Search for dissertations about: "Computational physics"

Showing result 16 - 20 of 378 swedish dissertations containing the words Computational physics.

  2. 16. Optical Characterization and Optimization of Display Components : Some Applications to Liquid-Crystal-Based and Electrochromics-Based Devices

    Author : Iryna Valyukh; Claes-Göran Granqvist; Ewa Wäckelgård; Hans Arwin; Ola Hundery; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; ellipsometry; liquid crystal; LCD; optical anizotropy; electrochromic; inverse problems; Optics; Optik; Optical physics; Optisk fysik; Numerical analysis; Numerisk analys; Solid State Physics; fasta tillståndets fysik; Information Systems; data- och systemvetenskap;

    Abstract : This dissertation is focused on theoretical and experimental studies of optical properties of materials and multilayer structures composing liquid crystal displays (LCDs) and electrochromic (EC) devices. By applying spectroscopic ellipsometry, we have determined the optical constants of thin films of electrochromic tungsten oxide (WOx) and nickel oxide (NiOy), the films’ thickness and roughness. READ MORE

  4. 17. Computational Studies of Nanotube Growth, Nanoclusters and Cathode Materials for Batteries

    Author : Peter Larsson; Rajeev Ahuja; Priya Vashishta; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Materials science; density functional theory; cathode materials; hydrogen-storage materials; carbon nanotube growth; Computational physics; Beräkningsfysik; materiefysik; Physics of Matter; materialvetenskap; Materials Science;

    Abstract : Density functional theory has been used to investigate cathode materials for rechargeable batteries, carbon nanotube interactions with catalyst particles and transition metal catalyzed hydrogen release in magnesium hydride nanoclusters. An effort has been made to the understand structural and electrochemical properties of lithium iron silicate (Li2FeSiO4) and its manganese-doped analogue. READ MORE

  5. 18. Reaction Mechanisms of Metalloenzymes and Synthetic Model Complexes Activating Dioxygen : A Computational study

    Author : Valentin Georgiev; Per E.M. Siegbahn; Sam de Visser; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; catalysis; density functional theory; extradiol; intradiol; dioxygenases; oxygen; biomimetic complexes; heme; spin transition; adipic acid; Chemical physics; Kemisk fysik; kvantkemi; Quantum Chemistry;

    Abstract : Quantum chemistry has nowadays become a powerful and efficient tool that can be successfully used for studies of biosystems. It is therefore possibleto model the enzyme active-site and the reactions undergoing into it, as well as obtaining quite accurate energetic profiles. READ MORE

  6. 19. Simulation of relaxation processes in complex condensed matter systems : Algorithmic and physical aspets

    Author : Tomas Oppelstrup; Mikhail Dzugutov; Göran Wahnström; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Condensed matter physics; Kondenserade materiens fysik; Numerical analysis; Numerisk analys; Materials science; Teknisk materialvetenskap; Defects and diffusion; Defekter och diffusion;

    Abstract : 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. READ MORE

  7. 20. Computational Material Design : Diluted Magnetic Semiconductors for Spintronics

    Author : Lunmei Huang; Rajeev Ahuja; Walter Temmerman; Uppsala universitet; []
    Keywords : Physics; Density functional theory; Diluted magnetic semiconductor; Ferromagnetism; Defect; Phase transition; High pressure; Thermal elastic constant; Fysik;

    Abstract : The present thesis deals with the application of ab-initio electronic structure calculations based on density functional theory for material design.The correlation between magnetic properties and electronic structures has been investigated in detail for diluted magnetic semiconductors (DMS), which have promising application for spintronics devices. READ MORE