Search for dissertations about: "Kinetic Monte Carlo"

Showing result 16 - 20 of 55 swedish dissertations containing the words Kinetic Monte Carlo.

  2. 16. Quantitative methods for tumor imaging with dynamic PET

    Author : Ida Häggström; Anne Larsson; Mikael Karlsson; Lennart Johansson; Jens Sörensen; Magnus Dahlbom; Umeå universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; Dynamic positron emission tomography; PET; tumor imaging; compartment modeling; Monte Carlo; radiofysik; radiation physics;

    Abstract : There is always a need and drive to improve modern cancer care. Dynamic positron emission tomography (PET) offers the advantage of in vivo functional imaging, combined with the ability to follow the physiological processes over time. READ MORE

  4. 17. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory

    Author : Mikkel Jørgensen; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density Functional Theory; Methane oxidation; Mean-field approximation; Microkinetic modeling; Kinetic Monte Carlo; Nanoparticles; Entropy; CO oxidation; Catalysis;

    Abstract : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. READ MORE

  5. 18. Noise Applications in Light Water Reactors with Traveling Perturbations

    Author : Victor Dykin; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Green s function technique; transit times; decay ratio; cross-correlation function; void fraction; global and regional instabilities; propagating density perturbation; BWR stability; reduced order models; non-white driving force; local component; Monte Carlo; space-dependent neutron noise; density wave oscillations;

    Abstract : Neutron noise induced by perturbations traveling with the coolant of light water reactors (LWRs) is investigated. Different methods to simulate the effect of propagating perturbations are considered. The studies are performed in both open- and closed-loop systems and summarized in three chapters. READ MORE

  6. 19. Catalytic Water Production from First-Principles Calculations

    Author : Gustav Karlberg; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; platinum; Monte Carlo; first-principles; hydroxyl; transition metals; density functional theory DFT ; Metropolis; oxygen; water; water production reaction; hydrogen;

    Abstract : The main subject of this thesis is the catalytic water production reaction on metal surfaces. This reaction is of great current interest due to its importance in fuel cells, a clean and efficient way to convert chemical energy into electrical. READ MORE

  7. 20. Multiscale modeling of atomic transport phenomena in ferritic steels

    Author : Luca Messina; Pär Olsson; Nils Sandberg; Pål Efsing; Pascal Bellon; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; diffusion; impurities; iron; metals; kinetic Monte Carlo; ab initio; mean field; defects; embrittlement; reactor pressure vessel; neural networks; Fysik; Physics;

    Abstract : Defect-driven transport of impurities plays a key role in the microstructure evolution of alloys, and has a great impact on the mechanical properties at the macroscopic scale. This phenomenon is greatly enhanced in irradiated materials because of the large amount of radiation-induced crystal defects (vacancies and interstitials). READ MORE