Physical Sciences and Mathematics Commons^™

Pyxtal_Ff: A Python Library For Automated Force Field Generation, Howard Yanxon, David Zagaceta, Binh Tang, David S. Matteson, Qiang Zhu

Physics & Astronomy Faculty Research

We present PyXtal_FF—a package based on Python programming language—for developing machine learning potentials (MLPs). The aim of PyXtal_FF is to promote the application of atomistic simulations through providing several choices of atom-centered descriptors and machine learning regressions in one platform. Based on the given choice of descriptors (including the atom-centered symmetry functions, embedded atom density, SO4 bispectrum, and smooth SO3 power spectrum), PyXtal_FF can train MLPs with either generalized linear regression or neural network models, by simultaneously minimizing the errors of energy/forces/stress tensors in comparison with the data from ab-initio simulations. The trained MLP model from PyXtal_FF is interfaced with …

3d Numerical Simulation-Based Targeting Of Skarn Type Mineralization Within The Xuancheng-Magushan Orefield, Middle-Lower Yangtze Metallogenic Belt, China, Xunyu Hu, Xiaohui Li, Feng Yuan, Simon M. Jowitt, Alison Ord, Rui Ye, Yue Li, Wenqiang Dai, Xiangling Li

Geoscience Faculty Research

Recent exploration has identified a series of Cu-Mo skarn deposits within the Xuancheng-Magushan orefield. The orefield forms part of the Nanling-Xuancheng mining district, which is located within the Middle-Lower Yangtze River Metallogenic Belt (MLYRMB) of central-eastern China. However, this area contains thick and widespread unprospective sedimentary cover sequences that have impeded traditional approaches to mineral exploration. This study presents the results of 3D numerical simulation modeling that identifies possible mineral exploration targets within the entire Xuancheng-Magushan orefield. This modeling enables the identification of unexplored areas with significant exploration potential that are covered by thick sedimentary sequences that cannot be easily …

Two New Finite Element Schemes And Their Analysis For Modeling Of Wave Propagation In Graphene, Jichun Li

Mathematical Sciences Faculty Research

© 2020 The Author(s) In this paper, we investigate a system of governing equations for modeling wave propagation in graphene. Compared to our previous work (Yang et al., 2020), here we re-investigate the governing equations by eliminating two auxiliary unknowns from the original model. A totally new stability for the model is established for the first time. Since the finite element scheme proposed in Yang et al. (2020) is only first order in time, here we propose two new schemes with second order convergence in time for the simplified modeling equations. Discrete stabilities inheriting exactly the same form as the …

Light Conditions During Desiccation And Rehydration Impact The Recovery Of Cultured Timmiella Crassinervis, Sotodeh Ebrahimi

UNLV Theses, Dissertations, Professional Papers, and Capstones

Many terrestrial mosses of xeric environments experience excess light during extended periods of desiccation. While dry or hydrated, excess light energy can lead to formation of reactive oxygen species and photoinhibition (e.g. damage to Photosystem II) which affects photosynthetic stress and efficiency. This study aimed to determine the effect of duration dry and light intensity (PAR) on cultured shoots of the chaparral moss Timmiella crassinervis, as well as to elucidate the optimal rehydration light conditions for this species. I hypothesized that 1) mosses exposed to higher light intensities during desiccation would incur more damage upon rehydration than those exposed to …

Bayesian Variable Selection Methods For Genome-Wide Association Studies With Categorical Phenotypes, Benazir Rowe

UNLV Theses, Dissertations, Professional Papers, and Capstones

Genome-wide association studies (GWAS) attempt to find the associations between genetic markers and studied traits (phenotypes). The problem of GWAS is complex and various methods have been developed to approach it. One of such methods is Bayesian variable selection (BVS). We describe the BVS methods in detail and demonstrate the ability of BVS method Posterior Inference via Model Averaging and Subset Selection (piMASS) to improve the power of detecting phenotype-associated genetic loci, potentially leading to new discoveries from existing data without increasing the sample size.

