Sökning: "Vitos Levente"

Visar resultat 1 - 5 av 38 avhandlingar innehållade orden Vitos Levente.

  1. 1. Describing Interstitials in Close-packed Lattices: First-principles Study

    Författare :Noura Al-Zoubi; Levente Vitos; Se Kyun Kwon; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Describing interstitial atoms in intermetallics or simple mono-atomic close-packed metals is a straightforward procedure in common full-potential calculations. One establishes a sufficiently large supercell, introduces the interstitial impurity and performs the electronic structure and total energy calculation. LÄS MER

  3. 2. Energy relavant materials: Investigations based on first principles

    Författare :Erna-Krisztina Delczeg-Czirjak; Levente Vitos; Peter Mohn; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Energy production, storage and efficient usage are all crucial factors for environmentally sound and sustainable future technologies. One important question concerns the refrigeration industry, where the energy efficiency of the presently used technologies is at best 40% of the theoretical Carnot limit. LÄS MER

  4. 3. Energy Relevant Materials: Investigations Based on First Principles

    Författare :Erna-Krisztina Delczeg-Czirjak; Levente Vitos; Manuel Richter; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; magneto-caloric; DFT; elastic constants; Materials science; Teknisk materialvetenskap;

    Sammanfattning : Energy production, storage and efficient usage are all crucial factors for environmentally sound and sustainable future technologies. One important question concerns the refrigeration industry, where the energy efficiency of the presently used technologies is at best 40% of the theoretical Carnot limit. LÄS MER

  5. 4. Ab-initio description of mono-vacancies in metals and alloys

    Författare :Lorand Delczeg; Levente Vitos; Ann E. Mattsson; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Sammanfattning : Trough the following pages a comprehensive study of open structures will be shown, including mono-vacancy calculations and open surfaces. These are electronic structure calculations using density functional theory within the exact muffin tin method. LÄS MER

  7. 5. Temperature dependent mechanical properties of as-cast steels : Experimental and theoretical studies

    Författare :Zhihua Dong; Levente Vitos; Imre Bakonyi; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Sammanfattning : The temperature-dependent mechanical properties of steels are important to avoid processing defects, to understand and to improve the high-temperature performance. At the same time, having access to thermal properties gives us opportunity to assess the first-principles theoretical predictions at elevated temperatures. LÄS MER