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Influence of Molecular Polarizability on the Active Layer of Organic Photovoltaic Cells: A case study of Poly(3-hexylthiophene)
(2013-05-13)
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 Laser Surface Texturing of Materials for Various Applications
(2013-05-13)
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 ...
Simulation of Carbon Nanotube Growth
(2013-05-13)
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 ...
Nonlinear Effect in-flow in Porous Duct
(2013-05-13)
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 ...
Theoretical and Computational Modeling of an Implantable Biomedical Device for Localized Hyperthermia and Drug Delivery
(2011-10-24)
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 ...
Development of a Correction Term for the Kinetic Energy Density Functional
(2014-12-15)
Density functional theory (DFT) is a useful theoretical and computational tool for electronic structure calculations, which form the basis for the classification of materials into conductors, semiconductors or insulators. ...
Exergy Analysis of Hybrid Solar Pv- Diesel / Biofuel System for Cogeneration (ELECTRCITY and Cold)
(2010-12-20)
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 ...
Control of Non Linear Oscillations in Plasma Governed by a Van Der Pol Equation
(2011-12-20)
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 ...
Towards a New Exchange-Correlation Density Functional for more Accurate Band Gap Predictions
(2016-06-17)
Density-Functional Theory (DFT) offers a simplification to electronic structure problems by using the electron density instead of the wave-function. Unlike the wave-function which is a function of 3N variables (excluding ...
Calculations of Phonons and Phonon Dispersion in Lifep Pnictide Superconductor
(2010-12-20)
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 ...