Sökning: "first principles"

Visar resultat 16 - 20 av 879 avhandlingar innehållade orden first principles.

  1. 16. First-principles investigations of planar defects

    Författare :Song Lu; Levente Vitos; Graeme Ackland; KTH; []
    Nyckelord :;

    Sammanfattning : Two types of planar defects, phase interface and stacking fault, are addressed in thisthesis. The first-principles exact-muffin orbitals method in combination with thecoherent-potential approximation is the main density functional theory (DFT) toolfor our studies. LÄS MER

  3. 17. Point defects and ion conduction in solid oxides: a first-principles case study of La2Zr2O7

    Författare :Joakim Nyman; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; proton; self compensation; hydrogen economy; DFT; La2Zr2O7; acceptor doping; lanthanum zirconate; oxygen vacancy; SOFC; pyrochlore; point defect; trapping; computational methods; solid oxide; charge compensation; first principles; ion conduction; solid oxide fuel cell; ceramic electrolyte; defect cluster; fuel cell; hydrogen;

    Sammanfattning : In the endeavor to attain a clean environment and sustainable energy consumption, the notion of a future hydrogen economy stands out as one of the grandest visions. Striving for this vision, a critical task lies in optimizing the performance of the fuel-cell devices responsible for extracting electric power from the energy stored in hydrogen molecules. LÄS MER

  4. 18. Total internal reflection ellipsometry : principles and applications

    Författare :Michal Poksinski; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Spectroscopic ellipsometry has been used under conditions of total internal reflection to form a new measurement technique called Total Internal Reflection Ellipsometry. When measurement settings are appropriate for surface plasmon resonance to occur it is possible to combine the advantages of both ellipsometry and surface plasmon resonance and obtain very high sensitivity and precision. LÄS MER

  5. 19. Knowledge Closure and Knowledge Openness : A Study of Epistemic Closure Principles

    Författare :Levi Spectre; Peter Pagin; Åsa Wikforss; Stewart Cohen; Stockholms universitet; []
    Nyckelord :HUMANIORA; HUMANITIES; knowledge; principle of epistemic closure; knowledge openness; evidence; epistemic principles; skepticism; fallibilism; principles of evidence; evidence openness; dogmatism; safety; chance; Bayesianism; Carnap; Cohen; Dretske; Hawthorne; Hempel; Kripke; Nozick; Pagin; Vogel; Williamson; Theoretical philosophy; Teoretisk filosofi; Theoretical Philosophy; teoretisk filosofi;

    Sammanfattning : The principle of epistemic closure is the claim that what is known to follow from knowledge is known to be true. This intuitively plausible idea is endorsed by a vast majority of knowledge theorists. There are significant problems, however, that have to be addressed if epistemic closure – closed knowledge – is endorsed. LÄS MER

  7. 20. Defect properties in dilute tungsten alloys from first-principles calculations

    Författare :Leili Gharaee; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; irradiation; structural materials; first-principles calculations.; point defects; tungsten alloys;

    Sammanfattning : .... LÄS MER