We present several ways to improve and extend the applicability of piMASS for GWAS. The …

Equivalences Of Determinacy Between Levels Of The Borel Hierarchy And Long Games, And Some Generalizations, Katherine Aimee Yost

UNLV Theses, Dissertations, Professional Papers, and Capstones

This thesis will be primarily focused on directly proving that the determinacy of Borel games in X^ω is equivalent to the determinacy of certain long open games, from a fragment of ZFC that’s well-known to be insufficient to prove Borel determinacy. The main theorem is a level by level result which shows the equivalence between determinacy of open games in a long tree, [Υ^α], and determinacy of Σ_0^α games in X^ω. In Chapter 9, we mimic the proof used in our main theorem to show that the determinacy of clopen games in the product space X^ω × ω^ω is equivalent …

Structure Analysis Of Natural Wangdaodeite—Linbo3-Type Fetio3, Oliver Tschauner, Chi Ma, Matthew G. Newville, Antonio Lanzirotti

Geoscience Faculty Research

© 2020 by the authors. Licensee MDPI, Basel, Switzerland. This paper reports the first structure refinement of natural wangdaodeite, LiNbO3-type FeTiO3 from the Ries impact structure. Wangdaodeite occurs together with recrystallized ilmenite clasts in shock melt veins which have experienced peak shock pressures of between 17 and 22 GPa. Comparison of natural and synthetic wangdaodeite points toward a correlation between the distortion of ferrate-and titanate-polyhedra and the c/a ratio of the unit cell. The Raman spectrum of wangdaodeite is calculated based on the refined structure. Comparison to the reported spectrum of the type-material shows that the Raman peak at 738–740 …

An Exploration Of The Numeracy Skills Required For Safe, Quality Nursing Practice, Anna Wendel

UNLV Theses, Dissertations, Professional Papers, and Capstones

The purpose of this study was to explore the numeracy skills required for safe, quality nursing practice. Using a descriptive mixed methods design, this study answered two research questions: 1) What numeracy skills do nurses perceive as important for providing safe, quality nursing care in the first three years of practice? 2) How do nurses incorporate numeracy skills into daily patient care during the first three years of practice? Early career nurses from a not-for-profit health care organization in the mid-Atlantic region of the United States (n=109) responded to an online survey tool developed by the student investigator that ranked …

Vibration Overtone Hyperpolarizability Measured For H2 Using Electric Field Induced Second Harmonic Generation, Rachel Ellis

UNLV Theses, Dissertations, Professional Papers, and Capstones

The vibrational contribution to the second hyperpolarizability (γ) of gas phase H2 was measured using electric field induced second harmonic generation. Measurements were made for the pure vibrational 3-0 Q(J) overtone transitions (v=0,J → v’=3,J for J = 0,1,2,3). Measured intensities were found to be 4-14% larger than ab initio calculations. The first chapter of this thesis provides an introduction to nonlinear optics, second harmonic generation, and the tensor nature of hyperpolarizabilities. The second chapter provides theoretical expressions for γ and relevant static and Raman polarizabilities. The third chapter covers the experimental design and electric field induced second harmonic generation. …

A Divide And Conquer With Semi-Global Failover For Software Defined Networks, Kasra Goravanchi

UNLV Theses, Dissertations, Professional Papers, and Capstones

Nowadays, many service providers need to provide many other functions than just a network connectivity. They also need to provide network functions such as network address translation, firewall, encryption, Domain Name Service (DNS), caching, routing and many other services. Usually these functions come with the hardware at the user or customer’s premises. This can increase the revenue of the revenue, but also can cost a lot and also be extremely difficult to maintain. Moreover, it is important to be able to configure the network and later modify the configuration to create fault tolerance and to prepare the system for future …

Tectonic Evolution Of The Tucki Mountain Metamorphic Core Complex, Southeastern California: Evidence For Late Cretaceous Extension Within The Sevier-Laramide Orogen, William Killey Barba

UNLV Theses, Dissertations, Professional Papers, and Capstones

The exhumation of Cordilleran metamorphic core complexes from mid-crustal depths in the western U.S. Basin and Range Province has been classically associated with Cenozoic extension. However, recent studies reveal that extensional tectonic exhumation of numerous metamorphic core complexes initiated during the Late Cretaceous. New geologic mapping and structural analysis integrated with geochronology and thermochronology data provide evidence for a Late Cretaceous extensional shear zone, previously interpreted as Miocene in age, within the Tucki Mountain metamorphic core complex on the western flank of Death Valley, California. The shear zone occurs within the immediate footwall of the Miocene-Pliocene Tucki Mountain detachment fault …

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 …

Synthesis, X-Ray Absorption, And X-Ray Diffraction Spectroscopy Studies Of Uranium Based Heavy Fermion Systems, Vahe Mkrtchyan

