Search for dissertations about: "Grimvall Göran"
Found 4 swedish dissertations containing the words Grimvall Göran.
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1. A study of electrons and phonons in metals
Abstract : .... READ MORE
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2. The many-electron energy in density functional theory : from exchange-correlation functional design to applied electronic structure calculations
Abstract : Att förutsäga egenskaper hos material och kemiska system är en viktig komponent för teoretisk och teknisk utveckling i fysik, kemi och biologi. Ett systems egenskaper styrs till stor del av dess elektrontillstånd. Datorprogram som baseras på täthetsfunktionalsteori kan beskriva elektronkonfigurationer mycket noggrant. READ MORE
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3. Atomistic simulations of lattice defects
Abstract : Mechanical properties of solids are governed by crystal imperfections. Computational materials science is largely concerned with the modelling of such defects, e.g. their formation, migration, and interaction energies. READ MORE
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4. Meso-scale modelling of composites and semi-crystalline polymers
Abstract : This thesis covers the first few steps of a multi-scale computer simulation strategy for predicting physical properties of complex polymers like composites and semi-crystalline polymers. Meso-scale simulations of crystallization and solvent diffusion in polyethylene as well as simulations examining the geometrical impact on the effective permittivity of composites have been performed. READ MORE