We present theoretical results of the study of H 2 S adsorption on gold cluster Au n (n = 1, 5) using density functional theory with Perdew-Burke-Ernzerhof (PBE) exchange-correlation energy functional. Minimum energy ...

We have used ab initio density functional theory to study the coadsorption of N and O on Pt(100) and Pt(111) surfaces. Our calculations show that on Pt(100) the most favourable site is the hollow site for N and the bridge ...

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In this study, Flexy energy analysis taking exergy analysis and heat recovery into account on performance has been performed. The effects of wasting heat on exhaust gas temperature and cooling engine, is analysed in terms ...

Not too long ago(2008),a new pnictide Superconductor free from arsenic was discovered–LiFeP. It belongs to the family of the so called ‘111’ type iron Superconductor. It has unique characteristics in its normal state which ...

A popular model that have been used to study ferromagnetism is the Ising Model which is an arrangement of spins along a particular direction and with discrete values of + 1 . 1-D Ising model doesn't show a phase transition ...

The advent of nanotechnology together with Biomedical Microelectro-Mechanical Systems (BioMEMS) for improved efficacy in treatment of cancer has resulted in the development of an implantable biomedical device for localized ...

The thesis presents the modelling and simulation of free running semiconductor laser. The rate equations which were derived on the basis of the fact that there must be a balance between carriers that undergo transition ...

The high temperature superconducting cuprates show some non Fermi liquid behaviour in their normal state. Also there is no generally accepted theory of high temperature superconductivity. The BCS theory has failed to ...

Key to Escherichia coli (E-coli) bacteria survival is its ability to direct its movement to greener pasture and flee harmful environment - also known as chemotaxis. This thesis focuses on the modelling of E-coli chemotaxis ...

Active polar gels are a type of viscoelastic soft material formed by polar filaments which are constantly driven out of equilibrium by the consumption of chemical fuel such as ATP. Following the approach of Voituriez et ...

This work presents the responses of optical properties and mechanical failure of layers of stretchable organic electronic structures under tension using analytical, simulations, and experimental techniques. The interfacial ...

The study explores the potential effects of the remote application of cyclic magnetic field to the female anopheles mosquitoes that carry malaria parasites. The goal is to develop a theoretical basis that can guide the ...

The study of the structures and properties of organic materials for organic photovoltaic (OPV) applications and their interrelationships is a rapidly growing field of research, involving interdisciplinary efforts at the ...

This research investigates the effects of bending on the electrical, optical, structural and mechanical properties of flexible organic photovoltaic (OPV) cells. Bulk heterojunction organic solar cells were fabricated on ...

This thesis deals with the control of non linear oscillations in plasma governed by a classical Van der Pol equation . The main interest devoted to such an investigation is that non linear oscillations in plasma is essential ...

The complexity of the microstructure of the active layer in organic photo- voltaics (OPVs) poses a unique challenge in improving the efficiency of OPV devices. Molecular dynamics (MD) simulation provides a direct route ...

Femtosecond lasers represent an electromagnetic field with field intensities approaching and even exceeding atomic binding field. When irradiated on a target, the material responses change from linear to nonlinear within ...

The basic understanding of the underlying techniques of growing Carbon Nanotubes (CNTs) with a specific chirality is still obscure and needs to be understood so as to properly harness its potentials. Using both Classical ...

In general, it is assumed in some non viscous flows that the flow velocity is constant at a cross-section. In this thesis, If we impose more realistic boundary conditions by, for example, introducing viscosity,and suction ...