UNLV Theses, Dissertations, Professional Papers, and Capstones

Heavy fermion systems have attracted a great deal of interest since the discovery of the phenomenon in the 1970s. Over the past 35 years, the research in this field revealed a variety of unprecedented properties that the conventional theoretical framework considered conflicting or impossible. The subset of intermetallic compounds containing rare earth and actinide elements is of special interest, as these materials exhibit a range of exotic properties associated with 4f or 5f electrons. A thorough examination of the reports in the literature indicates a delicate interplay between the competing ground states, giving rise to anomalous properties including non-Fermi liquid …

A Fortified Extension Of The Aes And Its Implementation, Ashby Mullin

UNLV Theses, Dissertations, Professional Papers, and Capstones

With the advancement of quantum computing (QC), the integrity of cryptography has been called into question. For example, two QC algorithms have been developed that can break asymmetric encryption (i.e., Grover’s, Shor’s), which also poses a threat to symmetric encryption. Asymmetric encryption efforts addressing this threat include lattice-based cryptography, which uses lattice problems to reduce efficiency of cryptanalysis. Symmetric encryption security can be bolstered by increasing the key length, allowing for additional permutations a key could have; known as keyspace. This thesis seeks to expand the keyspace of symmetric encryption in order to create more possibilities. This fortification to the …

The Processj C++ Runtime System And Code Generator, Alexander Christian Thomason

UNLV Theses, Dissertations, Professional Papers, and Capstones

ProcessJ is a modern Process-Oriented language that builds on previous work from other languages like occam and occam-pi. However, the only readily-available runtime system is built on top of the Java Virtual Machine (JVM). This is not a choice made intentionally, but simply out of a lack of other implementations -- until now. This thesis introduces the new C++-based runtime system for ProcessJ, coupled with a new C++ code generator for the ProcessJ compiler. This thesis later examines the implementation details of the runtime system, including the components that make it up. We also examine the ability to cooperatively schedule …

Microbe-Mineral Interactions During Exceptional Fossil Preservation, Stromatolite Formation, And Desert Varnish Growth, Michael Strange

UNLV Theses, Dissertations, Professional Papers, and Capstones

The Ediacaran to Cambrian Deep Spring Formation consists of mixed carbonate-siliciclastic strata which contain an increasingly complex and biogeographically important biota. Past investigations of the Deep Spring Formation at Mt. Dunfee, Nevada, explored the highly diverse microbialite reefs consisting of a wide range of stromatolite morphologies which exerted significant control on local sedimentation and topography. Early investigations also documented the biomineralizing metazoan Cloudina (an Ediacaran index fossil). However, recent exploration of the area has resulted in the discovery of several new metazoan fossil communities consisting of a diverse assemblage of Ediacaran soft-tissue tubicolous vermiforms (tube fossils) similar to Cloudina. The …

Gardasil Vaccine Trends Within Nevada, California, And The U.S.: A Comparative Study, Karen S. Gutierrez

UNLV Theses, Dissertations, Professional Papers, and Capstones

Despite decreasing incidence in cervical cancer in the U.S., there continues to be an increase in public health concern for cervical cancer worldwide. Recent studies report that individuals are disproportionately affected based on region, sex, and race. Additionally, the human papillomavirus (HPV) attributable cancers may be reduced between 70% and 90% through the universal use of HPV-vaccines. In order to expand current knowledge and implement intervention programs in Nevada, it is critical to examine the associations among the Gardasil vaccine, cervical cancer screening, and adverse events following immunization as well as to understand the different socio-demographic subgroups affected. To our …

Constraining Viscous Protoplanetary Disk Models Using Alma Kinematic Observations, Ian Rabago

UNLV Theses, Dissertations, Professional Papers, and Capstones

Recent molecular line observations by ALMA have revealed the 3D velocity structure of protoplanetary disks, providing new insight on the mechanisms of disk accretion and ring/gap formation. Although the constant α viscous disk model has been widely used to describe the disk surface density evolution, it may not adequately describe the gas velocity at different disk heights. By carrying out viscous hydrodynamic simulations, we confirm that the vertical velocity structure varies considerably between these models. On the other hand, the surface density evolution of the disk is only dependent on the vertically integrated stress, and does not depend on a …

Effects Of Wildfire On Plant And Insect Pollinator Communities In The Mojave Desert, Nha Trang Vivian Sam

