- orbital - There is 5 distinct d orbitals - Max 10 electrons - Third energy level

17

Table : The number of available electron states in some of the electrons shells and subshells.

The max. no. of electrons that can occupy a specific shell can be found using the following formula: Electron Capacity = 2n2

ELECTRON CONFIGURATIONS
Electron configuration the ways in which electrons are arranged around the nucleus of atoms. The following representation is used : The following representation is used :

Example: it means that there are two electrons in the s orbital of the first energy level. The element is helium.

Based on the Aufbau principle, which assumes that electrons enter orbital of lowest energy first.

The electrons in their orbital are represented as follows :

1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 6s2 4f14 5d10 6p6 7s2 5f14 6d10 7p6

By following these rules, we can build up the electron shell structure of all the atoms. Atom Hydrogen Helium Lithium Beryllium Chlorine Argon Potasium Calcium Symbol H He Li Be Cl Ar K Ca Atomic Number Electron configuration

1 2 3 4 17 18 19 20

1s1 1s2 1s2 2s1 1s2 2s2 1s2 2s2 2p6 3s2 3p5 1s2 2s2 2p6 3s2 3p6 1s2 2s2 2p6 3s2 3p6 4s1 1s2 2s2 2p6 3s2 3p6 4s2

The key to the properties of atoms is the electrons in the outer shell.
21

How to Write the Electron Configuration of the Element?

3rd shell (energy level)

ee-

eee- e-

e- e2nd shell (energy level)

e-

e- eeee-

e-

Lithium (3 electrons)

Magnesium (12 electrons)

Answer : ls2 2s1

22

Answer : 1s2 2s2 2p6 3s2

TRANSITION ELEMENT

Cr [Z = 24] Mo [Z = 42] Cu [Z = 29] Ag [Z = 47] Au [Z = 79]

4s1 3d5 (correct) 5s1 4d5 (correct) 4s1 3d10 (correct) 5s1 4d10 (correct) 6s1 5d10 (correct)

halfly filled halfly filled completely filled completely filled completely filled

Exercise Write the electron configuration for below element. 1s2 2s2 2p6 3s2 3p6 4s2 3d10 4p6 5s2 4d10 5p6 6s2 4f14 5d10 6p6 7s2 5f14 6d10 7p6
a) K b) K1+ c) Fe

d) Fe3+

Exercise : TEST 1 [July 2011] 1a] With the aid of sketches, describe the Bohr Model of the sodium [Na] and its ion in terms of valence electron , number of electron and shell. [4 marks]

1.2 INTERATOMIC BONDING AMORPHOUS AND CRYSTALLINE SOLID

The forces of attraction that hold atoms together are called chemical bonds which can be divided into 2 categories :

1) Primary Interatomic Bonding Metallic, ionic and covalent

2) Secondary Atomic Bonding Van der Waals

Chemical reactions between elements involve either the releasing/receiving or sharing of electrons .

PRIMARY INTERATOMIC BONDING 1) IONIC BONDING

How is ionic bonding formed??

Often found in compounds composed of electropositive elements (metals) and electronegative elements (non metals) Electron are transferred to form a bond Large difference in electronegativity required
27

Example: NaCl

IONIC BONDING

Properties : Solid at room temperature (made of ions) High melting and boiling points Hard and brittle Poor conductors of electricity in solid state Good conductor in solution or when molten

EXAMPLE : IONIC BONDING Predominant bonding in Ceramics

H 2.1 Li 1.0 Na 0.9 K 0.8 Rb 0.8 Cs 0.7 Fr 0.7

Be 1.5 Mg 1.2 Ca 1.0 Sr 1.0 Ba 0.9 Ra 0.9 Ti 1.5 Cr 1.6

NaCl MgO CaF2 CsCl

Fe 1.8 Ni 1.8 Zn 1.8 As 2.0

O F 3.5 4.0 Cl 3.0 Br 2.8 I 2.5 At 2.2

He Ne Ar Kr Xe Rn -

Give up electrons

Acquire electrons

EXERCISE
Draw the following ionic bonding?
IONIC BONDING : Group 1 metal + Group 7 non metal, eg : NaCl Group 2 metal + Group 7 non metal, eg : MgF, BeF, MgBr, CaCl or CaI Group 2 metal + Group 6 non metal, eg : CaO, MgO, MgS, or CaS

2) COVALENT BONDING

How is covalent bonding formed??

