1

Engineering materials

Lecture 1

Classification of materials
Architecture of solids
 2

Classification of materials
• Metallic materials
– Inorganic; composed of one or more metallic elements
and may also contain some nonmetallic elements.
– Crystalline structure
– Relatively strong and ductile
• Polymeric materials
– Consist of organic (carbon-containing) long molecular
chains and networks
– Most are noncrystalline; but some maybe semicrystalline
– Poor conductor of electricity.
– Relatively soft
 3

Classification of materials, cont’d

• Ceramic materials
– Inorganic; Consist of metallic and nonmetallic
elements chemically bonded together.
– Crystalline, noncrystalline or mixture
– High strength and hardness
– High temperature resistance
• Composite Materials
– Mixtures of two or more materials
– Fibrous or particulate
• Electronic Materials
– Pure Silicon and other semiconductor materials
 4

Classification of materials
• Chemical composition
– Organic (carbon included)
• Timber or bamboo
– Inorganic
• Metal
– Ferrous: steel
– Non-ferrous: Aluminum
• Non-metals: concrete, ceramics
 5

The big picture

• Material and structure
• Excitations
– Composition and manufacturing
– Mechanical
– Material and microstructure
– Thermal
– Structural component
– Electric
– Structure
– Magnetic

• Responses • Material engineering properties

– Stress – Elastic modulus
– Strain – Fracture toughness
– Displacement – Creep
– Light emission – Stress relaxation
– Coefficient of thermal expansion
 6

Structure of Atoms
ATOM
Basic Unit of an Element
Diameter : 10 –10 m.
Neutrally Charged

Nucleus Electron Cloud

Diameter : 10 –14m Mass : 9.109 x 10 –28 g
Accounts for almost all mass Charge : -1.602 x 10 –9 C
Positive Charge Accounts for all volume

Proton Neutron
Mass : 1.673 x 10 –24 g Mass : 1.675 x 10 –24 g
Charge : 1.602 x 10 –19 C Neutral Charge
 7

Atomic Number and Atomic Mass

• Atomic Number = Number of Protons in the nucleus

• Unique to an element
¾ Example :- Hydrogen = 1, Carbon= 6
• Relative atomic mass = Mass in grams of 6.203 x 1023
( Avagadro Number) Atoms.
¾ Example :- Carbon has 6 Protons and 6 Neutrons. Atomic Mass
= 12.

• One gram mole = Gram atomic mass of an element.

¾
One gram 6.023 x 1023
12 Grams
Mole of Carbon
Of Carbon
Carbon Atoms
 8

Periodic Table
 9

Example Problem
• A 100 gram alloy of nickel and copper consists of 75
wt% Cu and 25 wt% Ni. What are percentage of Cu
and Ni Atoms in this alloy?
Given:- 75g Cu Atomic Weight 63.54
25g Ni Atomic Weight 58.69
75 g
• Number of gram moles of Cu = = 1 .1 8 0 3 m o l
6 3 . 5 4 g /m ol
25 g
• Number of gram moles of Ni = = 0 .4 2 6 0 m o l
5 8 . 6 9 g /m o l
1.1803
• Atomic Percentage of Cu = ×100 = 73.5%
(1.1803 + 0.4260)
0.4260
• Atomic Percentage of Ni = × 100 = 25.5%
(1.1803 + 0.4260)
 10

Types of Atomic and Molecular Bonds

Bond energy
Bond type Examples
kJ/mol
Ionic 500 - 1200 Ceramic oxides
Primary
Covalent 150 - 750 Diamond
Bonds
Metallic 50 - 850 Metals

Hydrogen 10 - 30 Water
Secondary
Bonds
van der Waals 0.05 - 5 Polymers
 11

Inter-atomic Forces and Energies

Inter-atomic forces-forces between two isolated atoms as
they are brought into close proximity form an infinite
separation

Net force FN = FA + FR

attractive repulsive
r

Equilibrium state occurs at

FN = 0 r = ro

ro
 12

Inter-atomic Forces and Energies

There exists a potential field U, such that
dU
F=
dr
Potential energy between the two atoms
r
U N = ∫ FN dr = ∫ ( FA + FR ) dr = U A + U R
r

∞ ∞

UN: net potential

UA: attractive potential
UR: repulsive potential

Minimum energy occurs at equilibrium state

U N = Uo Bonding energy
 13

Ionic Bonding
Relatively large interatomic forces by an electron transfer
one atom to another to produce ions that are bonded
together by coulombic forces (attraction of positively and
negatively charged ions)

Example: Sodium Chloride (NaCl)

Ionic

Na+ Cl-

cation anion

Non-directional bonds
 14

Ionic Force for Ion Pair

Force versus separation

distance for a pair of
oppositely charged ions

ro
 15

Ion Force for Ion Pair (Cont..)