UNLV Theses, Dissertations, Professional Papers, and Capstones

The changing fire regime of landscapes across the Mojave Desert has prompted considerable research on its effects on plant community recovery, but it has not been widely studied what effects wildfire may have on native pollinators and the vital ecosystem services they provide. Ecological changes from increased wildfire severity from invasive exotic annual grasses will likely continue influencing pollinator habitats and floral resources. Understanding the effects that wildfires have on pollinators is valuable to make decisions as to whether active management and restoration activities are required to conserve ecologically vital pollinator functions. The intention of this thesis was to examine …

Initial Measurements On The Effect Of Stress On P- And S-Wave Velocities In Olivine, Taryn Traylor

UNLV Theses, Dissertations, Professional Papers, and Capstones

It is well known that elasticity is a key physical property in the determination of the structure and composition of the Earth and provides critical information for the interpretation of seismic data. This study investigates the stress-induced variation in elastic wave velocities, known as the acoustoelastic effect, in San Carlos olivine. A recently developed experimental ultrasonic acoustic system, the Directly Integrated Acoustic System Combined with Pressure Experiments (DIASCoPE), was used with the D-DIA multi-anvil apparatus to transmit ultrasonic sound waves and collect the reflections. We use the DIASCoPE to obtain longitudinal (P) and shear (S) elastic wave velocities from the …

Shakespeare’S As You Like It And James Cameron’S Avatar: Reharmonizing Society With Nature, Erin Rebecca Turner

UNLV Theses, Dissertations, Professional Papers, and Capstones

Shakespeare’s As You Like It is a comedy whose main character, Rosalind, is forced out of her home among the upper caste of society through no fault of her own, but because of an issue with her father. She moves into the pastoral unknown disguised as a man to avoid the issues that come traveling as a woman, outside the protection of the home. Along the way, she finds pleasure with the power she holds as a man. She is heard when she speaks as a man and she is given access to knowledge she would not be given as …

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 …

Response Of The Mode Grüneisen Parameters With Anisotropic Compression: A Pressure And Temperature Dependent Raman Study Of Β-Sn, Jasmine K. Hinton, Christian Childs, Dean Smith, Paul B. Ellison, Keith V. Lawler, Ashkan Salamat

Physics & Astronomy Faculty Research

The lattice dynamic response of body-centered tetragonal β−Sn (I41/amd) under high pressure and -temperature conditions is determined using experimental optical vibration modes. Raman scattering is used to map the phase stability region of β−Sn to perform mode Grüneisen analysis, and we demonstrate the necessity of an optical intensity calibration for Raman thermometry. The Grüneisen tensor is evaluated along a set of isotherms to address shortcomings of single-mode Grüneisen parameters with respect to anisotropic deformations of this tetragonal structured soft metal. The changes observed here in the Grüneisen tensor as a function of temperature are related to anharmonicity and denote potential …

What Martian Meteorites Reveal About The Interior And Surface Of Mars, Arya Udry, G. H. Howarth, C. D.K. Herd, J. M.D. Day, T. J. Lapen, J. Filiberto

Geoscience Faculty Research

Martian meteorites are the only direct samples from Mars, thus far. Currently, there are a total of 262 individual samples originating from at least 11 ejection events. Geochemical analyses, through techniques that are also used on terrestrial rocks, provide fundamental insights into the bulk composition, differentiation and evolution, mantle heterogeneity, and role of secondary processes, such as aqueous alteration and shock, on Mars. Martian meteorites display a wide range in mineralogy and chemistry, but are predominantly basaltic in composition. Over the past 6 years, the number of martian meteorites recovered has almost doubled allowing for studies that evaluate these meteorites …

Potential Application Of Ionic Liquids For Electrodeposition Of The Material Targets For Production Of Diagnostic Radioisotopes, Maciej Chotkowski, Damian Połomski, Kenneth Czerwinski

Chemistry and Biochemistry Faculty Research

An overview of the reported electrochemistry studies on the chemistry of the element for targets for isotope production in ionic liquids (ILs) is provided. The majority of investigations have been dedicated to two aspects of the reactive element chemistry. The first part of this review presents description of the cyclotron targets properties, especially physicochemical characterization of irradiated elements. The second part is devoted to description of the electrodeposition procedures leading to obtain elements or their alloys coatings (e.g., nickel, uranium) as the targets for cyclotron and reactor generation of the radioisotopes. This review provides an evaluation of the role ILs …

The Evolution Of A Circumplanetary Disc With A Dead Zone, Cheng Chen, Chao Chin Yang, Rebecca G. Martin, Zhaohuan Zhu

