Search for dissertations about: "NATURVETENSKAP Fysik Kondenserade materiens fysik Defekter och diffusion"
Found 4 swedish dissertations containing the words NATURVETENSKAP Fysik Kondenserade materiens fysik Defekter och diffusion.
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1. Insights into Materials Properties from Ab Initio Theory : Diffusion, Adsorption, Catalysis & Structure
Abstract : In this thesis, density functional theory (DFT) calculations and DFT based ab initio molecular dynamics simulations have been employed in order to gain insights into materials properties like diffusion, adsorption, catalysis, and structure. In transition metals, absorbed hydrogen atoms self-trap due to localization of metal d-electrons. READ MORE
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2. Simulation of relaxation processes in complex condensed matter systems : Algorithmic and physical aspets
Abstract : This thesis summarizes interrelated simulation studies of three different physical phenomena. The three topics are: simulation of work hardening of materials using dislocation dynamics, investigation of anomalous diffusion in supercooled liquids using molecular dynamics,and kinetic Monte-Carlo simulation of annealing of radiation damaged materials. READ MORE
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3. Atomistic modelling of functional solid oxides for industrial applications : Density Functional Theory, hybrid functional and GW-based studies
Abstract : In this Thesis a set of functional solid oxides for industrial applications have been addressed by first principles and thermodynamical modelling. More specificially, measurable quantities such as Gibbs free energy, geometry and electronic structure have been calculated and compared when possible with experimental data. READ MORE
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4. Defects in Austenitic Steels and Hard Metals - A DFT-based Study
Abstract : Materials are never 100% pure due to the limitation of purification method or manufacturing process. Nor are they perfect, especially under deformation. The present work aims to explore different roles played by the defects in austenitic steels and hard metals. READ MORE