( Z e )( Z e ) Z Z e
2

F = 4π =
1 2 1 2
A
( ε r ) ( 4π ε r )
0
2
0
2

Z1,Z2 = Number of electrons removed or

added during ion formation
e = Electron Charge
r = Interionic seperation distance
εo = Permeability of free space (8.85 x 10-12c2/Nm2)
nb
F R
=− n +1
(n and b are constants)
r
2

= Z Z e − nb
1 2
F N
( 4π ε r ) r0
2 n +1
 16

Interionic Force - Example

• Force of attraction between Na+ and Cl- ions

Z1 = 1 for Na+, Z2 = 1 for Cl-

e = 1.60 x 10-19 C , ε0 = 8.85 x 10-12 C2/Nm2
r = 2.76 x 10-10 m

Na+ Cl-

ar
2 −19
Z Z e = (+1)(1)(1.60 ×10 C ) 2
= 1 2
= +3.02 × 10−9 N
A
( ε r ) 4π (8.85 x 10 C /Nm )(2.76 x 10
F 4π
0
2 -12 2 2 -10
m) 2
 17

Interionic Energies for Ion Pairs

• Net potential energy for a pair of oppositely
charged ions =
2

= − Z 1 Z 2e + n
b
U N
4π ε 0r r
Attraction Repulsion
Energy Energy

Energy Energy
Released Absorbed

• UN is minimum when ions are at equilibrium

seperation distance r0
 18

Ion Arrangements in Ionic Solids

• Ionic bonds are Non Directional
• Geometric arrangements are present in solids to
maintain electric neutrality.
¾ Example:- in NaCl, six Cl- ions pack around central Na+
Ions

Ionic packing
In NaCl
CsCl and CsCl
NaCl

• As the ratio of cation to anion radius decreases,

2-20 fewer anion surround central cation.
 19

Bonding Energies
• Lattice energies and melting points of ionically
bonded solids are high.
• Lattice energy decreases when size of ion
increases.
• Multiple bonding electrons increase lattice
energy.

¾ Example :-
NaCl Lattice energy = 766 KJ/mol
Melting point = 801oC
CsCl Lattice energy = 649 KJ/mol
Melting Point = 646oC
BaO Lattice energy = 3127
Melting point = 1923oC
 20

Covalent Bonding
• Relatively large inter-atomic forces are created by the
sharing of electrons to form a bond with a localized
direction
• Takes place between elements
with small differences in
electronegativity and close by
in periodic table.

• In Hydrogen, a bond is formed by sharing their 1s1

electrons Electron
Pair H H
H + H H H Overlapping Electron Clouds

1s1 Hydrogen
Electrons Molecule
2-22
 21

Covalent Bond-Bonding Energy

A B
U N
= − m
+ n
r r
Attraction Repulsion
Energy Energy

Energy Energy
Released Absorbed
ro
H H

2-22
 22

Covalent Bonding - Examples

• Fluorine gas (Outer orbital – 2s2 2p5) share one p electron to
attain noble gas configuration.

F + F F F F F
H Bond Energy=160KJ/mol
• Oxygen (Outer orbital - 2s2 2p4) atoms share two p electrons

O + O O O O=O
Bond Energy=28KJ/mol
• Nitrogen (Outer orbital - 2s2 2p3) atoms share three p electrons

HH
N + N N N N N
Bond Energy=54KJ/mol
 23

Structure of Diamond
• Four sp3 orbitals are directed symmetrically toward
corners of regular tetrahedron.
• This structure gives high hardness, high bonding
energy (711KJ/mol) and high melting temperature
(3550oC).

Carbon Atom Tetrahedral arrangement in diamond

 24

Carbon Containing Molecules

• In Methane, Carbon forms four covalent bonds with
Hydrogen.
• Molecules are very weakly
bonded together resulting
Methane
in low melting temperature molecule
o
(-183 C). 甲烷

• Carbon also forms bonds with itself.

