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Condensed Matter Physics

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Rigid Aggregation Of Inclusions Embedded In Quasi 2d Fluids, Natalie Xochitl Ryan Dec 2021

Rigid Aggregation Of Inclusions Embedded In Quasi 2d Fluids, Natalie Xochitl Ryan

Physics

Diffusion is a transport process common in several biological systems. In this process particles of different species mix together through random (stochastic) motion at molecular length scales. Diffusion in fluids is unique as the coupling of the flow and fluid have been found to produce giant concentration fluctuations. The molecular length scale of these concentration fluctuations are magnitudes larger than the movement of the particles themselves, earning them the title “giant”. The diffusion of particles in bio-membranes displays a combination of 2D and 3D hydrodynamic properties; the movements of the particles are restricted to the plane of the membrane and …


Development Of Improved Models For Gas Sorption Simulation, Keith Mclaughlin Jan 2013

Development Of Improved Models For Gas Sorption Simulation, Keith Mclaughlin

USF Tampa Graduate Theses and Dissertations

Computational chemistry offers one the ability to develop a better understanding of the complex physical and chemical interactions that are fundamental to macro- and mesoscopic processes that are seen in laboratory experiments, industrial processes, and ordinary, everyday life. For many systems, the physics of interest occur at the molecular or atomistic levels, and in these cases, computational modeling and two well refined simulation techniques become invaluable: Monte Carlo (MC) and molecular dynamics (MD). In this work, two well established problems were tackled. First, models and potentials for various gas molecules were produced and refined from first principles. These models, although …