Sökning: "Physical modeling"
Visar resultat 1 - 5 av 824 avhandlingar innehållade orden Physical modeling.
1. Metal film growth on weakly-interacting substrates : Multiscale modeling
Sammanfattning : Thin films are nanoscale layers of material used to functionalize surfaces or to serve as building blocks in more complex devices. In recent years, thin metal films have become vital for modern devices within, e.g. LÄS MER
2. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory
Sammanfattning : 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. LÄS MER
3. Modeling DNA Damage
Sammanfattning : In this thesis methods of computational chemistry have been used to examine DNA damaging processes initiated by ionizing radiation, free radicals, or Low-Energy Electrons (LEE). The computational chemistry method based on quantum mechanics that has been mainly used here is the Density Functional Theory (DFT). LÄS MER
4. Elements of modeling nanoparticle growth: Surface thermodynamics and dispersive interactions
Sammanfattning : Metal nanoparticles have in recent decades been the subject of intense research owing to their wide range of size and shape-dependent properties, which makes them interesting candidates for a variety of applications. Gold nanorods represent a particularly intriguing type of particle due to their tunable plasmonic properties. LÄS MER
5. Molecular Modeling of Cardiolipin
Sammanfattning : Biological membranes are assembled from many different lipids. Our understanding of membrane function and morphology is dependent on linking the properties of the lipids to the properties of the membranes. LÄS MER
