Sökning: "Natalia Skorodumova"

Visar resultat 1 - 5 av 9 avhandlingar innehållade orden Natalia Skorodumova.

  1. 1. Density Functional Theory Studies of Small Supported Gold Clusters and Related Questions : What a Difference an Atom Makes

    Författare :Martin Amft; Natalia Skorodumova; Olle Eriksson; Hannu Häkkinen; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Gold clusters; CO oxidation; graphene; spin-orbit coupling; van der Waals interactions; thermally excited vibrations; Condensed matter physics; Kondenserade materiens fysik; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : During the last decades the specific manipulation of matter on the (sub-) nanometer scale, also known as nanoscience, became possible by technologies such as the scanning tunneling microscope. Nanocatalysts, i.e. catalytic active structures of up to a few nanometers in size, belong to this rather new class of materials. LÄS MER

  3. 2. Theoretical studies of lattice- and spin-polarons

    Författare :Nina Bondarenko; Olle Eriksson; Natalia Skorodumova; Manuel Pereiro; Maria Roser Valenti Vall; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Polaron; Nonlinear Schrödinger Equation; Nonlocality; Solitons; Integrable systems; Quantum field theory low energy ; Electron-phonon interaction; Density functional theory; Electronic structure of atoms and molecules; Spin-polaron; Langevin equation; Transport properties; Hubbard model; Heisenberg lattice; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : Theoretical studies of lattice- and spin-polarons are presented in this thesis, where the primary tool is ab-initio electronic structure calculations. The studies are performed with employment of a variety of analytical and computational methods. LÄS MER

  4. 3. Multiscale modeling of nitride fuels

    Författare :Antoine Claisse; Pär Olsson; Janne Wallenius; Per Söderlind; Paul Blair; Paul Erhart; Natalia Skorodumova; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Uranium Nitride Ab Initio Modelling; Fysik; Physics;

    Sammanfattning : Nitride fuels have always been considered a good candidate for GENIV reactors, as well as space reactors, due to their high fissile density, highthermal conductivity and high melting point. In these concepts, not beingcompatible with water is not a significant problem. LÄS MER

  5. 4. 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. 5. The Effect of Boron in Metal Borides and BN : A Theoretical Approach

    Författare :Anna Pallas; Karin Larsson; Natalia Skorodumova; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : .... LÄS MER