Sökning: "Andrei Ruban"

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden Andrei Ruban.

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

    Författare :Hossein Ehteshami; Pavel A. Korzhavyi; Andrei V. Ruban; Tilmann Hickel; KTH; []
    Nyckelord :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

  3. 2. Ab initio and phenomenological modeling of materials related to CVD hard coatings

    Författare :Axel Forslund; Andrei V. Ruban; Paul Erhart; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : This thesis describes the work based on two different tools in computational materials science: a first-principles approach, namely that of density functional theory, and the CALPHAD approach.These two methods were used in this work to calculate properties of materials related to hard coatings, in particular coatings produced with chemical vapor deposition for the purpose of wear protection in cutting tools. LÄS MER

  4. 3. Theoretical investigation of copper precipitation in steel

    Författare :Oleg Gorbatov; Andrei Ruban; Marcel Sluiter; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Sammanfattning : .... LÄS MER

  5. 4. Interactions and phase stability in Ni-rich binary alloys

    Författare :Shuang He; Andrei Ruban; Biplab Sanyal; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Ni-based superalloys; ab initio calculations; atomic ordering; effective interactions.; Teknisk materialvetenskap; Materials Science and Engineering; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : Ni-based superalloys are the important materials for gas turbines in advancedaeroplane engines . The addition of refractory elements to these superalloys,such as rhenium and tungsten, can significantly improve the hightemperatureperformance by so-called solid-solution hardening. LÄS MER

  7. 5. First-principles investigations of ordering in binary alloys

    Författare :Moshiour Rahaman; Andrei Ruban; Staunton Julie; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ordering; random; alloys;

    Sammanfattning : The aim of the thesis is to study ordering in binary alloys on the basis of first-principles or {\it ab-initio} techniques employing density functional theory (DFT). The ordering phenomena of materials are of crucial importance for technological applications. LÄS MER