Physical Sciences and Mathematics Commons^™

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 …

An Application Of Conformal Mapping To The Boundary Element Method For Unconfined Steady Seepage With A Phreatic Surface, Jorge Eduardo Reyes

UNLV Theses, Dissertations, Professional Papers, and Capstones

In this thesis, numerical results using the Boundary Element Method (BEM) for groundwater flow in a domain with a boundary that contains numerous singularities with a phreatic surface are developed. The flow in the domain is modeled using Darcy’s law for a homogeneous isotropic porous medium. The boundary conditions are a combination of Dirichlet and Neumann with the phreatic surface having both boundary conditions. Exact solutions by Conformal Mapping for simplified domains with the same singularity as the original domain allow for modifications to the BEM resulting in an improvement to the numerical solution.

An iterative process is used to …

Performance Comparison Of Message Queue Methods, Sanika Raje

UNLV Theses, Dissertations, Professional Papers, and Capstones

Message queues are queues of messages that facilitate communication between applications. A queue is a line of messages or events waiting to be handled in a sequential manner. A message queue is a queue of messages sent between applications. It includes a sequence of work objects that are waiting to be processed. For a distributed system to work, it needs to pass information between various machines. No single machine is responsible for the entire system, but all information is interrelated. Hence a major concern of distributed systems is this transfer of data. Which also proves to be one of the …

Microstructural Effects On Photocatalytic Performance In Ag3po4/Bi2moo6 Z-Scheme Photocatalyst Systems, Kaleab Mengesha Ayalew

UNLV Theses, Dissertations, Professional Papers, and Capstones

As the world population continues to grow and access to modern industry become increasingly common, humanity finds itself amid an environmental and energy crisis. Natural resources, such as clean water are getting scarce. Currently, the development of high efficiency, green energy sources, and eco-friendly methods for water treatment have become a nonelective task. As a result, photocatalysis, as one of the most promising technologies in utilizing solar energy and pollutant removal, has attracted considerable attention.

However, the practical application of photocatalysis is still elusive because of the difficulty of finding an individual material that can satisfy all the requirements for …

Managing Iot Data On Hyperledger Blockchain, Akhil David

UNLV Theses, Dissertations, Professional Papers, and Capstones

Blockchain is a rapidly evolving technology known for its security, immutability and decentralized nature. At its heart, it’s used for storing various kinds of data like transactions. But it is not limited to just the transactions or the cryptocurrency. It can also be used to store many other things like assets, IoT data or even multimedia data like songs, pictures, and videos.

The number of IoT devices being connected to the internet is increasing day by day. In fact, Garter (Analyst Firm) predicts there will be 20.4 Billion IoT devices by the end of 2020 [IOTb]. With the increase in …

Coarse-Grained, Fine-Grained, And Lock-Free Concurrency Approaches For Self-Balancing B-Tree, Edward R. Jorgensen Ii

UNLV Theses, Dissertations, Professional Papers, and Capstones

This dissertation examines the concurrency approaches for a standard, unmodified B-Tree which is one of the more complex data structures. This includes the coarse grained, fine-grained locking, and the lock-free approaches. The basic industry standard coarse-grained approach is used as a base-line for comparison to the more advanced fine-grained and lock-free approaches. The fine-grained approach is explored and algorithms are presented for the fine-grained B-Tree insertion and deletion. The lock-free approach is addressed and an algorithm for a lock-free B- Tree insertion is provided. The issues associated with a lock-free deletion are discussed. Comparison trade-offs are presented and discussed. As …

Application Of Semi-Hydrophobic Layers To Decrease Bare Soil Evaporation, Jesse Lee Barnes

UNLV Theses, Dissertations, Professional Papers, and Capstones

Evaporative water loss from bare agricultural soils is a primary area of water conservation research. Mulching is the commonly utilized method to decrease evaporative water loss. The most commonly utilized mulch is nonbiodegradable polyethylene sheeting because it tends to decrease evaporative water loss and increase crop yields more than environmentally friendly mulches. This study aimed to test the utility of sand coated with polymerized soybean oil (i.e., hydrophobic sand) as a treatment to reduce bare soil evaporation and an alternative to current practices. Evaporation rates were measured in laboratory soil columns containing both treated and untreated soils. Treatment parameters were …

Improving Ocr Post Processing With Machine Learning Tools, Jorge Ramon Fonseca Cacho

UNLV Theses, Dissertations, Professional Papers, and Capstones

Optical Character Recognition (OCR) Post Processing involves data cleaning steps for documents that were digitized, such as a book or a newspaper article. One step in this process is the identification and correction of spelling and grammar errors generated due to the flaws in the OCR system. This work is a report on our efforts to enhance the post processing for large repositories of documents.