• Molecules with multiple carbon bonds are more
reactive. H H
¾ Examples:-
C C H C C H
H H Acetylene
Ethylene 乙炔
乙烯
 25

Metallic Bonding
• Relatively large inter-atomic forces are created by
the sharing of electrons to form nondirectional
bonding between atoms
• Loosely bounded valence electrons are attracted
towards nucleus of other atoms.
• Electrons spread out among atoms forming electron
clouds. Positive Ion
• These free electrons are
reason for electric
conductivity and ductility
• Since outer electrons are
shared by many atoms,
metallic bonds are
Non-directional Valence electron charge cloud
 26

Metallic Bonds (Cont..)

• Overall energy of individual atoms are lowered by
metallic bonds
• Minimum energy between atoms exist at equilibrium
distance r0
• Fewer the number of valence electrons involved,
more metallic the bond is.
¾ Example:- Na Bonding energy 108KJ/mol,
Melting temperature 97.7oC
• Higher the number of valence electrons involved,
higher is the bonding energy.
¾ Example:- Ca Bonding energy 177KJ/mol,
Melting temperature 851oC

2-29
 27

Secondary Bonding
• Secondary bonds are due to attractions of electric
dipoles in atoms or molecules.
• Dipoles are created when positive and negative
charge centers exist.

Dipole moment=μ =q.d

+q -q
q= Electric charge
d = separation distance
d
• There are two types of bonds permanent and
fluctuating.
2-30
 28

Fluctuating Dipoles
• Weak secondary bonds in noble gasses.
• Dipoles are created due to asymmetrical distribution
of electron charges.
• Electron cloud charge changes with time.

Symmetrical Asymmetrical
distribution Distribution
of electron charge (Changes with time)
 29

Permanent Dipoles
• Dipoles that do not fluctuate with time are
called Permanent dipoles.

¾ Examples:- Symmetrical No Dipole

CH4 Arrangement moment
Of 4 C-H bonds

Asymmetrical
Creates
CH3Cl Tetrahedral
Dipole
arrangement
 30

Hydrogen Bonds

• Hydrogen bonds are Dipole-Dipole interaction

between polar bonds containing hydrogen atom.
(Hydrogen is covalently bonded to F, O or N
atoms)
¾ Example :-
™ In water, dipole is created due to asymmetrical
arrangement of hydrogen atoms.
H
™ Attraction between positive oxygen pole and
negative hydrogen pole.
105 0
O

H Hydrogen
Bond
 31

van der Waals bonds

• Fluctuation-induced dipole bonds
– Charge on atom in motion being re-
distributed
– Electric dipole
– Induced electric dipole
• Polar molecule induced dipole bonds
– Neutral atoms form dipole
• Permanent dipole bonds: HCl

Van der Waal bonds

A B
U N
= − 6
+ n
n ≈ 12
r r
Attraction Repulsion
Energy Energy
 32

Architecture of solids

• Single crystals
– The arrangement of atom is regular and repeated in
3D pattern throughout the entirety of the crystalline
solid without interruption
• Poly-crystals
– Solids consisting of many crystals or grains, divided
by grain boundaries, where two grains meet
• Amorphous (Non-crystalline)
– Solids lack a systematic, repeated and regular arrangement of
atoms
– Heat treatment usually would transform a random structure to an
ordered state
 33

The Space Lattice and Unit Cells

• Atoms or ions are arranged in repetitive 3-

Dimensional pattern, in long range order give rise to
crystal structure.
• Properties of solids depends upon crystal structure
and bonding force.
• An imaginary network of lines, with atoms at
intersection of lines, representing the arrangement
of atoms is called space lattice.
Space Lattice

Unit Cell
3-2
 34

Atomic hard sphere model

– Lattice: a three-dimensional array of points
coinciding with atomic sphere centers
– Unit cell: a small repeat entity representing the
symmetry of the crystal structure
– Coordination number (Z): the number of nearest-
neighbor atoms surrounding each atom in a
crystal structure
– Atomic packing factor (APF): the volume fraction
of atomic spheres in a unit cell
– d-spacing: distance between lattice planes
 35

Crystal Systems and Bravais Lattice

3-3
 36

Principal Metallic Crystal Structures

• 90% of the metals have either Body Centered Cubic

(BCC), Face Centered Cubic (FCC) or Hexagonal
Close Packed (HCP) crystal structure.