Physics & Astronomy Faculty Research

© 2021 Oxford University Press. All rights reserved. We investigate whether the regular Galilean satellites could have formed in the dead zone of a circumplanetary disc. A dead zone is a region of weak turbulence in which the magnetorotational instability is suppressed, potentially an ideal environment for satellite formation. With the grid-based hydrodynamic code FARGO3D, we examine the evolution of a circumplanetary disc model with a dead zone. Material accumulates in the dead zone of the disc leading to a higher total mass and but a similar temperature profile compared to a fully turbulent disc model. The tidal torque increases …

Lead Complexation By Humic Acids And Their Analogs: A Voltammetric Study, Spencer Steinberg, Vernon Hodge

Chemistry and Biochemistry Faculty Research

© 2020 by the authors. Licensee MDPI, Basel, Switzerland. Differential pulse polarography (DPP) was used to assess the interaction of Pb2+ with various humic acid analogs and several humic acids. DPP analysis demonstrated that the reduction peak maximum (Ep) for Pb2+ shifted to more negative values in the presence of humic acids and humic acid analogs. The observed Ep for Pb2+ in the presence of humic acids and humic acid analogs is influenced by ligand concentration, solution pH and Pb2+ concentration. Shifts in the Ep for Pb2+ are related to the reduction potential and can be rationalized using the Lingane …

Radiological Identification Of Near‐Surface Mineralogical Deposits Using Low‐Altitude Unmanned Aerial Vehicle, Peter G. Martin, Dean T. Connor, Natalia Estrada, Adel El-Turke, David Megson-Smith, Chris P. Jones, David K. Kreamer, Thomas B. Scott

Geoscience Faculty Research

An ever‐increasing global population and unabating technological growth have resulted in a relentless appetite for mineral resources, namely rare earth elements, fuel minerals and those utilised in electronics applications, with the price of such species continuing to climb. In contrast to more established large‐scale and high‐cost exploration methodologies, this work details the application of novel multi‐rotor unmanned aerial vehicles equipped with miniaturised radiation detectors for the objective of undertaking resource exploration at lower costs, with greater autonomy and at considerably enhanced higher spatial resolutions; utilizing the ore material’s inherent low levels of characteristic radioactivity. As we demonstrate at the former …

Xenon Iron Oxides Predicted As Potential Xe Hosts In Earth’S Lower Mantle, Feng Peng, Xianqi Song, Chang Liu, Quan Li, Maosheng Miao, Changfeng Chen, Yanming Ma

Physics & Astronomy Faculty Research

An enduring geological mystery concerns the missing xenon problem, referring to the abnormally low concentration of xenon compared to other noble gases in Earth’s atmosphere. Identifying mantle minerals that can capture and stabilize xenon has been a great challenge in materials physics and xenon chemistry. Here, using an advanced crystal structure search algorithm in conjunction with first-principles calculations we find reactions of xenon with recently discovered iron peroxide FeO2, forming robust xenon-iron oxides Xe2FeO2 and XeFe3O6 with significant Xe-O bonding in a wide range of pressure-temperature conditions corresponding to vast regions in Earth’s lower mantle. Calculated mass density and sound …

Countercurrent Actinide Lanthanide Separation Process (Alsep) Demonstration Test With A Simulated Purex Raffinate In Centrifugal Contactors On The Laboratory Scale, Andreas Wilden, Fabian Kreft, Dimitri Schneider, Zaina Paparigas, Giuseppe Modolo, Gregg J. Lumetta, Artem V. Gelis, Jack D. Law, Andreas Geist

Chemistry and Biochemistry Faculty Research

An Actinide Lanthanide Separation Process (ALSEP) for the separation of trivalent actinides (An(III)) from simulated raffinate solution was successfully demonstrated using a 32-stage 1 cm annular centrifugal contactor setup. The ALSEP solvent was composed of a mixture of 2-ethylhexylphosphonic acid mono-2-ethylhexyl ester (HEH[EHP]) and N,N,N′,N′-tetra-(2-ethylhexyl)-diglycolamide (T2EHDGA) in n-dodecane. Flowsheet calculations and evaluation of the results were done using the Argonne’s Model for Universal Solvent Extraction (AMUSE) code using single-stage distribution data. The co-extraction of Zr(IV) and Pd(II) was prevented using CDTA (trans-1,2-diaminocyclohexane-N,N,N′,N′-tetraacetic acid) as a masking agent in the feed. For the scrubbing of co-extracted Mo; citrate-buffered acetohydroxamic acid was …