Biological and Chemical Physics Commons^™

A Computational Kinetics Model To Quantify Radiation Induced Chemical Products Of Atmospheric Gas Mixtures, Patrick Ables

Dissertations

This research is focused on the development of a computational model which will calculate the effects of radiation on the chemical composition of the atmosphere. The approach utilizes the open-source chemical kinetics toolkit Cantera to model the creation of radiation-induced reactant species within irradiated air mixtures. Chemical solutions are iteratively stepped toward chemical equilibrium within a ‘constantly stirred’ (homogeneous) reactor of fixed volume. Three different radiation chemistry models are implemented in several different pulsed and continuous radiation schemes. The first model includes the mechanisms and rates of a pulse radiation model from the literature to test the validity of the …

Critical Behavior In Evolutionary And Population Dynamics, Stephen Ordway

Dissertations

This study is an exploration of phase transition behavior in evolutionary and population dynamics, and techniques for predicting population changes, across the disciplines of physics, biology, and computer science. Under the looming threat of climate change, it is imperative to understand the dynamics of populations under environmental stress and to identify early warning signals of population decline. These issues are explored here in (1) a computational model of evolutionary dynamics, (2) an experimental system of decaying populations under environmental stress, and (3) a machine learning approach to predict population changes based on environmental factors. Through the lens of critical phase …

Embedded Gold Nanoparticles For Metal Enhanced Photoluminescence, Hasna Alali

Dissertations

Noble metal nanoparticles (MNPs) have attracted great attention in electronics, solar cells and catalysis. Their unique optical properties and biocompatibility makes them useful in biological applications like imaging, drug delivery, therapy and diagnostic. At the surface of MNPs the collective oscillation of free electrons resonates with a particular wavelength of incident light, generating the Localized Surface Plasmons Resonance (LSPR). LSPR results in absorption and scattering of incident light. Scattering results in reflecting photons and absorption leads to enhanced photoluminescence and quenching of fluorophores, if the fluorophore is in the vicinity of MNPs.

Most of the studies in this regard have …

Evolving Specialization In An Agent-Based Model Without Task-Switching Costs, Shane Meyer

Dissertations

This work examines the possibility of evolving the phenotypic specialization associated with division of labor in an agent-based model without task-switching costs. The model examines two groups competing for vital resources, where members of one group are capable of sharing resources with other agents in their group. Agents attempt to collect resources which allow them to reproduce, with more resources leading to a greater number of offspring by asexual reproduction. Four variants of the model are examined, with combinations of one or two resources and the presence of a foraging risk. The presence of the foraging risk can lead to …

Crystallography And Magnetism Of Magnetocalorically Important Ni-Mn-X Based Heusler Alloys, Amila S. B. Madiligama

Dissertations

Ni-Mn-X Heusler alloys, demonstrating strong coupling between crystalline structure and magnetic state, were studied. They undergo field-induced, first-order transformations from a low symmetry martensite to a high-symmetry austenitic phase around room temperature. The substantial difference between the entropies of the two phases results in a large adiabatic temperature change, called “Giant Magnetocaloric Effect (GMCE)”. Consequently, these alloys are promising refrigerants for near-room temperature cooling systems. This magnetic cooling is an energy-efficient and eco-friendly technology.

Crystalline structures and magnetic states of these alloys, which determine their magnetocaloric performances, highly depend on their composition. To examine new paths to optimize their magnetocaloric …

Hydrogen Bond-Mediated Structural Order In Hydroxylated Bis-Mpa Dendritic Polymers: Experimental And Molecular Dynamics Simulation Study, Maliha N. Syed

Dissertations

Dendritic architectures are echoed throughout nature. While the significance of these pervasive patterns is not entirely clear, connections between their structures and physical properties are fascinating to contemplate. Particular interest has been paid to a family of synthetically manufactured and commercially available dendritic polymers based on 2,2-bis(hydroxymethyl) propionic acid (bis-MPA) as a monomer. Composed of two hydroxyls and a carboxyl group, bis-MPA based structures hydrogen bond (H-bond) profusely. Given the high concentration and unique spatial orientation of end-groups, as well as the multitude of carbonyl, ester, and ether interior H-bond acceptors, a set of distinct H-bond organizations may be observed …