Search for dissertations about: "NATURAL SCIENCES Physics Condensed matter physics Defects and diffusion"
Showing result 1 - 5 of 20 swedish dissertations containing the words NATURAL SCIENCES Physics Condensed matter physics Defects and diffusion.
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1. 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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2. 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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3. Novel Layered and 2D Materials for Functionality Enhancement of Contacts and Gas Sensors
Abstract : Chemical gas sensors are widely-used electronic devices for detecting or measuring the density levels of desired gas species. In this study, materials with established or potential applications for gas sensors are treated. READ MORE
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4. Influence of defects and impurities on the properties of 2D materials
Abstract : Graphene, the thinnest material with a stable 2D structure, is a potential alternative for silicon-based electronics. However, zero band gap of graphene causes a poor on-off ratio of current thus making it unsuitable for logic operations. This problem prompted scientists to find other suitable 2D materials. READ MORE
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5. Multiscale modeling of atomic transport phenomena in ferritic steels
Abstract : Defect-driven transport of impurities plays a key role in the microstructure evolution of alloys, and has a great impact on the mechanical properties at the macroscopic scale. This phenomenon is greatly enhanced in irradiated materials because of the large amount of radiation-induced crystal defects (vacancies and interstitials). READ MORE