Electrons are shared to form a bond. Most frequently occurs between atoms with similar electronegativities. Often found in:

Molecules with nonmetals Molecules with metals and nonmetals (Aluminum phosphide (AlP) Nonmetallic elemental molecules (H, Cl, F, etc) Elemental solids (diamond, silicon, germanium) Compound solids (about column IVA) (gallium arsenide - GaAs, indium antimonide - InSb and silicone carbide - SiC)

2) COVALENT BONDING
Properties
Gases, liquids, or solids (made of molecules) Poor electrical conductors in all phases Variable ( hard , strong, melting temperature, boiling point)

EXAMPLE : COVALENT BONDING

H2
H 2.1 Li 1.0 Na 0.9 K 0.8 Rb 0.8 Cs 0.7 Fr 0.7 Be 1.5 Mg 1.2 Ca 1.0 Sr 1.0 Ba 0.9 Ra 0.9

column IVA

H2O
C(diamond)

F2
He O 2.0 F 4.0 Cl 3.0 Ne -

SiC
Ti 1.5
Cr 1.6

Fe 1.8

Ni 1.8

Zn 1.8

Ga 1.6

C 2.5 Si 1.8 Ge 1.8 Sn 1.8 Pb 1.8

Cl2

As 2.0

Br 2.8 I 2.5
At 2.2

Ar Kr Xe Rn -

GaAs

Molecules with nonmetals Molecules with metals and nonmetals Elemental solids Compound solids (about column IVA)

EXERCISE
Draw the following covalent bonding? SINGLE BOND : Hydrogen Fluorine Water DOUBLE BOND : Oxygen

TRIPLE BOND : Nitrogen

3) METALLIC BONDING

How is metallic bonding formed??

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.

3) METALLIC BONDING

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3) METALLIC BONDING
Properties: Good electrical conductivity Good heat conductivity Ductile Opaque

Explain why are metals ductile and can conduct electricity?

SECONDARY INTERATOMIC BONDING VAN DER WAALS

Arise from atomic or molecular dipoles

 Three bonding mechanism Fluctuating Induced Dipole Bonds

Eg: Inert gases, symmetric molecules (H2, Cl2)

Polar molecule-Induced Dipole Bonds Asymmetrical molecules such as HCl, HF Permanent Dipole Bonds Hydrogen bonding

Between molecules
H-F, H-O, H-N

MOLECULE
Molecule is considered the smallest particle of a pure chemical substance that still retains its composition and chemical properties. Most common molecules are bound together by strong covalent bonds. E.g. : F2, O2, H2. The smallest molecule : Hydrogen molecule .

Type Ionic bonding Covalent bonding

Bond energy

Summary of BONDING
Melting point Very high Hardness Hard and brittle Very hard (diamond) Conductivity Poor -required moving ion Poor Variable Highest diamond (>3550) Mercury (-39)

Comments Nondirectional (ceramic) Directional (Semiconductors, ceramic, polymer chains)

Large (150-370kcal/mol) Variable (75-300 kcal/mol) Large -Diamond Small Bismuth

Metallic bonding

Variable (25-200 kcal/mol)

Low to high

Soft to hard

Excellent

Nondirectional (metal)

Large- Tungsten Small- Mercury Secondary bonding Smallest Low to moderate Fairly soft Poor Directional inter-chain (polymer) inter-molecular

* Directional bonding

Strength of bond is not equal in all directions

* Nondirectional bonding Strength of bond is equal44 in all directions

SUMMARY : PRIMARY BONDING

Ceramics
(Ionic & covalent bonding):

Large bond energy

large Tm large E small a

Metals
(Metallic bonding):

Variable bond energy

moderate Tm moderate E moderate a

Polymers
(Covalent & Secondary):

Directional Properties
Secondary bonding dominates small T small E large a

Exercise : Final Exam [March 2002]

1a] Briefly describe differences between metallic bond and covalent bond. Support your answer with an example and simple sketch. (7 Marks)

1.3 CRYSTAL STRUCTURE

Crystal structure Noncrsytalline material (Amorphous)