BCC Structure FCC Structure HCP Structure

3-7
 37

Body Centered Cubic (BCC) Crystal

Structure
• Represented as one atom at each corner of cube and
one at the center of cube.
• Each atom has 8 nearest neighbors.
• Therefore, coordination number is 8.

3-8
 38

BCC Crystal Structure (Cont..)

• Each unit cell has eight 1/8
atom at corners and 1
full atom at the center.
• Therefore each unit cell has

(8x1/8 ) + 1 = 2 atoms

• Atoms contact each

other at cube diagonal
Therefore, lattice 4 R
constant a =
3
3-9
 39

Atomic Packing Factor of BCC Structure

Volume of atoms in unit cell
Atomic Packing Factor =
Volume of unit cell

⎛ 4 ΠR 3 ⎞
Vatoms = 2.⎜ ⎟ = 8.373R3
⎜ ⎟
⎝ 3 ⎠
3
⎛ 4R ⎞
V unit cell = a3 = ⎜ ⎟ = 12.32 R3
⎜ ⎟
⎝ 3⎠

8.723 R 3
Therefore APF = 12.32 R3 = 0.68

3-10
 40

Face Centered Cubic (FCC) Crystal

Structure
• FCC structure is represented as one atom each at
the corner of cube and at the center of each cube
face.
• Coordination number for FCC structure is 12
• Atomic Packing Factor is 0.74
• Examples :-
¾ Aluminum (a = 0.405)
¾ Gold (a = 0.408)
 41

FCC Crystal Structure (Cont..)

• Each unit cell has eight 1/8
atom at corners and six ½
atoms at the center of six
faces.
• Therefore each unit cell has

(8 x 1/8)+ (6 x ½) = 4 atoms

• Atoms contact each other

across cubic face diagonal
Therefore, lattice 4R
constant a =
3-12 2
 42

Atomic Packing Factor of FCC Structure

Volume of atoms in unit cell
Atomic Packing Factor =
Volume of unit cell

⎛ 4Π R 3 ⎞
Vatoms = 4⋅⎜ ⎟ = 16.755R3
⎝ 3 ⎠

3
V unit cell = a3 = ⎛ 4R ⎞
⎜ ⎟ = 22.63 R3
⎝ 2⎠

16.755 R 3
Therefore APF = 22.63 R3 = 0.74

3-10
 43

Hexagonal Close-Packed Structure

• The HCP structure is represented as an atom at
each of 12 corners of a hexagonal prism, 2 atoms at
top and bottom face and 3 atoms in between top and
bottom face.
• Atoms attain higher APF by attaining HCP structure
than simple hexagonal structure.
• The coordination number is 12, APF = 0.74.

3-13
 44

HCP Crystal Structure (Cont..)

• Each atom has six 1/6 atoms at each of top and

bottom layer, two half atoms at top and bottom layer
and 3 full atoms at the middle layer.
• Therefore each HCP unit cell has
(2 x 6 x 1/6) + (2 x ½) + 3 = 6 atoms
• Examples:-
¾ Zinc (a = 0.2665 nm, c/a = 1.85)
¾ Cobalt (a = 0.2507 nm, c.a = 1.62)

• Ideal c/a ratio is 1.633.

3-14
 45

Atomic Packing Factor of HCP Structure

Volume of atoms in unit cell
Atomic Packing Factor =
Volume of unit cell

4 R=??a
Vatoms = 6( π R 3 ) =??
3

1 3 3 2
V unit cell = 6( a 2 sin 60o ) ⋅ c = ac c=1.633a
2 2

Therefore APF = = 0.74

3-10
 46

Atom Positions in Cubic Unit Cells

• Cartesian coordinate system is use to locate atoms.

• In a cubic unit cell
¾ y axis is the direction to the right.
¾ x axis is the direction coming out of the paper.
¾ z axis is the direction towards top.
¾ Negative directions are to the opposite of positive
directions.
• Atom positions are
located using unit
distances along the
axes.

3-15
 47

Directions in Cubic Unit Cells

• In cubic crystals, Direction Indices are vector
components of directions resolved along each axes,
reduced to smallest integers.
• Direction indices are position coordinates of unit cell
where the direction vector emerges from cell surface,
converted to integers.

3-16
 48

Direction Indices - Example

• Determine direction indices of the given vector.
Origin coordinates are (3/4 , 0 , 1/4).
Emergence coordinates are (1/4, 1/2, 1/2).