The main contributions of this work are:

• Development of tools and methodologies to build both OCR and ground truth text correspondence for training and testing of proposed techniques in our experiments. In particular, we …

Static Malware Detection Using Deep Neural Networks On Portable Executables, Piyush Aniruddha Puranik

UNLV Theses, Dissertations, Professional Papers, and Capstones

There are two main components of malware analysis. One is static malware analysis and the other is dynamic malware analysis. Static malware analysis involves examining the basic structure of the malware executable without executing it, while dynamic malware analysis relies on examining malware behavior after executing it in a controlled environment. Static malware analysis is typically done by modern anti-malware software by using signature-based analysis or heuristic-based analysis.

This thesis proposes the use of deep neural networks to learn features from a malware’s portable executable (PE) to minimize the occurrences of false positives when recognizing new malware. We use the …

Factors Associated With Eosinophilic Esophagitis In Nevada, Julia Lorraine Anderson

UNLV Theses, Dissertations, Professional Papers, and Capstones

Eosinophilic esophagitis (EoE) is a rare immune-mediated illness with symptoms that range from difficulty swallowing to food impaction of the esophagus. Most published studies have been documented among patients residing in cool regions with significant annual rainfall. No published studies to our knowledge have been performed examining the healthcare utilization trends of EoE in Nevada. Utilizing two unique databases, the factors associated with EoE healthcare utilization patterns in Nevada were examined. All analyses were performed in R version 3.5.1. This study included a demographic and regional analysis identifying risk factors associated with having an EoE healthcare visit in Nevada. Several …

Processj: The Jvmcsp Code Generator, Oswaldo Benjamin Cisneros Merino

UNLV Theses, Dissertations, Professional Papers, and Capstones

We as a society have achieved greatness because we work together. There is power in numbers. However, when it comes to programming we have not been able to achieve the same level of symbiosis. This is because concurrent programming has been stigmatized as an advance and ab- stract subject allegedly harder than sequential programming. Additionally, traditional approaches to solving concurrent problems using sequential programming become unnecessarily difficult be- cause most of what newcomers are taught when it comes to concurrent programming (e.g., message passing and threads), while being technically correct, is completely irrelevant to the problems at hand. Rather than …

Circumbinary Disk Inner Radius As A Diagnostic For Disk–Binary Misalignment, Alessia Franchini, Stephen H. Lubow, Rebecca G. Martin

Physics & Astronomy Faculty Research

We investigate the misalignment of the circumbinary disk around the binary HD 98800 BaBb with eccentricity e sime 0.8. Kennedy et al. observed the disk to be either at an inclination of 48° or polar aligned to the binary orbital plane. Their simulations showed that alignment from 48° to a polar configuration can take place on a shorter timescale than the age of this system. We perform hydrodynamical numerical simulations in order to estimate the cavity size carved by the eccentric binary for different disk inclinations as an independent check of polar alignment. Resonance theory suggests that torques on the …

Stereodynamical Control Of A Quantum Scattering Resonance In Cold Molecular Collisions, Pablo G. Jambrina, James F.E. Croft, Hua Guo, Mark Brouard, Balakrishnan Naduvalath, F. Javier Aoiz

Chemistry and Biochemistry Faculty Research

Cold collisions of light molecules are often dominated by a single partial wave resonance. For the rotational quenching of HD (v=1, j=2) by collisions with ground state para-H2, the process is dominated by a single L=2 partial wave resonance centered around 0.1 K. Here, we show that this resonance can be switched on or off simply by appropriate alignment of the HD rotational angular momentum relative to the initial velocity vector, thereby enabling complete control of the collision outcome.

The Delay Time Of Gravitational Wave — Gamma-Ray Burst Associations, Bing Zhang

Physics & Astronomy Faculty Research

The first gravitational wave (GW) — gamma-ray burst (GRB) association, GW170817/GRB 170817A, had an offset in time, with the GRB trigger time delayed by ∼1.7 s with respect to the merger time of the GW signal. We generally discuss the astrophysical origin of the delay time, Δt, of GW-GRB associations within the context of compact binary coalescence (CBC) — short GRB (sGRB) associations and GW burst — long GRB (lGRB) associations. In general, the delay time should include three terms, the time to launch a clean (relativistic) jet, Δtjet; the time for the jet to break out from the surrounding …

A Comprehensive Assessment Of The Low-Temperature Thermal Properties And Thermodynamic Functions Of Ceo2, Tyler D. Morrison, Elizabeth Sooby Wood, Phillippe F. Weck, Eunja Kim, Sung Oh Woo, Andrew T. Nelson, Donald G. Naugle

Physics & Astronomy Faculty Research

Reported is an experimental and computational investigation of the low temperature heat capacity, thermodynamic functions, and thermal conductivity of stoichiometric, polycrystalline CeO2. The experimentally measured heat capacity at T... (See full abstract in article).