Crystalline Material

Single Crystal

polycrystal
* comprised of many single crystal or grain

Crystalline materials... atoms pack in periodic, 3D arrays typical of: -metals -many ceramics -some polymers

crystalline SiO2

Noncrystalline materials... atoms have no periodic packing occurs for: -complex structures -rapid cooling
noncrystalline SiO2

"Amorphous" = Noncrystalline

Structure of SOLID
Amorphous Crystal

No recognizable longrange order

Atoms are disordered No lattice

Entire solid is made up of atoms in an orderly array

All atoms arranged on a common lattice

Polycrystalline

Completely ordered In segments

Different lattice orientation for each grain

 Some engineering applications require single crystals:

--turbine blades

 Most engineering materials are polycrystals.

grain

QUESTION : FINAL EXAM [OCT 2012]

1a] With the aid of sketches, explain the following terms :

i. ii. iii.

Crystalline materials Amorphous materials Single crystalline

iv. Polycrystalline

[8 marks]

CRYSTAL STRUCTURE
Most metals exhibit a crystal structure which show a unique arrangement of atoms in a crystal. A lattice and motif help to illustrate the crystal structure.
Lattice (lines network in 3D) + Motif (atoms are arranged in a repeated pattern) = CRYSTAL STRUCTURE

lattice

motif
54

crystal structure

Unit Cell - When a solid has a crystalline structure, the atoms are arranged in repeating structures called unit cells. The unit cell is the smallest unit that demonstrate the full symmetry of a crystal.

+
Lattice - The three dimensional array formed by the unit cells of a crystal is called lattice.

=
A crystal is a threedimensional repeating array.

Unit cell - a tiny box that describe the crystal structure.

Fig. : The crystal structure (a) Part of the space lattice for natrium chloride (b)Unit cell for natrium chloride crystal

Crystal structure may be present with any of the four types of atomic bonding.
The atoms in a crystal structure are arranged along crystallographic planes which are designated by the Miller indices numbering system. The crystallographic planes and Miller indices are identified by X-ray diffraction.
Fig. : The wavelength of the X-ray is similar to the atomic spacing in crystals.

56

CRYSTAL SYSTEM AND CRYSTALLOGRAPHY

BRAVAIS LATTICE - describe the geometric arrangement of the lattice points and the translational symmetry of the crystal.

7 crystal systems : cubic, hexagonal, tetragonal, rhombodhedral, orthorhombic, monoclinic, triclinic. By adding additional lattice point to 7 basic crystal systems form 14 Bravais lattice.

57

CRYSTAL STRUCTURE OF METALS

SC

FCC

BCC

58

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 crystals are rather rare which can be viewed as simple cubic grid.
Types of crystal structure Examples

Simple cubic

Cube where atoms lie on a grid.

No. of atom at corner = 8x1/8 = 1 atom Total no. of atom in 1unit cell = 1 atom

Manganese

Body centered cubic (BCC)

*Lower ductility but a higher yield strength than FCC metals.

Cube with an atom at each corner and one in the center. No. of atom at corner = 8x1/8 = 1 atom No. of atom at center = 1 atom Total no. of atom in 1unit cell = 2 atoms

Chromium, Tungsten(W), Molybdenum, Vanadium(V)

59

Types of crystal structure

Examples

Face centered cubic (FCC)

* Atoms for FCC are more densely packed than BCC.

Cube with an atom at each corner, one in the center and one in the center of each side of the cube. No. of atom at corner = 8x1/8 = 1 atom No. of atom at face = 6x1/2 = 3 atom Total no. of atom in 1unit cell = 4 atoms

Aluminum, Nickel, Copper, Gold, Lead, Platinum

60

1.4 EFFICIENCY OF ATOMIC PACKING,DENSITY COMPUTATION AND MILLER INDEX

61

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.

In APF, atoms are assumed closely packed and are treated as hard spheres.
It is represented mathematically by : APF = no. of atom, n x volume of atoms in the unit cell, (Vs) volume of the unit cell, (Vc)

62

Table : APF for simple cubic, BCC, FCC and HCP

a (lattice constant) and R (atom radius)

Atoms/unit cell

Coordination No.

