Visar resultat 1 - 5 av 623 avhandlingar innehållade ordet lattice.
Sammanfattning : The reason to perform calculations in material science usually falls into one of two categories: to predict or explain the origin of material properties. This thesis covers first-principle calculations for solids at extreme conditions, from both of the two mentioned categories. LÄS MER
Sammanfattning : This thesis consists of two papers in toric geometry. In Paper A we provide a complete classification up to isomorphism of all smooth convex lattice 3- polytopes with at most 16 lattice points. There exist in total 103 different polytopes meeting these criteria. LÄS MER
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
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Sammanfattning : The elastic constants of Mg(1-x)AlxB2 have been calculated in the regime 0.... LÄS MER