Physical Sciences and Mathematics Commons^™

Developments Of Machine Learning Potentials For Atomistic Simulations, Howard Yanxon

UNLV Theses, Dissertations, Professional Papers, and Capstones

Atomistic modeling methods such as molecular dynamics play important roles in investigating time-dependent physical and chemical processes at the microscopic level. In the simulations, energy and forces, sometimes including stress tensor, need to be recalculated iteratively as the atomic configuration evolves. Consequently, atomistic simulations crucially depend on the accuracy of the underlying potential energy surface. Modern quantum mechanical modeling based on density functional theory can consistently generate an accurate description of the potential energy surface. In most cases, molecular dynamics simulations based on density functional theory suffer from highly demanding computational costs. On the other hand, atomistic simulations based on …

Fast Neutron Assay Of Elemental Content Of Bulk Samples, Calder Emerson Lane

UNLV Theses, Dissertations, Professional Papers, and Capstones

The purpose of this research was to analyze the capabilities of fast neutrons in the detection and analysis of various isotopes in bulk samples. The deuterium-tritium (DT) fusion reaction generates highly penetrating, high-energy (14.1-MeV) neutrons which induce nuclear reactions in irradiated targets. Neutrons and gamma rays are generated in these reactions. Emitted gamma rays are characteristic of the emitter; the gamma spectrum enables stoichiometric identification of the assayed samples. Neutron backscattering can also be used for identification of the elemental composition of the sample.

This work had three objectives. The first objective was to develop a computational technique to model …

An Investigation Into Multi-View Error Correcting Output Code Classifiers Applied To Organ Tissue Classification, Daniel Alvarez

UNLV Theses, Dissertations, Professional Papers, and Capstones

Large amounts of data is being generated constantly each day, so much data that it is difficult to find patterns in order to predict outcomes and make decisions for both humans and machines alike. It would be useful if this data could be simplified using machine learning techniques. For example, biological cell identity is dependent on many factors tied to genetic processes. Such factors include proteins, gene transcription, and gene methylation. Each of these factors are highly complex mechanism with immense amounts of data. Simplifying these can then be helpful in finding patterns in them. Error-Correcting Output Codes (ECOC) does …

Three-Dimensional (3d) Characterization Of The Middle Ordoovician (Darriwilian) Strata In The Southern Great Basin, Western United States, Uday Mohamed Baheej Kara Ali

UNLV Theses, Dissertations, Professional Papers, and Capstones

Carbonates are mostly produced in shallow-marine environments and their deposition is sensitive to water depth changes on carbonate platforms. The water depth in depositional environments of a particular carbonate platform is controlled by the interplay of eustatic sea-level change, tectonic subsidence, platform morphology, and depositional rate. Due to the morphological variations of carbonate platforms in different tectonic settings, facies distribution across carbonate platforms varies significantly even during a single eustatic sea-level cycle. Carbonate platforms developed on passive continental margins are thought to be the most stable platforms and their facies distribution is commonly taken as examples in textbook depositional models. …

Chemical And Electronic Surface Structure Of Chalcopyrite-Based Thin Films For Solar Water Splitting, James C. Carter

UNLV Theses, Dissertations, Professional Papers, and Capstones

In recent years, various thin film solar devices have reached markedly high efficiencies on both the laboratory and large area scale. To further evaluate their potential, and help drive device optimization of efficient solar devices, a detailed understanding of the chemical and electronic structure of the surfaces and interfaces is required. It is these interfaces that play a pivotal role in dictating aspects of device performance. Chalcopyrite-based materials, such as Cu(In,Ga)S2 (CIGS) are regarded as one of the most promising absorber materials for use in highly efficient solar devices. In the context of photoelectrochemical (PEC) hydrogen generation, the tunability of …

An Evaluation Of Bank Storage At Lake Mead Reservoir In The Southwest United States, Jon Woodrow Wilson

UNLV Theses, Dissertations, Professional Papers, and Capstones

A water balance model is employed at Lake Mead to monitor and verify changing hydrology that affects total volume at the reservoir. Bank storage, which is defined as the volume of water captured in permeable lithologic layers subject to changes induced by contact and proximity to an open waterbody, is one component that is updated regularly and is based upon data and methods that were developed in the 1960’s from observations made within the first 30 years of the reservoir's maturation. Since this period, the reservoir has undergone further development and a current understanding of additional hydrologic affects to bank …

A Framework For Vector-Weighted Deep Neural Networks, Carter Chiu

UNLV Theses, Dissertations, Professional Papers, and Capstones

The vast majority of advances in deep neural network research operate on the basis of a real-valued weight space. Recent work in alternative spaces have challenged and complemented this idea; for instance, the use of complex- or binary-valued weights have yielded promising and fascinating results. We propose a framework for a novel weight space consisting of vector values which we christen VectorNet. We first develop the theoretical foundations of our proposed approach, including formalizing the requisite theory for forward and backpropagating values in a vector-weighted layer. We also introduce the concept of expansion and aggregation functions for conversion between real …

Abiotic, Biotic, And Bio-Enhanced Reduction Of Hexavalent Chromium, Chloroform And Co-Contaminants Using Nano-Scale Zero Valent Iron In Highly Contaminated Groundwater, Eduardo Robleto Martinez

UNLV Theses, Dissertations, Professional Papers, and Capstones

Investigations of groundwater in a former industrial perchlorate manufacturing site have shown high contamination with perchlorate, chlorate, nitrate, hexavalent chromium (Cr (VI)), and chloroform (CF) with levels greater than 3,000, 30,000, 300, 100, and 4 mg/L, respectively. Remediation efforts using biological reduction to desired contaminant levels at this site has been challenging due to high contaminant concentrations, and high total dissolved solids (TDS). Furthermore, removal of Cr(VI) and CF in the presence of nitrate, chlorate, and perchlorate has not been examined at the contaminated site. Nano-scale Zero-Valent-Iron (NZVI) has been effective at reducing groundwater contamination both with and without bacterial …