Srinadh18560-ES312 Assignment 1

Assignment-1
M.Srinadh
18XJ1A0560
1) Chemical Bonding:
 Bonding happens if and only if there are two or more atoms come into close.
 If distance is equal to Bond-Length then the Energy minimum is observed.
 If the distance decrease, total energy decreases and become stabilizes.
Types of Chemical Bonding:

a) Ionic Bonding:
These are formed by loss or gain of electrons. The metal atoms will lose electron to from
cations and nonmetals atoms will gain electrons to form anions.
 There will be transfer of one or more electrons from outer most shell.
 These are Non-directional Bonds.
 Ions are charged particles
Cations are positive ions
Anions are negative ions.
Characteristics:
 Solid at room temperature.
 Have both melting and boiling points higher compared to covalent compounds.
 Conduct electrical current in only molten or solution state but not in the solid state.
 It is soluble only in water but not in organic solvent.
Example:
Na [2,8,1] → Na^+ [2,8] ^+ Na^+ is Metal cation
Cl [2,8,7] → Cl^- [2,8,8] ^- Cl^- is Nonmetal anion
Here the sodium atom loses an electron from outer shell to form Na^+ ion and a Chlorine
atom gains that electron to form Cl^- ion. There is an attraction in between Na^+ and Cl^- ions.
b) Covalent Bonding:
Polar covalent bonds are formed by sharing of unequal electrons whereas nonpolar
covalent bonds are formed by sharing equal electrons.
It is the bond formed by sharing a pair of electrons. So both atoms will be together by
sharing a pair of electrons.
 The Energy minimization by sharing outer element or overlapping orbitals.

 The are no ionization bonds are directional.
Characteristics:
 It exists as solids, liquid or gas.
 Melting and boiling points are low.
 Do not conduct electricity.
 It is soluble in organic solvents but not in water.
Examples:
Polar covalent bonds: H2O, CO2, CH4, C2H4…………
Nonpolar covalent bonds: H2, Cl2, Br2……….
c) Metallic Bonding:
This bind occurs in metals. If 2 metal atom comes closer both have tendency to donate
electrons. Charged ions neutralize repulsive forces between mobile delocalized
electrons.
 It is called as unsaturated covalent bond.

 It is weaker than ionic bonds.
Characteristics:
 High melting and boiling points.
 Good conductor for heat and electricity.
 It is insoluble in both water and organic solution.
 It is malleable and ductile solids.
Examples:
Iron, cobalt, silver, gold, zinc, copper…..
2) Pair potentials:
Pair potential is a function that describes about the potential energy of two interacting objects.
Like Coulomb’s law in electrodynamics, Newton’s law of universal gravitation in mechanics, the
Lennard-Jones potential and the Morse potential.
3) Difference between crystalline and non-crystalline:

a) Crystalline:
 It has an ordered structure.
 Have sharp melting point.
 It has definite heat of fusion.
 Anisotropic since their physical properties are different in different directions.
 It has covalent bonds, ionic bonds and metallic bonds.
 These are true solids.
 Crystalline are long range order.
Examples:
Iron, diamonds, ice, salt……….
b) Non-crystalline:
 It do not have an ordered structure.
 Have no sharp melting point.
 It has no characteristic heat of fusion.
 Isotropic since they have the same physical properties in all directions.
 It has covalently bonded networks.
 These are pseudo solid.
 Non-Crystalline are short range order.
Examples:
Amorphous silicon, plastics, glasses………
 As we know amorphous doesn’t have that long-range. With a solid – if you grab it, it holds its
shape, but when glass is made, the material is quickly cooled from its liquid state but doesn’t solidify
when its temperature drops below its melting point. Glass can be widely defined as an amorphous
solid. An amorphous solid can be considered as random arrangement of atoms, such as observed in
a gas, but more realistically can considered to only lack long-range order such as those found in
crystalline solids.
4) Crystalline State of solids:

a) Lattices:
Single point represents every atom, ions and molecules.
Lattice -> how to repeat
b) Lattices point:
Particular point is called as lattices point. Points join one to other to form lattice.
c) Unit cell:
It is the smallest part of crystal that can be repeated to form the entire crystal is
known as unit cell.
d) Motif:
The atom or a group of atoms associated with each lattice point.
Motif -> what to repeat
Bravais Lattices:
The infinite array of discrete point with an arrangement and orientation that appear
exactly the same.
5) Point coordinates:
It is difficult to present a 3D schematic of the different atomic positions in a unit cell.
a) BCC unit cell point coordinates: (0,0,0); (0,1/2,0); (1/2,0,0); (0,0,1/2)
b) FCC unit cell point coordinates: (0,0,0,); (0,1/2,1/2); (1/2,0,1/2); (1/2,1/2,0)

6) Atomic packing fraction:
It is the fraction of volume occupied by the atoms in a unit cell, compared to the total
available volume of the unit cell.
Packing fraction of BCC unit cell:
7) Miller indices for each plane:

a) (1, 0, -1)
b) (2, -1, 1)
c) (0, 1, 2)
d) (3, -1, 3)
e) (-1, 1, -1)
f) (-2, 1, 2)
g) (3, -1, 2)
h) (3, 0, 1)
8) Miller planes diagrams:

9) Angle between the miler directions:
The miller directions are vectors and we can find the angle between them by using
the formula of angle between the two vectors.
10) Linear Density:
It is ratio of number of atoms per length whose centers lie on the direction vector for a
specific crystallographic direction.
Linear Density =Number of atoms centered on direction vector/

Length of direction vector
Planar Density:
It is ratio of number of atoms per unit area that are centered on a particular
crystallographic plane.
Planar Density = Number of atoms centered on a plane/

Area of the plane

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Assignment-1

Types of Chemical Bonding:

cations and nonmetals atoms will gain electrons to form anions.

Na [2,8,1] → Na^+ [2,8] ^+ Na^+ is Metal cation

Cl [2,8,7] → Cl^- [2,8,8] ^- Cl^- is Nonmetal anion

 The Energy minimization by sharing outer element or overlapping orbitals.

Polar covalent bonds: H2O, CO2, CH4, C2H4…………

Nonpolar covalent bonds: H2, Cl2, Br2……….

 It is called as unsaturated covalent bond.

Iron, cobalt, silver, gold, zinc, copper…..

3) Difference between crystalline and non-crystalline:

Iron, diamonds, ice, salt……….

Amorphous silicon, plastics, glasses………

4) Crystalline State of solids:

Lattice -> how to repeat

Motif -> what to repeat

a) BCC unit cell point coordinates: (0,0,0); (0,1/2,0); (1/2,0,0); (0,0,1/2)

b) FCC unit cell point coordinates: (0,0,0,); (0,1/2,1/2); (1/2,0,1/2); (1/2,1/2,0)

Packing fraction of BCC unit cell:

7) Miller indices for each plane:

8) Miller planes diagrams:

Linear Density =Number of atoms centered on direction vector/

Planar Density = Number of atoms centered on a plane/

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