1. Why the study of crystal structure is important?

Ans: Crystal structure significantly influences the properties of

materials. By understanding the arrangement of atoms or ions in
a crystal lattice, researchers can predict and manipulate
properties such as mechanical strength, electrical conductivity,
thermal conductivity, magnetism, and optical behavior. This
knowledge is crucial for developing materials with desired
properties for specific applications. For example, the
semiconductor industry relies heavily on crystallography to
design and manufacture integrated circuits. The precise
arrangement of atoms in semiconductors determines their
electrical properties, which in turn affects the performance of
electronic devices. In pharmaceuticals, understanding the crystal
structure of molecules is vital for drug design. Knowing the
precise arrangement of atoms in a drug molecule and how it
interacts with a target protein helps in developing more effective
drugs with fewer side effects. And that’s just two of the fields
out of all the reasons why the study of crystal structure is
important.

2. Write short notes on Crystal and Amorphous.

Ans: Crystal: Crystals have a highly ordered and repeating
three-dimensional atomic or molecular structure. Their ordered
arrangement leads to distinct properties like well-defined edges
and faces and unique optical properties. Crystals melt at a
specific, well-defined temperature, characteristic of the material.
Common examples include diamond, quartz, and table salt
(NaCl).

Amorphous (Structure): Amorphous materials lack long-range

order in their atomic or molecular arrangement; their structure is
disordered. Amorphous substances exhibit diverse properties,
often not as well-defined as crystals, with irregular surfaces and
no cleavage planes. They don't have a sharp melting point but
gradually soften over a range of temperatures. Common
examples include glass, some plastics, and certain polymers.

3. Explain atomic packing factor.

Ans: In crystallography, atomic packing factor (APF) or packing

fraction is the fraction of volume in a crystal structure that is
occupied by atoms. It is dimensionless and always less than
unity. For practical purposes, the APF of a crystal structure is
determined by assuming that atoms are rigid spheres. The radius
of the spheres is taken to be the maximal value such that the
atoms do not overlap. It is defined as the ratio of the actual
volume occupied by the spherical atoms to the total available of
the structure. It is also known as relative packing density,
efficiency or packing fraction. The formula is:
APF= Volume occupied by the sphere in unit cell/Volume of the
unit cell

6. Calculation of lattice constant

Ans: Lets say the lattice constant is a of the cubic unit cell and
the space lattice is 3C. Thus, the lattice constant is given by the
formula
a=[2r]
If the space lattice is FCC the lattice constant is=[4 x r/(2)^1/2]
If the space lattice is BCC the lattice constant is=[2 x r/(3)^1/2]

7. State and Explain Bragg’s Law.

Ans: When the X-ray is incident onto a crystal surface, its angle
of incidence, θ, will reflect with the same angle of scattering, θ.
And, when the path difference, d is equal to a whole number, n,
of wavelength λ, constructive interference will occur. Then
according to Braag’s law
8. Deduce Bragg’s law of crystallographic diffraction.
Ans:
12. What is meant by crystal defect? Explain Vacancy,
Interstitial, Shottky and Frenkel defects.

Ans:

(The four kinds of defects mentioned are variations of point

defect, which is when the atoms in a crystal gets displaced either
by getting removed or replaced)
Vacancy Defect:
Interstitial Defect:

Shottky Defect:
Frenkel Defect:

(Note: Vacancy is missing, Interstitial is replacing the

missing with outside atoms (opposite of vacancy), Shottky is
equal amount of cations and anions missing, Frenkel is
cation moving out of its place and creates vacancy defect in
original position while interstitial defect created on the new
position)

13. Explain Metal, Insulator and Semiconductor in terms of

band theory.
Ans:
Metals: The valence (outermost electrons) are loosely bound to
parent atoms. Significant overlap between valence and
conduction band. Valence and Conduction band partially filled,
electrons on valence can travel easily on conduction creating
electric current. Present of free electrons in the conduction band
makes metals very good conductors of electricity.
Insulators: Forbidden energy/band gap between valence and
conduction band. Valence band full, conduction band empty or
rarely have electrons. Energy required to move electrons from
valence to conduction is very high. Hence insulators are not
good conductors of electricity since few or no electrons on
conduction band.
Semiconductors: Small energy gap between valence and
conduction band. At 0k(absolute zero temperature) valence band
full, conduction empty. As temperature increases, some
electrons slowly gain energy to move from valence to
conduction band. This creates charge carriers and allows flow of
electricity. Unlike metals semiconductors don’t conduct
electricity as much but it can be increased with doping or
applying external electric field.

14. Why X-ray is used in crystal Diffraction?

Ans: Wavelength Matching: X-rays have wavelengths similar
to atomic spacings in crystals, enabling detailed structural
analysis through diffraction.
High Energy: X-rays possess the energy needed to penetrate
deep into materials, including crystals, allowing for internal
structural examination.
Small Scattering Angles: Due to their short wavelength, X-rays
produce well-defined diffraction patterns with small scattering
angles, facilitating precise structural analysis.
Non-Destructive: X-ray diffraction is non-destructive, making
it suitable for studying delicate materials without causing harm.
High Resolution: X-ray diffraction provides high-resolution
data, revealing atomic positions within the crystal lattice.
Versatility: X-ray diffraction is versatile and applicable to
various materials and fields, from chemistry to biology.
Quantitative Data: Experiments yield quantitative information
for determining crystallographic parameters.
Applications: X-ray diffraction is used for determining crystal
structures, identifying phases, and studying materials in multiple
scientific disciplines.

