Physics Commons^™

Response Of The Isothermal Mode Grüneisen Tensor Across Phase Boundaries, Jasmine K. Hinton

UNLV Theses, Dissertations, Professional Papers, and Capstones

The assumptions for the 1912 Grüneisen parameter are reviewed, particularly in the cases of anisotropy, high temperatures, and across phase boundaries. Two main case studies are shown: β-Sn, and Cd. The main techniques of this work involve resistively heated diamond anvil cells with both optical Raman spectroscopy and x-ray diffraction. It is found in Sn that the isothermal mode Grüneisen tensor along increasing isotherms diverges from the single-valued temperature aggregate at the onset of melt, and this is proposed to use as a method of exploring melt phase boundaries in other systems. This method is examined once again on another …

Simulating Radial Ring Structure With An Ambipolar Elsasser (Am) Bump In Non-Ideal Magnetohydrodynamics Of Protoplanetary Disks, Aleksey S. Mohov

UNLV Theses, Dissertations, Professional Papers, and Capstones

Rings are one of the most ubiquitous substructures observed in protoplanetary disks. They are known to be a robust site for planetesimal formation; thus we look for mechanisms that can originate stable rings. From chemical modelling of snow lines, we expect a bump in the Ambipolar Diffusion (AD) Elssaser number (Am) in the radial direction. We use the Athena++ code to model the non-ideal Magentohydrodynamics (MHD) behavior of an Am bump. We explore a parameter space of Gaussian bumps with Am = 5, 1, 0.5 peak strength and σ = 0.25, 1, 5. The Gaussian profile is inserted into the …

Stoichiometric Determination Of Hydride Materials At Extreme Conditions, Gregory Alexander Smith

UNLV Theses, Dissertations, Professional Papers, and Capstones

Hydrogen was predicted to be a high-temperature superconductor at near-megabar conditions in 1968,[1] but only recently was been experimentally observed.[2] This is due to the extraneous metrological constraint of requiring 5 megabars of pressure to stabilize. A more practical approach for synthesis of high-temperature superconductors has been pro-posed through the use of hydride compounds. Recently, a surge of rare earth hydrides have achieved critical superconducting transition temperatures (T_C ) close to room temperature.[3, 4, 5, 6] However, due to limitations of the necessary instrumentation to achieve megabar pressures, many techniques traditionally used to measure stoichiometry are unavailable.Three works presented in …

Joint Constraints On Kepler-36 From Kepler And New Keck-Hires Data, Nicholas Juliano

UNLV Theses, Dissertations, Professional Papers, and Capstones

I analyze new HIRES Radial Velocity (RV) data in conjunction with transit mid-times and uncertainties from the full 17 quarters of Kepler data to reassess the orbital parameters of the Kepler-36 system. Six additional RV measurements were taken by the Keck-HIRES spectrograph from September 21, 2021 to October 11, 2021. I carry out a differential evolution Markov Chain Monte Carlo-based (DEMCMC) analysis to infer improved orbital elements for the two known planets in the system. Leveraging additional information provided by the new RV measurements, I extend this DEMCMC analysis to a possible three-planet configuration. I explore the likelihood of a …

Ab-Initio And Empirical Simulations Of Aluminum And Copper Metal, William Wolfs

UNLV Theses, Dissertations, Professional Papers, and Capstones

In this work, I perform detailed calculations on the bulk and electronic properties of aluminum and copper metal. Originally, I was motivated by experimental work on the solidsolid phase changes in pure aluminum. These phase changes were well predicted by density functional theory(DFT) but difficult or impossible to predict using embedded atom method potentials(EAM). EAM potentials are in wide use to describe many properties of bulk materials, and it seemed worrying that something so basic as a phase change could not be predicted. I began running high precision calculations with DFT and compared the results to EAM potentials which had …

Numerical Studies Of Regularized Navier-Stokes Equations And An Application Of A Run-To-Run Control Model For Membrane Filtration At A Large Urban Water Treatment Facility, Jeffrey Belding

UNLV Theses, Dissertations, Professional Papers, and Capstones

This dissertation consists of two parts. The first part consists of research on accurate and efficient turbulent fluid flow modeling via a family of regularizations of the Navier-Stokes equation which are known as Time Relaxation models. In the second part, we look into the modeling application for the filtration/backwash process at the River Mountains Water Treatment Facility in Henderson, NV.