(3/4 , 0 , 1/4) - (1/4, 1/2, 1/2)

= (-1/2, 1/2, 1/4)

reduced to smallest integers

4 x (-1/2, 1/2, 1/4) = (-2, 2, 1)

Therefore, the direction indices are ⎡ 2

⎣ 2 1⎤⎦
3-18
 49

Miller Indices in Cubic Unit Cells

• Miller Indices are are used to refer to specific lattice
planes of atoms.
• They are reciprocals of the fractional intercepts
(with fractions cleared) that the plane makes with the
crystallographic x,y and z axes of three nonparallel
edges of the cubic unit cell.
Miller Indices =(111)
z

y
x x
3-19
 50

Miller Indices - Examples

z
• Intercepts of the plane at
(100) x,y & z axes are 1, ∞ and
y ∞
• Taking reciprocals we get
x
x (1,0,0).
• Miller indices are (100).
*******************
• Intercepts are 1/3, 2/3 & 1.
• taking reciprocals we get
(3, 3/2, 1).
• Multiplying by 2 to clear
fractions, we get (6,3,2).
3-21 • Miller indices are (632).
 51

Miller Indices - Examples

• Plot the plane (101)

Taking reciprocals of the
indices we get (1 ∞ 1).
The intercepts of the plane are
x=1, y= ∞ (parallel to y) and z=1.
******************************
• Plot the plane (2 2 1)
Taking reciprocals of the
indices we get (1/2 1/2 1).
The intercepts of the plane are
x=1/2, y= 1/2 and z=1.

3-22
 52

Miller Indices - Example

• Plot the plane (110)
The reciprocals are (1,-1, ∞)
The intercepts are x=1, y=-1 and z= ∞ (parallel to z
axis) (110)
To show this plane in a
z
single unit cell, the
origin is moved along
the positive direction
of y axis by 1 unit. y

x
3-23
 53

Miller Indices – Important Relationship

• Direction indices of a direction perpendicular to a
crystal plane are same as miller indices of the plane.
z
• Example:-

{110} (110)
y

• Interplanar spacing between parallel closest planes

with same miller indices {h k l} is given by
a
d hkl
=
+ +
2 2 2
3-24 h k l
 54

Crystallographic directions and planes

• A crystallographic direction is
defined as a vector between two
lattice sites. Indices are vector
components of direction reduced
to smallest integer.
• Miller indices for cubic crystals
– (1,0,0) plane
– {1,0,0} plane family
– [1,0,0] direction
– <1,0,0> direction family
• Planes and directions of cubic
crystals having the same indices
are perpendicular to one another.

Ref: Ashby and Jones, 1980.

 55

Structural Difference between HCP and

FCC
Plane A
Consider a layer ‘a’ void
of atoms (Plane ‘A’) ‘b’ void

Plane A
Another layer (plane ‘B’) Plane B
of atoms is placed in ‘a’ ‘a’ void
Void of plane ‘A’ ‘b’ void

Third layer of Atoms placed Third layer of Atoms placed

in ‘b’ Voids of plane ‘B’. (Identical in ‘a’ voids of plane ‘B’. Resulting
to plane ‘A’.) HCP crystal. In 3rd Plane C. FCC crystal.

Plane A Plane A
Plane B Plane B
Plane A Plane C
3-29
 56

Volume Density
• Volume density of metal = ρ =
Mass/Unit cell
v Volume/Unit cell

• Example:- Copper (FCC) has atomic mass of 63.54

g/mol and atomic radius of 0.1278 nm.
= 4 × 0.1278 nm = 0.361 nm
4R
a=
2 2
Volume of unit cell = V= a3 = (0.361nm)3 = 4.7 x 10-23 cm3
FCC unit cell has 4 atoms.
(4atoms )(63.54 g / mol )
Mass of unit cell = = 4.22 x 10-22 g
6 × 10 atmos / mol
23

3-30
ρ v
m 4.22 ×10−22 g
= = −23
V 4.7 ×10 cm 3
g
= 8.98 3
cm
 57

Volume Density, cont’d

• Volumetric (material) density (ρ):

nA
ρ=
Vc N A

n: number of atoms associated with each unit cell

A: atomic weight
Vc: volume of the unit cell
NA: Avogadro’s number (6.023 x 1023 atoms/mol)
 58

