Search for dissertations about: "Defects Diffusion"

Showing result 1 - 5 of 90 swedish dissertations containing the words Defects Diffusion.

  2. 1. Insights into Materials Properties from Ab Initio Theory : Diffusion, Adsorption, Catalysis & Structure

    Author : Andreas Blomqvist; Rajeev Ahuja; Christopher Wolverton; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Molecular dynamics; Diffusion; Catalysis; Adsorption; Random structure search; Hydrogen-storage materials; Phase-change materials; Defects and diffusion; Defekter och diffusion; Surfaces and interfaces; Ytor och mellanytor; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    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

  4. 2. Compound semiconductors : defects and relocation of atoms during growth sputtering and diffusion

    Author : Margareta K. Linnarsson; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; secondary ion mass spectrometry SIMS ; cascade mixing; redistribution; diffusion; defects; passivation; SiC; A1xGa1-xAs; Electronics; Elektronik;

    Abstract : .... READ MORE

  5. 3. Electronic Structure Calculations of Point Defects in Semiconductors

    Author : Andreas Höglund; Susanne Mirbt; Alison Mainwood; Uppsala universitet; []
    Keywords : Physics; electronic structure calculations; point defects; semiconductor; formation energy; equilibrium solubility limit; thermodynamic equilibrium concentration; transfer levels; negative-U; 110 surface; diffusion; activation energy; solar cells; Fysik;

    Abstract : In this thesis point defects in semiconductors are studied by electronic structure calculations. Results are presented for the stability and equilibrium concentrations of native defects in GaP, InP, InAs, and InSb, for the entire range of doping conditions and stoichiometry. READ MORE

  6. 4. Multiscale modeling of atomic transport phenomena in ferritic steels

    Author : Luca Messina; Pär Olsson; Nils Sandberg; Pål Efsing; Pascal Bellon; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; diffusion; impurities; iron; metals; kinetic Monte Carlo; ab initio; mean field; defects; embrittlement; reactor pressure vessel; neural networks; Fysik; Physics;

    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

  7. 5. DIFFUSION OF IONS IN WOOD

    Author : Reddysuresh Kolavali; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; lithium chloride; impregnation; diffusion; Norway spruce; local concentration profiles; experimental methodology; micro-cracks; wood; Donnan effect;

    Abstract : Wood sourced from well managed plantations or forests, is a renewable material with many advantages over non-renewable (fossil) material, and also wood lignocelluloses are the only type of biomass that is a seasonal-independent product. In addition to direct utilization as a building material, major uses of wood are currently for making pulp and paper products, and fuel. READ MORE