In the first two chapters, we introduce the Time Relaxation models and their associated differential filter equations. In addition, we develop the regularization method which employs the Nth van Cittert deconvolution operator, which gives rise to the family of models. …

Infiltration Into Water-Repellent Sand: The Role Of Sorptivity, Rose Marie Shillito

UNLV Theses, Dissertations, Professional Papers, and Capstones

Soil water repellency (SWR) is believed to contribute to the increased potential for post-fire runoff and erosion. Currently, no quantitative method exists to account for SWR in physically-based runoff models. A physically-based model incorporating SWR (through the contact angle) in the infiltration parameter, sorptivity, was developed. The model was tested and verified with controlled laboratory tests on a fully characterized sand treated to create various degrees of SWR. The ability to create the wetting water characteristic curve for untreated and treated sand, appropriate for the infiltration process, was presented. Additionally, the ability to measure sorptivity with widely used infiltration tests …

Pressure Driven Electronic Band Gap Engineering In Tin(Iv)-O,N Compounds, Daniel Thomas Sneed

UNLV Theses, Dissertations, Professional Papers, and Capstones

The intrinsic link between long-range order, coordination geometry, and the electronic properties of a system must be understood in order to tailor function-specific materials. Although material properties are typically tailored using chemical dopants, such methods can cause irreversible changes to the structure, limiting the range of functionality. The application of high pressure may provide an alternative “clean” method to tune the electronic properties of semiconducting materials by tailoring their defect density and structure.

We have explored a number of optoelectronic relevant materials with promising characteristics, specifically Sn-(O,N) compounds which have been predicted to undergo pressure-mediated opening of their optical band …

Applied Symmetry For Crystal Structure Prediction, Scott William Fredericks

UNLV Theses, Dissertations, Professional Papers, and Capstones

This thesis presents an original open-source Python package called PyXtal (pronounced "pi-crystal") that generates random symmetric crystal structures for use in crystal structure prediction (CSP). The primary advantage of PyXtal over existing structure generation tools is its unique symmetrization method. For molecular structures, PyXtal uses an original algorithm to determine the compatibility of molecular point group symmetry with Wyckoff site symmetry. This allows the molecules in generated structures to occupy special Wyckoff positions without breaking the structure's symmetry. This is a new feature which increases the space of search-able structures and in turn improves CSP performance.

It is shown that …

High-Pressure High-Temperature Exploration Of Phase Boundaries Using Raman Spectroscopy, Jasmine Kashmir Hinton

UNLV Theses, Dissertations, Professional Papers, and Capstones

Metastability of states can provide interesting properties that may not be readily accessible in a material’s ground state. Many materials show high levels of polymorphism, indicating a rich energy landscape and a potential for metastable states. Melt crystallization techniques provide a potential route to these states. We use a resistively heated diamond anvil cell (DAC) with fine control of a system’s pressure and temperature to explore these systems. Raman spectroscopy is used to track subtle structural changes across phase boundaries. Organic systems, such as glycine and aspirin, were our initial interest due to their high polymorphism and reported low melting …

Bayesian Model Comparisons In Planetary Science, John Henry Boisvert

UNLV Theses, Dissertations, Professional Papers, and Capstones

Model comparison in the modern era allows us to use statistical methods that were previously difficult with older machines. I present a state-of-the-art model comparison code that uses modern Bayesian statistics to measure the Bayes factor between two competing models. The Bayes factor is the ratio of the probability of the data given one model to the probability of the data given another model. My code was used to compare models in five problems in planetary science. The first three pertain to radial velocity exoplanet data. There is a degeneracy in the radial velocity exoplanet signal between a single planet …

A More General Diffusion Model For Lightning Radiative Transfer, Elliott Paul Saint-Pierre

UNLV Theses, Dissertations, Professional Papers, and Capstones

A more general diffusion model for lightning radiative transfer is presented. The development is based on the work published by Koshak et al (J. Geo. Phys. Res., vol. 99, (D7), 14361-371, (1994). In this thesis, the diffusion coefficient is allowed to vary as a function of the radial component of the cloud and cylindrical geometry is used. Different approximations in the analysis of the resulting radial equation are provided. The method of Frobenius permits the obtention of a complete solution. Possibilities and means for further development of this research are included.