Planar Atomic Density

areas of atoms whose centers

• Planar atomic density= ρ p =

are intersected by selected area

Selected area

• Example:- In Iron (BCC, a=0.287), The (110) plane

intersects center of 5 atoms (Four ¼ and 1 full atom).
¾ Equivalent number of atoms = (4 x ¼ ) + 1 = 2 atoms
Area of 110 plane = 2a × a = 2a 2

2 (π R 2 ) 2 (π R 2 )
ρ p
=
2a 2
=
⎛ 4R ⎞
2
= 0.833
2⎜ ⎟
Figure 3.22 a&b ⎝ 3⎠

3-31
 59

Linear Atomic Density

length of atomic diameters

ρ
intersected by selected length
• Linear atomic density = l =
of line in direction of interest
Selected length of line
• Example:- For a FCC copper crystal (a=0.361), the
[110] direction intersects 2 half diameters and 1 full
diameter.
¾ Therefore, it intersects ½ + ½ + 1 = 2 atomic diameters.

Length of line = 2 × 0.361nm

ρ l
=
2(2 R)
=
4R
4 R
=1
2a 2
2
3-32
 60

Planer Density and Linear Density

• Linear atomic density (LD): the fraction of line length in a

particular crystallographic direction that passes through
atom centers.
2R
EX: BCC along [110] LD =
2a
• Planer atomic density (PD): the fraction of total
crystallographic plane area that is occupied by atoms.
The plane must pass through an atom’s center for the
particular atom to be included.
⎛1 ⎞ 2
EX: BCC on (100) ⎜ × 4 ⎟π R
PD = ⎝ 4 ⎠
a×a
 61

Density, cont’d
• Density of materials depend on (1) packing
and (2) mass and size of atoms
• Metals
– Heavy atoms and closely packed
• Ceramics
– Light atoms and closely packed
• Polymers
– Light atoms and randomly packed
 62

Polymorphism or Allotropy
• Metals exist in more than one crystalline form. This
is caller polymorphism or allotropy.
• Temperature and pressure leads to change in
crystalline forms.
• Example:- Iron exists in both BCC and FCC form
depending on the temperature. Liquid
Iron

-2730C 9120C 13940C 15390C

α Iron γ Iron δ Iron

BCC FCC BCC

3-33
 63

Polymorphism, cont’d
Ex: Calculate the theoretical volume change accompanying
a polymorphic transformation in a pure metal from the
FCC to BCC crystal structure. Assume there is no
change in atomic volume before and after the transformation

4R In BCC, a =
4R
Sol : In FCC,
a= 3
2
Volume per atom Volume per atom
3 3
a3 1 ⎛ 4 R ⎞ a3
1 ⎛ 4R ⎞
= = ⎜ = 3
VBCC = = ⎜ = 3
4 4 ⎝ 2 ⎟⎠
VFCC 5.66 R
2 2 ⎝ 3 ⎟⎠
6.16 R

Assume no change in atomic radius

The change in volume is ΔV VBCC − VFCC
= = 8.8%
VFCC VFCC
 64

Physical Basis of elastic modulus

dU
F=
dr
r
The stiffness of the bond is given by

dF d 2U
S= = 2
dr dr
For small a-ao, F is approximately
proportional to a-ao
r
F = So ( r − r0 ) at r~ro

d 2U
where So = S r ≈ r = 2
o
dr r ≈ ro

r
 65

Physical Basis of elastic modulus, cont’d

Imagine a solid held together by these little springs (atomic
bonding) as shown by r

Number of bonds 1x1

=N= 1
Per unit area ro 2
σ σ

If the two planes are pulled apart a distance a-ao, the1total

force per unit area (stress) needed is
So ( r − r0 ) So ⎛ r − ro ⎞
σ = NF = NSo ( r − r0 ) = 2
= ⎜ ⎟
ro r0 ⎝ ro ⎠
r − r0
Let ε= Estimated elastic modulus
r0 σ So
E= =
ε r0
 66

Example: atomic potential

Given:
(a) The potential energy U of the atoms a distance r apart.
(b) m = 10, n = 2.
(c) The equilibrium position between two atoms, r0 = 0.3 nm.
(d) Minimum energy is Umin = - 4 eV
A B
U (r ) = − +
rn rm

Find:
(a) A and B?
(b) Elastic modulus E around r0?

Note : 1 eV = 1.6 x 10-19 J.