Packing Density (APF)

Examples

Simple cubic BCC

a = 2R

52%

CsCl

a = 4R/3

68%

Many metals: -Fe, Cr, Mo, W Many metals : Ag, Au, Cu, Pt

FCC

a = 4R/2 or a = 2R2

12

74%

63

EXAMPLE
Calculate the APF for Simple Cubic (SC)?

APF for a simple cubic structure = 0.52

64

EXERCISE
Calculate the APF for BCC and FCC ?

a) BCC

b) FCC

65

QUESTION : FINAL EXAM [Oct 2010]

1a] Give the definition of a unit cell. Briefly describe lattice constant in the unit cell. [ 4 marks]

1b] Give the definition of APF for a unit cell and calculate the APF for FCC. [4 marks]

66

DENSITY COMPUTATIONS
A knowledge of the crystal structure of a metallic solid permits computation of its density through the relationship :
=
Where
n = number of atoms associated with each unit cell A = atomic weight Vc = volume of the unit cell NA = Avogadros number (6.023 x 1023 atoms/mol)

nA Vc NA

67

EXAMPLE
Calculate the density for nickel (simple cubic structure). Note that the unit cell edge length (a) for nickel is 0.3524 nm.
The volume (V) of the unit cell is equal to the cell-edge length (a) cubed. V = a3 = (0.3524 nm)3 = 0.04376 nm3 Since there are 109 nm in a meter and 100 cm in a meter, there must be 107 nm in a cm. 109 x 1m = 107 nm/cm 1 m 100 cm We can therefore convert the volume of the unit cell to cm3 as follows. 4.376 x 10-2 nm3 x [1 cm ]3 = 4.376 x 10-23 cm 3 107 nm The mass of a nickel atom can be calculated from the atomic weight of this metal and Avogadros number.

58.69g Ni x 1 mol = 9.746 x 10-23 g/atom 1 mol 6.023 x 1023 atoms

68

1(9.746 x 10-23 g/unit cell) = 2.23 g/cm3 4.376 x 10-23 cm 3/unit cell

EXERCISE
Copper has an atomic radius of 0.128 nm, FCC crystal structure and an atomic weight of 63.5 g/mol. Compute its density and compare the answer with its measured density.
Element Symbol Atomic Numbe r 24 27 29 Atomic weight (amu) 52.00 58.93 63.55
Density of solid, 20oC (g/cm3) Crystal structure, 20oC

Atomic radius (nm) 0.125 0.125 0.128

Chromium Cobalt Copper

Cr Co Cu

7.19 8.9 8.94

BCC HCP FCC

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QUESTION : TEST 1 [August 2012]

1b] Platinum has a FCC structure, a lattice parameter of 0.393 nm and an atomic weight of 195.09 g/mol. Determine :

i. ii.

Atomic radius [in cm] Density of platinum [ 6marks]

Solution :

nA Vc NA

70

MILLER INDICES
Miller indices is used to label the planes and directions of atoms in a crystal. Why Miller indices is important? To determine the shapes of single crystals, the interpretation of X-ray diffraction patterns and the movement of a dislocation , which may determine the mechanical properties of the material.

Miller indices (h k l) : a specific crystal plane or face {h k l} : a family of equivalent planes [h k l] : a specific crystal direction <h k l> : a family of equivalent directions

71

Figure : Planes of the form {110} in cubic systems

MILLER INDICES OF A PLANE

How to determine crystal plane indices?
i) Determine the points at which a given crystal plane intersects the three axes, say at (a,0,0),(0,b,0), and (0,0,c). If the plane is parallel an axis, it is given an intersection . ii) Take the reciprocals of the three integers found in step (i). iii) Label the plane (hkl). These three numbers are expressed as the smallest integers and negative quantities are indicated with an overbar,e.g : a.

