Sökning: "Pavel Korzhavyi"

Visar resultat 1 - 5 av 12 avhandlingar innehållade orden Pavel Korzhavyi.

  1. 1. From the Electronic Structure of Point Defects to Functional Properties of Metals and Ceramics

    Författare :David Andersson; Börje Johansson; Pavel Korzhavyi; Benjamin Burton; KTH; []
    Nyckelord :ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; first principles; ab initio; density functional theory; Calphad; point defects; diffusion; solid electrolytes; oxygen storage materials; Material physics with surface physics; Materialfysik med ytfysik;

    Sammanfattning : Point defects are an inherent part of crystalline materials and they influence important physical and chemical properties, such as diffusion, hardness, catalytic activity and phase stability. Increased understanding of point defects enables us to tailor the defect-related properties to the application at hand. LÄS MER

  3. 2. Modeling defect structure evolution in spent nuclear fuel container materials

    Författare :Arash Hosseinzadeh Delandar; Pavel Korzhavyi; Rolf Sandström; Konstantin Khromov; KTH; []
    Nyckelord :ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; Cast iron insert; First principles calculations; Point defects; Effective interaction energy; Late blooming phase; Dislocation dynamics; High strain rate deformation; Single-crystal copper; Copper canister; Creep; Glide; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : Materials intended for disposal of spent nuclear fuel require a particular combination of physical and chemical properties. The driving forces and mechanisms underlying the material’s behavior must be scientifically understood in order to enable modeling at the relevant time- and length-scales. LÄS MER

  4. 3. Finite temperature properties of elements and alloy phases from first principles

    Författare :Hossein Ehteshami; Pavel A. Korzhavyi; Andrei V. Ruban; Tilmann Hickel; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Materials Science and Engineering; Teknisk materialvetenskap; Physics; Fysik;

    Sammanfattning : First principles calculations are usually concerned with properties calculated at temperature 0 K. However, the industrially important materials are functioning at finite temperatures. LÄS MER

  5. 4. Structural and magnetic disorder in crystalline materials : a first principles study

    Författare :Davide Gambino; Björn Alling; Pavel Korzhavyi; Linköpings universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Disorder in crystalline materials can take different forms and originate from different sources. In particular, temperature introduces disorder in any kind of material. LÄS MER

  7. 5. High temperature performance of materials for future power plants

    Författare :Junjing He; Pavel Korzhavyi; Rolf Sandström; Stefano Spigarelli; KTH; []
    Nyckelord :ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; Austenitic stainless steels; Nickel based superalloys; Low cycle fatigue; Creep-fatigue; Creep cavitation; Grain boundary sliding; Cavity nucleation; Cavity growth; Creep rupture strength; Advanced ultra-supercritical power plants.; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : Increasing energy demand leads to two crucial problems for the whole society. One is the economic cost and the other is the pollution of the environment, especially CO2 emissions. Despite efforts to adopt renewable energy sources, fossil fuels will continue to dominate. LÄS MER