Sökning: "Pressure-induced phase transitions"
Visar resultat 1 - 5 av 6 avhandlingar innehållade orden Pressure-induced phase transitions.
1. First-Principles Studies of Materials Properties : Pressure-Induced Phase Transitions & Functional Materials
Sammanfattning : 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. LÄS MER
2. Pressure-Induced Amorphization and Distinct Amorphous States of Clathrate Hydrates
Sammanfattning : This thesis summarizes a study on the pressure-induced amorphization (PIA) and structures of amorphous states of clathrate hydrates (CHs).PIA involves the transition of a crystalline material into an amorphous solid in response of mechanical compression at temperatures well below the melting point. LÄS MER
3. The High-Pressure Study on the Fe - O System: Thermodynamics and Phase Transitions of Iron Ferrite (FeFe2O4)
Sammanfattning : 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. LÄS MER
4. Theoretical Investigations of Compressed Materials
Sammanfattning : 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. LÄS MER
5. Elastic properties and structural stabilities of elements and compounds
Sammanfattning : 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. LÄS MER