Sökning: "Defects and diffusion"
Visar resultat 1 - 5 av 90 avhandlingar innehållade orden Defects and diffusion.
1. Compound semiconductors : defects and relocation of atoms during growth sputtering and diffusion
Sammanfattning : .... LÄS MER
2. Insights into Materials Properties from Ab Initio Theory : Diffusion, Adsorption, Catalysis & Structure
Sammanfattning : In this thesis, density functional theory (DFT) calculations and DFT based ab initio molecular dynamics simulations have been employed in order to gain insights into materials properties like diffusion, adsorption, catalysis, and structure. In transition metals, absorbed hydrogen atoms self-trap due to localization of metal d-electrons. LÄS MER
3. From the Electronic Structure of Point Defects to Functional Properties of Metals and Ceramics
Sammanfattning : Point defects are an inherent part of crystalline materials and they influence important physical and chemical properties, such as diffusion, hardness, catalytic activity and phase stability. Increased understanding of point defects enables us to tailor the defect-related properties to the application at hand. LÄS MER
4. Energy Storage Materials: Insights From ab Initio Theory : Diffusion, Structure, Thermodynamics and Design
Sammanfattning : The development of science and technology have provided a lifestyle completely dependent on energy consumption. Devices such as computers and mobile phones are good examples of how our daily life depends on electric energy. LÄS MER
5. Simulation of relaxation processes in complex condensed matter systems : Algorithmic and physical aspets
Sammanfattning : This thesis summarizes interrelated simulation studies of three different physical phenomena. The three topics are: simulation of work hardening of materials using dislocation dynamics, investigation of anomalous diffusion in supercooled liquids using molecular dynamics,and kinetic Monte-Carlo simulation of annealing of radiation damaged materials. LÄS MER