Sökning: "Göran Grimvall"
Hittade 4 avhandlingar innehållade orden Göran Grimvall.
1. A study of electrons and phonons in metals
Sammanfattning : .... LÄS MER
2. The many-electron energy in density functional theory : from exchange-correlation functional design to applied electronic structure calculations
Sammanfattning : 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. LÄS MER
3. Atomistic simulations of lattice defects
Sammanfattning : 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. LÄS MER
4. Meso-scale modelling of composites and semi-crystalline polymers
Sammanfattning : 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. LÄS MER