Sökning: "Hydrogen-dense materials"

Hittade 1 avhandling innehållade orden Hydrogen-dense materials.

  1. 1. Ab initio Lattice Dynamics Hydrogen-dense and Other Materials

    Detta är en avhandling från Uppsala : Universitetsbiblioteket

    Författare :Duck Young Kim; Uppsala universitet.; [2009]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Density functional perturbation theory; Hydrogen-dense materials; Phase transition; High pressure; Ab initio lattice dynamics; Superconductivity; Quasi-particle approximation; NATURAL SCIENCES Physics; NATURVETENSKAP Fysik;

    Sammanfattning : This thesis presents a theoretical study of materials under high pressure using ab initio lattice dynamics based on density functional theory and density functional perturbation theory using both super-cell and linear response approach.Ab initio lattice dynamics using super-cell approach is applied to compare our theoretical predictions with experimental findings. LÄS MER