Search for dissertations about: "Pressure-induced phase transitions"

Found 5 swedish dissertations containing the words Pressure-induced phase transitions.

  1. 1. First-Principles Studies of Materials Properties Pressure-Induced Phase Transitions & Functional Materials

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Thanayut Kaewmaraya; Rajeev Ahuja; Scheicher Ralph; Naurang Saini; [2015]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Pressure-induced phase transitions; Ab-initio molecular dynamic; hybrid functional; Ab-initio random structure searching; Phase change material; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : This thesis presents the first-principles studies of materials properties within the framework of the density functional theory (DFT). The thesis constitutes three main parts, i. e., pressure-induced phase transitions in solids, data-storage and clean-energy materials. READ MORE

  2. 2. The High-Pressure Study on the Fe - O System: Thermodynamics and Phase Transitions of Iron Ferrite (FeFe2O4)

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Olga Shebanova; Peter Lazor; Viktor Struzhkin; [2003]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Earth sciences; high pressure; high temperature; thermodynamics; phase transitions; magnetite; Geovetenskap; NATURAL SCIENCES Earth sciences; NATURVETENSKAP Geovetenskap; mineralogi; petrologi och tektonik; Mineral Chemistry; Petrology and Tectonics;

    Abstract : Knowledge about the stability of phases and their relationships in the Fe-O system at high pressures and temperatures is essential in implications of the multifarious states of iron oxides for models of the evolution of the Earth. In this respect, the iron ferrite magnetite (FeFe2O4) plays a significant role since it participates in the control of geochemistry of ferric iron, and hence oxygen fugacity in the Earth`s deep interior. READ MORE

  3. 3. Theoretical Investigations of Compressed Materials

    University dissertation from Stockholm : KTH

    Author : Wei Luo; Rajeev Ahuja; Maurizio Mattesini; [2010]
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TECHNOLOGY; TEKNIKVETENSKAP;

    Abstract : The use of high pressure as a tool to design new materials as well as to investigatematerials properties has become increasingly important during last one decade. The maingoal of the present thesis is to enhance the significance of the high pressure method as aquantitative tool in solid state investigations. READ MORE

  4. 4. Elastic properties and structural stabilities of elements and compounds

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Lars Fast; Uppsala universitet.; [1998]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; Fysik; NATURAL SCIENCES Physics; NATURVETENSKAP Fysik; fysik; Physics;

    Abstract : A first principles study of the elastic and structural properties of selected elements and compounds is presented. The theoretical basis for these investigations is the density functional theory, in combination with a full potential linear muffin-tin orbital method. READ MORE

  5. 5. Hydrogen Storage Materials Design, Catalysis, Thermodynamics, Structure and Optics

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Carlos Moysés Graça Araújo; Rajeev Ahuja; Ole Martin Løvvik; [2008]
    Keywords : Materials science; Hydrogen-storage materials; Density functional theory; Molecular dynamics; Catalysis; Thermodynamics; Optics; Materialvetenskap;

    Abstract : Hydrogen is abundant, uniformly distributed throughout the Earth's surface and its oxidation product (water) is environmentally benign. Owing to these features, it is considered as an ideal synthetic fuel for a new world energetic matrix (renewable, secure and environmentally friendly) that could allow a sustainable future development. READ MORE