Sökning: "Sergei Simak"

Hittade 4 avhandlingar innehållade orden Sergei Simak.

  1. 1. First-principles study of configurational disorder in icosahedral boron-rich solids

    Författare :Annop Ektarawong; Björn Alling; Sergei Simak; Lars Hultman; Biplab Sanyal; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This thesis is a theoretical study of configurationally disordered icosahedral boronrich solids, in particular boron carbides, using density functional theory and alloy theory. The goal is to resolve discrepancies, regarding the properties of boron carbides, between experiments and previous theoretical calculations which have been a controversial issue in the field of icosahedral boron-rich solids. LÄS MER

  3. 2. A First-Principles Study of Highly Anharmonic and Dynamically Disordered Solids

    Författare :Johan Klarbring; Sergei Simak; Per Eklund; Claudine Katan; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This thesis is a first-principles theoretical investigation of solid materials with high degrees of anharmonicity. These are systems where the dynamics of the constituent atoms is too complex to be well-described by a set of uncoupled harmonic oscillators. LÄS MER

  4. 3. Theoretical and experimental studies of ternary and quaternary nitrides for machining and thermoelectric materials

    Författare :Robert Pilemalm; Per Eklund; Sergei I Simak; Biplap Sanyal; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; materials science; thin film physics; nitrides; machining; thermoelectrics; materialvetenskap; tunnfilmsfysik; nitrider; metallbearbetning; termoelektricitet;

    Sammanfattning : Nitrides are used as coatings and thin films for a wide range of applications. The study and use of nitrides in the recent decades have shifted towards ternary, quaternary or even higher order (complex) nitrides. LÄS MER

  5. 4. Influence of stresses and impurities on thermodynamic and elastic properties of metals and alloys from ab initio theory

    Författare :Olga Vekilova; Igor Abrikosov; Sergei Simak; Björn Winkler; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Stresses and impurities may influence elastic properties, phase stability and magnetic behavior of metals and their alloys. A physical understanding of this influence is of great importance to both fundamental science and technological applications. LÄS MER