Axis Interceptions Reciprocals Reduction (if necessary)

Enclosed

(h

k
72

l)

Figure : Planes with different Miller indices in cubic crystals

(0 , 0 , 1) +z _ _ (1 , 0 , 0) x _ _ (0 , 1 , 0) y

+y (0 , 1 , 0)

+x (1 , 0 , 0)

_ z _ (0 , 0 , 1)

EXERCISE. : CRYSTAL PLANE INDICES

Axis
Interceptions Reciprocals Reduction (if necessary) Enclosed ( )

0 1

Axis Interceptions Reciprocals Reduction (if necessary) Enclosed

0 1

74

EXERCISE. : CRYSTAL PLANE INDICES

1
Axis Interceptions Reciprocals Reduction (if necessary) Enclosed ( ) X Y Z

0 1

Axis Interceptions Reciprocals Reduction (if necessary)

5/6

( )

Enclosed

Two numbers in one axes

EXERCISE. : CRYSTAL PLANE INDICES

Axis Interceptions Reciprocals Reduction (if necessary) Enclosed ( )
Plane pass through origin

Axis Interceptions Reciprocals Reduction (if necessary) Enclosed

0
( )

Determine the Miller Indices plane for the following figure below?
a)

b)

Answer :
1

Answer : a) (121)
0

a) (121)

b) (210)
1

1 1

b) (210) 1 c) (111)

c) (111)
d)

c)

Answer :
1

Answer :
1

a) (121) b) (210) 1
1 0

a) (121)

b) (210) 1
1

c) (111)

c)

c) (111)

c)

Determine the Miller indices of a cubic crystal plane that intersects the position coordinates A (1, 1/4, 0), B (1, 1, 1/2) , C (3/4, 1, 1/4) and D (1/2, 1, 0) ?

Axis

Intercepts
Reciprocals Reduction
(if necessary)

Enclosed

Draw the following Miller Indices plane.

a) ( 1 0 0 ) b) ( 0 0 1 ) c) ( 1 0 1 ) d) ( 1 1 0 )

MILLER INDICES OF A DIRECTION

How to determine crystal direction indices?
i) Determine the length of the vector projection on each of the three axes, based on .

ii) These three numbers are expressed as the smallest integers and negative quantities are indicated with an overbar. iii) Label the direction [hkl].
Axis Head (H) Tail (T) Head (H) Tail (T) Reduction (if necessary) Enclosed
* No reciprocal involved. 80

Figure : Examples of direction

X x2 x1 x2-x1 Y y2 y1 y2-y1 Z z2 z1 z2-z1

[h

l]

EXERCISE : CRYSTAL DIRECTION INDICES

Axis Head (H) Tail (T) Projection (H-T) Reduction (if necessary) Enclosed _____________________ [ ] X Y Z

1
1

Axis Head (H) Tail (T) Projection (H-T) Reduction (if necessary) Enclosed

0
_____________________ [
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EXERCISE : CRYSTAL DIRECTION INDICES

Axis Head (H) Tail (T) Projection (H-T) Reduction (if necessary) Enclosed _____________________ [2 4 3] X Y Z

Axis Head (H) Tail (T) Projection (H-T) Reduction (if necessary) Enclosed

0
_____________________ [4 3
82

6 ]

Determine the Miller Indices direction for the following figure below?
a)
1

b)

Answer :

Answer :

a) (121)

a) (121)
b) (210) 1
1 0 1

b) (210) 1
c)

c) (111)

c) (111)

c)

Answer :
a) (121) b) (210) 1
0

c) (111)

c)

Determine the direction indices of the cubic direction between the position coordinates TAIL (3/4, 0, 1/4) and HEAD (1/4, 1/2, 1/2)?

Axis
Head Tail Projection
(Head Tail)

Reduction
(if necessary)

Enclosed

Draw the following Miller Indices direction.

a) [ 1 0 0 ]

b) [ 1 1 1 ]
c) [ 1 1 0 ] d) [ 1 1 0 ]

NOTE (for plane and direction):

PLANE Make sure you enclosed your final answer in brackets () with no separating commas (hkl)

DIRECTION Make sure you enclosed your final answer in brackets () with no separating commas [hkl] FOR BOTH PLANE AND DIRECTION Negative number should be written as follows :

-1 (WRONG)
1 (CORRECT)

Final answer for labeling the plane and direction should not have fraction number do a reduction.
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1.5 RELATIONSHIP BETWEEN ATOMIC STRUCTURE, CRYSTAL STRUCTURES AND PROPERTIES OF MATERIALS

87

PHYSICAL PROPERTIES OF METALS

Physical properties are the characteristic responses of materials to forms of energy such as heat, light, electricity and magnetism.