15. What are Miller Indices? Write down the steps involved in
expressing Miler Indices.
Ans: Miller Indices are a notation system used in
crystallography to describe the orientation of crystallographic
planes and directions within a crystal lattice. They are used to
specify crystallographic planes. In particular, Crystallographic
plane is determined by three integers h, k, and ℓ, the Miller
indices. They are written (hkℓ).
Steps to express Miller Indices:
Identify the intercepts: Start by determining the intercepts (i.e.,
the points where the plane intersects the crystallographic axes)
in terms of lattice points. Consider the lattice points along the x,
y, and z axes where the plane crosses them. If the plane does not
intersect an axis, its intercept is considered infinite, and we
represent it as "0."
Take the reciprocals: Take the reciprocals of the intercepts. If
the intercept is zero, write it as "∞" (infinity).
Simplify: If necessary, simplify the reciprocals to the smallest
integer values while maintaining their ratios.
Enclose in parentheses: Enclose the resulting numbers in
square brackets or parentheses like (hkl), and write the indices
as small integers, typically without a common factor. If
negative, denote it with a bar above the index.
17. Explain Isothermal and Adiabatic processes.

Ans:

18. State and explain 1st law of thermodynamics. Write down the
applications of the law.
Ans:
Applications:
Heat Engines: The First Law is fundamental to the operation of
heat engines, such as internal combustion engines and steam
engines. It governs the conversion of heat energy into
mechanical work.
Thermal Analysis: In calorimetry and thermal analysis, the
First Law is used to determine the heat capacity, specific heat,
and enthalpy changes of substances.
Chemical Reactions: It plays a crucial role in chemical
thermodynamics, helping to predict and explain the heat changes
(enthalpy changes) that occur during chemical reactions. This is
vital in fields like chemistry and chemical engineering.
Economics and Industry: It is used in the optimization of
industrial processes, energy management, and the design of
energy-efficient systems to reduce costs and environmental
impact.
Thermal Power Plants: Power generation in thermal power
plants relies on the principles of the First Law to convert thermal
energy from combustion processes into electricity.
Refrigeration and Cooling Systems: In refrigeration and
cooling systems, the law governs the transfer of heat from a low-
temperature region (inside the refrigerator) to a higher-
temperature region (outside) by consuming energy in the form
of work.

23. Why root mean square velocity is calculated rather than

mean velocity in case of gas?
Ans:

24. Deduce the relationship between Crms and Pressure and

Temperature from kinetic theory of gas.

Ans:

27. Explain Cp and Cv. Calculate the ratio Cp/Cv for

monoatomic, diatomic and polyatomic gas.
Ans:
28. What is meant by mean free path?

Ans: The mean free path is a concept used in the kinetic theory
of gases to describe the average distance traveled by a gas
molecule between successive collisions with other molecules. In
simpler terms, it represents the average distance a gas molecule
moves before it encounters another molecule and undergoes a
collision. The mean free path (λ) can be calculated using the
following equation:
λ = (1 / √2) * (1 / π * d^2 * N)
Where:
λ is the mean free path.
d is the diameter of the gas molecules.
N is the number of gas molecules per unit volume (number
density).

29. Write down the difference between reversible and

irreversible process.

Ans:

30. Explain Carnot’s cycle and efficiency of Carnot’s engine.

Ans: A cyclic process in which a working substance starting
from a given initial condition of temperature, pressure and
volume is made to undergo two successive expansions (one
isothermal and another adiabatic), and then two successive
compressions (one isothermal and another adiabatic), and then
brought back finally to its original condition, is called Carnot’s
cycle.
The efficiency of a Carnot engine is defined as the ratio of the
mechanical work done during a cycle to the heat supplied during
the cycle.

32. Explain Entropy.

Ans:
33. Draw the Carnot’s cycle in P-V diagram and then transfer it
to T-S diagram and explain it.

Ans:
Explanation on T-S diagram:

36. Explain Helmoltz’s and Gibb’s function.

Ans: Helmholtz's Free Energy (A):
Helmholtz's free energy, often denoted as "A," is a
thermodynamic potential that represents the maximum
reversible work that can be extracted from a closed system at
constant temperature and volume. It is particularly useful for
systems held at constant temperature and volume, such as
chemical reactions in a closed container.

The formula for Helmholtz's free energy is:

A=U-TS
A is the Helmholtz free energy.
U is the internal energy of the system.
T is the absolute temperature of the system in kelvin.
S is the entropy of the system.

Gibbs Free Energy (G):

Gibbs free energy, often denoted as "G," is another
thermodynamic potential that takes into account both the
temperature and pressure of a system. It represents the
maximum reversible work that can be extracted from a closed
system at constant temperature and pressure.
The formula for Gibbs free energy is:
G=H-TS
G is the Gibbs free energy.
H is the enthalpy of the system.
T is the absolute temperature of the system in kelvin.
S is the entropy of the system.

Math formulas: