Sökning: "Computational physics"
Visar resultat 11 - 15 av 380 avhandlingar innehållade orden Computational physics.
11. Quantum transport and spin effects in lateral semiconductor nanostructures and graphene
Sammanfattning : This thesis studies electron spin phenomena in lateral semi-conductor quantum dots/anti-dots and electron conductance in graphene nanoribbons by numerical modelling. In paper I we have investigated spin-dependent transport through open quantum dots, i.e., dots strongly coupled to their leads, within the Hubbard model. LÄS MER
12. First Principles Studies on Chemical and Electronic Structures of Adsorbates
Sammanfattning : In this thesis, we focus on theoretical study of adsorbates on metal and oxide surfaces that are important for surface chemistry and catalysis. Based on first principles calculations, the adsorption ofCO, NO, NO2, C4H6S2, C22H27SH and other molecules or radicals on nobel metal surfaces (gold and silver) are investigated. LÄS MER
13. Development of New Monte Carlo Methods in Reactor Physics : Criticality, Non-Linear Steady-State and Burnup Problems
Sammanfattning : The Monte Carlo method is, practically, the only approach capable of giving detail insight into complex neutron transport problems. In reactor physics, the method has been used mainly for determining the keff in criticality calculations. LÄS MER
14. Theoretical and computational advances in small-angle x-ray scattering tensor tomography
Sammanfattning : The relationships between microscopic and macroscopic structures is a central topic of materials physics. Small-angle x-ray scattering (SAXS) is a powerful experimental technique for probing and mapping variations in electron density, given by the reciprocal space map, down to the nanometer scale in two dimensions. LÄS MER
15. Hydrogen Bonding in Liquid Alcohols
Sammanfattning : Hydrogen bonded (H-bonded) materials, such as water, alcohols, sugars, and even DNA, are extremely important for biology, as well as chemical industry. Alcohols are used as solvents in paints, in perfumes, as cleaners, anti-freezers, or as an alternative to petrol in combustion engines. LÄS MER