The physical properties of metals can be easily explained as follows :

Solid at room temperature (mercury is an exception) Opaque Conducts heat and electricity Reflects light when polished Expands when heated, contracts when cooled It usually has a crystalline structure
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MECHANICAL PROPERTIES OF METALS

Mechanical properties are the characteristic dimensional changes in response to applied external or internal mechanical forces such as shear strength, toughness, stiffness etc. The mechanical properties of metals can be easily explained as follows :

89

MECHANICAL PROPERTIES OF METALS

TOUGHNESS - the ability to resist/withstand repeated bending. DUCTILITY - can be easily drawn into wires BRITTLE - easily breaks when subjected to impacts or elongation HARDNESS - resistance to scratching or indentation ELASTICITY - ability to return to its original shape PLASTICITY - does not return to its original shape

STRESS-STRAIN CURVE
A stressstrain curve is a graph derived from measuring load (stress ) versus extension (strain ) for a sample of a material tested using tensile machine. The stress-strain curve characterizes the behavior of the material tested. Different materials show different shapes of graph.
Mild steel (ductile) Cast iron (brittle)

WHY? Because of grain structure atomic bonding(strong-fine microstructures/weak-coarse microstructures).

Figure : Stress strain curve of different materials.

91

 This diagram is used to determine how material will react under a certain load.

Figure : Stress strain diagram

Typical regions that can be observed in a stressstrain curve are:

Elastic region Yielding Strain Hardening Necking and Failure

DEFORMATION OF METALS
1. Elastic deformation Atomic bonds are stretched but not broken. Once the forces are no longer applied, the object returns to its original shape. This means that elastic deformation is reversible.

2. Plastic deformation Atomic bonds are broken and new bonds are created. Therefore, the change is permanent.

Slip plane 93

Elastic/plastic?
1. Initial 2. Small load 3. Unload
bonds stretch return to initial

__________ deformation

__________ deformation

FRACTURE MECHANISM OF METALS

Metals can fail by brittle or ductile fracture. Ductile fracture is better than brittle fracture because : Ductile fracture occurs over a period of time, where as brittle fracture is fast and can occur (with flaws) at lower stress levels than a ductile fracture.

Figure : Stress strain curve for brittle and ductile material

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What are the differences between ductile fracture & brittle fracture?
Ductile fracture
Plastic deformation High energy absorption before fracture Characterized by slow crack propagation Detectable failure Eg: Metals, polymers

Brittle fracture
Small/ no plastic deformation Low energy absorption before fracture Characterized by rapid crack propagation Unexpected failure Eg: Ceramics, polymers

QUESTION : FINAL EXAM [April 2011]

1c] Ductility is one of the important mechanical properties.

i] Define the ductility of a metal. ii] With the aid of schematic diagrams, describe elastic and plastic deformations. [6 marks]

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HARDNESS

Resistance to plastic (permanent) due to impact from a sharp object . It is usually measured by loading an indenter of specified geometry onto the material and measuring the dimensions of the resulting indentation.

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Indenter Knoop (HK) A very small rhombic pyramidal diamond.

Load Between 1 and 1000 g

Applications Measure the hardness of small specimen, very hard brittle materials (ceramic), very thin sections and small elongated areas. Measure the hardness of small specimen, thin materials and small rounded areas. More sensitive to measurement errors than Knoop test Less sensitive to surface conditions than Knoop test Steel parts.

Vickers (HV)

A very small square pyramidal diamond.

Between 1 and 1000 g

Brinell (HB)

Hardened steel or tungsten carbide ball. Hardness-Width of indentation.

Use much higher loads than Rockwell.

Rockwell (HR)

Conical diamond or hardened steel balls. Hardness-Depth of penetration.

An initial minor load (10kg) followed by a larger major load (60, 100 or 150 kg)

Measuring many materials from soft bearing metals to carbides.

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QUESTION : FINAL EXAM [Oct 2012]

1c] Hardness is one of the important mechanical properties in engineering. Describe FOUR [4] types of hardness measurement method in terms of name and types of indenter. [ 4 marks]

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STRUCTURE AND PROPERTIES PowerPoint.

THE END
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