Sökning: "lattice"

Visar resultat 1 - 5 av 623 avhandlingar innehållade ordet lattice.

  1. 1. Lattice dynamics : From fundamental research to practical applications

    Författare :Johan Tidholm; Igor A. Abrikosov; Olle Hellman; Ferenc Tasnadi; Gerd Steinle-Neumann; Linköpings universitet; []

    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

  2. 2. Classifying Lattice Polytopes

    Författare :Anders Lundman; Sandra Di Rocco; Diane Maclagan; KTH; []

    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

  3. 3. Ab initio Lattice Dynamics : Hydrogen-dense and Other Materials

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

  4. 4. Simulation of lattice defacts im metals

    Författare :Mattias Forsblom; KTH; []
    Nyckelord :lattice defect; dislocation; stacking fault; face-centered cubic structure; molecular dynamics; vibrational entropy;

    Sammanfattning : .... LÄS MER

  5. 5. Electronic Structure and Lattice Dynamics of Elements and Compounds

    Författare :Petros Souvatzis; Olle Eriksson; Anna Delin; Dario Alfé; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; Atomic and molecular physics; electronic structure; lattice dynamics; first-principles theory; self-consistent lattice dynamical calculation; elasticity; super plasticity; electronic topological transition; equation of state; Atom- och molekylfysik;

    Sammanfattning : The elastic constants of Mg(1-x)AlxB2 have been calculated in the regime 0.... LÄS MER