Page 162 - Handbook Bachelor Degree of Science Academic Session 20202021

Faculty of Science Handbook, Session 2019/2020

SIC3017 COMPOSITE MATERIALS •Formalism: Classical wave equation. Schrödinger,
Heisenberg and Dirac representations. Dirac notation.
Theory of composites Ladder-operator. Fourier coefficients. Pauli antisymmetric
Introduction, origin of reinforcement, properties comparison principle. Pauli matrices. Hilbert space. Unitary
between reinforced and unreinforced materials. transformations. Virial theorem. Hellmann-Feynman
theorem. Electrostatic theorem.
Mechanical properties of composites •Angular momentum theory: Coupling of two and more
Cox shear-lag analysis, prediction of longitudinal Young’s angular momentum vectors. Angular momentum operators.
modulus of aligned fibre composites, computation of Eigenvalues and angular momentum wave functions.
Young’s modulus of composite with complex fibre, high Vector model. Clebsch-Gordan coefficients and 3-j
extension mechanical properties, Kelly-Tyson model, symbols. Wigner-Witmer rules. Generators of infinitesimal
computation of fracture strength. rotations. Euler angles. Direction cosine matrix elements.
Space-fixed and molecule-fixed frames. Rotation matrices.
Formation process for composite structure Spherical harmonic addition theorem. . Clebsch-Gordan
Injection moulding, extrusion, compression moulding, series and its inverse. Integral over products of rotation
pultrusion, etc. Machine structure, operating principle, matrices. 6-j and 9-j symbols. Rotational energy levels of a
products, etc. free radical. Energy levels of atoms with two valence
electrons. Angular distribution of rigid rotor.
Assessment Methods: •Ab initio and density-functional theories: Restricted and
Continuous assessment: 40% unrestricted Hartree-Fock. Moller-Plesset perturbation
Final examination: 60% theory. Coupled-cluster method. Density-functional theory.
Hohenberg-Kohn theorem. Kohn-Sham method. Local-
Medium of instruction: density approximation. Functionals. Composite methods.
English Relativistic effects. Electronic structure calculations and
molecular properties (intrinsic, electric, magnetic etc.).
References: •Basic special relativity: Inertial frames and Newtonian
1. L. E. Nielsen, Mechanical Properties of Polymers and mechanics. Relativistic coordinate transformations.
Composites, Marcel Dekker, New York, 1993. Transformation of lengths and relativistic invariants.
2. D. Hull, An Introduction to Composite Materials, Cambridge Transformation of velocities. Transformation of mass.
University Press, Cambridge, 1981. Relativistic energy. Relativistic momentum. Relativistic
3. B. Harris, Engineering Composite Materials, The Institute of electromagnetic interactions. Maxwell equations. Potentials
Metals, London, 1986. and gauge transformations. Relativistic potential.
rd
4. R. J. Crawford, Plastics Engineering, 3 ed., Butterworth- •Relativistic quantum theory: Klein-Gordon equation.
Heinemann, 1998. Charge conjugation. Energy-momentum tensor.
Quantization of the nonrelativistic Hamiltonian. Spin in the
nonrelativistic Hamiltonian. Time-independent Dirac
SIC3018 SPECIAL TOPICS IN CHEMISTRY equation. Covariance. Dirac wave function. Four-current
density. Nonrelativistic limit. Negative-energy states and
Introduction to recent research areas, literature survey, quantum electrodynamics. Second quantization.
synthesis of various types of donor ligands, synthesis of Relativistic second-quantized Hamiltonians. Definition of
metal complexes, introduction to macromolecules, vacuum. Electron–electron interaction, Lamb shift.
introduction to co-crystals, crystal engineering Separation of variables in Dirac equation. Angular wave
functions. Solutions of radial Dirac equation. Nuclear
Chemical characterization techniques: physical and models. Approximations to Dirac equation. Pauli
chemical methods. Hamiltonian. Breit–Pauli Hamiltonian. Direct perturbation
Elemental composition by CHNS elemental analysis theory. Electronic structure calculations and molecular
Elemental composition by AAS and UV-Vis properties (intrinsic, electric, magnetic etc.).
Characterization by FT-IR spectroscopy
Characterization by FT-NMR spectrometry (Choose either Quantum scattering theory or Photon
Characterization by Thermal analysis induced molecular processes)
Characterization by magnetic susceptibility measurement •Quantum scattering theory: Time-dependent scattering
Characterization by X-ray diffraction theory. Moller operator. Scattering operator. Time-
independent scattering theory. Green’s function. Lippmann-
Assessment Methods: Schwinger equation. S matrix. Distorted wave. Elastic
Continuous assessment: 30% scattering. Radial Schrödinger equation. Free radial
Final examination: 70% functions. Radial Green’s function. Scattering phase shift.
Scattering cross section. Inelastic scattering. Coupled
Medium of instruction: channel equations. Multichannel Green’s function. S, T and
English K matrices. R matrix method. Reactive scattering.
Partitioning of Hamiltonian. Scattering matrix and cross
References section. Distorted-wave Born approximation. Reactive flux
Publication in journals and total reaction probability. Atom-diatom reactive
1. Polyhedron scattering. Triatomic and tetraatomic reactions.
2. J. Organomet. Chem. •Photon induced molecular processes: Time dependent
3. Organometallics perturbation theory. Rotating-wave approximation. Einstein
4. Inoganica Chimica Acta A and B coefficients. Optical absorption cross-section.
Bloch vector and Bloch sphere. Optical Bloch equations.
SIC3019 ADVANCED QUANTUM CHEMISTRY a.c. Stark effect. Semiclassical theory. Rabi formula. Vector
potentials. Quantized radiation field. One photon
The aims of this course are to provide an introduction to the processes. Two photon processes. Photodissociation of
advanced theory in quantum mechanics and to prepare molecules. Half collision dynamics. Vibrational
students for more advanced courses in graduate study in predissociation of molecules. Time-dependent golden rule.
the field of theoretical chemistry or chemical physics. Flux method for photofragmentation.
Selected topics include:

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