Sökning: "kinetic Monte Carlo"

Visar resultat 21 - 25 av 55 avhandlingar innehållade orden kinetic Monte Carlo.

  1. 21. New Materials for Spintronics : Electronic structure and magnetism

    Författare :Ronny Knut; Olof Karis; Biplab Sanyal; Hermann Durr; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Spintronics; X-ray photoemission; XPS; XMCD; XAS; magnetic semiconductors; HIKE; HAXPES; multilayer; monte carlo; magnetism; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Materials exhibiting new functionalities due to interdependent electric (e.g. conductivity) and magnetic properties are potentially interesting for spintronics applications. LÄS MER

  3. 22. Hydrogen Bonding in Liquid Alcohols

    Författare :Per Sillrén; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Hydrogen Bonded Liquids; Physics of liquids; Diffraction; Monte Carlo Simulation; Alcohols; Neutron Scattering; EPSR;

    Sammanfattning : Hydrogen bonded (H-bonded) materials, such as water, alcohols, sugars, and even DNA, are extremely important for biology, as well as chemical industry. Alcohols are used as solvents in paints, in perfumes, as cleaners, anti-freezers, or as an alternative to petrol in combustion engines. LÄS MER

  4. 23. Numerical solution of quasilinear kinetic diffusion equations in toroidal plasmas

    Författare :Lars Josef Höök; Torbjörn Hellsten; Thomas Johnson; Jukka Heikkinen; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : One of the main challenges for the realization of a working fusion power plant is an increased detailed understanding of kinetic phenomena in toroidal plasmas. The tokamak is a toroidal, magnetically confined plasma device and is currently the main line towards a power plant. LÄS MER

  5. 24. First-principles studies of kinetic effects in energy-related materials

    Författare :Johan O. Nilsson; Natalia Skorodumova; Aatto Laaksonen; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Materials Science and Engineering; Teknisk materialvetenskap;

    Sammanfattning : Quantum mechanical calculations based on first-principles (lat. ab initio) methods have over the past decades proved very successful for the study of many materials properties. LÄS MER

  7. 25. Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds

    Författare :Michael Svärd; Åke Rasmuson; Hugo Meekes; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Polymorphism; crystallization; thermodynamics; kinetics; nucleation; crystallography; solubility; phase equilibria; polymorphic transformation; solution history; metastable zone; classical theory of nucleation; two-step theory of nucleation; cluster; crystal structure prediction; lattice energy; molecular mechanics; force field; electrostatic potential; potential energy hypersurface; m-aminobenzoic acid; m-hydroxybenzoic acid; Chemical engineering; Kemiteknik;

    Sammanfattning : This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. LÄS MER