Cmip5 Models' Ability To Capture Observed Trends Under The Influence Of Shifts And Persistence: An In-Depth Study On The Colorado River Basin, Kazi Ali Tamaddun, Ajay Kalra, Sanjiv Kumar, Sajjad Ahmad

Civil and Environmental Engineering and Construction Faculty Research

This study evaluated the ability of phase 5 of the Coupled Model Intercomparison Project (CMIP5) to capture observed trends under the influence of shifts and persistence in their data distributions. A total of 41 temperature and 25 precipitation CMIP5 simulation models across 22 grid cells (2.5° × 2.5° squares) within the Colorado River basin were analyzed and compared with the Climate Research Unit Time Series (CRU-TS) observed datasets over a study period of 104 years (from 1901 to 2004). Both the modeled simulations and observations were tested for shifts, and the time series before and after the shifts were analyzed …

Fault Slip And Exhumation History Of The Willard Thrust Sheet, Sevier Fold‐Thrust Belt, Utah: Relations To Wedge Propagation, Hinterland Uplift, And Foreland Basin Sedimentation, W. A. Yonkee, Bryan Eleogram, Michael L. Wells, Daniel F. Stockli, Shari Kelley, D. E. Barber

Geoscience Faculty Research

Zircon (U‐Th)/He (ZHe) and zircon fission track thermochronometric data for 47 samples spanning the areally extensive Willard thrust sheet within the western part of the Sevier fold‐thrust belt record enhanced cooling and exhumation during major thrust slip spanning approximately 125–90 Ma. ZHe and zircon fission track age‐paleodepth patterns along structural transects and age‐distance relations along stratigraphic‐parallel traverses, combined with thermo‐kinematic modeling, constrain the fault slip history, with estimated slip rates of ~1 km/Myr from 125 to 105 Ma, increasing to ~3 km/Myr from 105 to 92 Ma, and then decreasing as major slip was transferred onto eastern thrusts. Exhumation was …

Topological Nodal Line Semimetals In Graphene Network Structures, Jian-Tao Wang, Hongming Weng, Chengfeng Chen

Physics & Astronomy Faculty Research

Topological semimetals are a fascinating class of quantum materials that possess extraordinary electronic and transport properties. These materials have attracted great interests in recent years for their fundamental significance and potential device applications. There have been intensive studies suggested that three-dimensional graphene networks support topological semimetals with two types of continuous nodal lines: one is to form closed nodal rings in Brillouin zone and the other ones traversing the whole Brillouin zone to be periodically connected. Carbon has negligible spin-orbit coupling, non-magnetism and great diversity of allotropes, which makes it very promising in realizing topological nodal line semimetals. Here we …

On Neutralization Of Charged Black Holes, Yi Gong, Zhoujian Cao, He Gao, Bing Zhang

Physics & Astronomy Faculty Research

For non-spinning, charged (Reissner–Nordström) black holes, the particles with an opposite sign of charge with respect to that of the black hole will be pulled into the black hole by the extra electromagnetic force. Such a hole will be quickly neutralized so that there should not exist significantly charged, non-spinning black holes in the universe. The case of spinning, charged (Kerr–Newmann, KN) black holes is more complicated. For a given initial position and initial velocity of the particle, an oppositely charged particle does not always more easily fall into the black hole than a neutral particle. The possible existence of …

A New Plumbing System Framework For Mantle Plume-Related Continental Large Igneous Provinces And Their Mafic-Ultramafic Intrusions, Richard E. Ernst, Dustin A. Liikane, Simon M. Jowitt, K. L. Buchan, J. A. Blanchard

Geoscience Faculty Research

The magmatic components of continental Large Igneous Provinces (LIPs) include flood basalts and their plumbing system of giant mafic dyke swarms (radiating, linear, and the recently discovered circumferential type), mafic sill provinces, a lower crustal magmatic underplate, mafic-ultramafic (M–UM) intrusions, associated silicic magmatism, and associated carbonatites and kimberlites. This paper proposes a new plumbing system framework for mantle plume-related continental LIPs that incorporates all of these components, and provides a context for addressing key thematic aspects such as tracking magma batches “upstream” and “downstream” and their geochemical evolution, assessing the setting of M-UM intrusions and their economic potential, interpreting deep …

An Unexpected Rhenium(Iv)–Rhenium(Vii) Salt: [Co(Nh3)6]3[Reviio4][Reivf6]46h2o, James Louis_Jean, Samudee Mariappan Balasekaran, Adelheid Hagenbach, Frederic Poineau

Chemistry and Biochemistry Faculty Research

The title hydrated salt, tris[hexaamminecobalt(III)] tetraoxidorhenate(VII) tetrakis[hexafluoridorhenate(IV)] hexahydrate, arose unexpectedly due to possible contamination of the K2ReF6 starting material with KReO4. It consists of octahedral [Co(NH3)6] 3+ cation (Co1 site symmetry 1), tetrahedral [ReVIIO4] anions (Re site symmetry 1) and octahedral [ReIVF6] 2 anions (Re site symmetries 1and 3). The [ReF6] 2 octahedral anions (mean Re—F = 1.834 A˚ ), [Co(NH3)6] 3+ octahedral cations (mean Co—N = 1.962 A˚ ), and the [ReO4] tetrahedral anion (mean Re—O = 1.719 A˚ ) are slightly distorted. A network of N—HF hydrogen bonds consolidates the structure. The crystal studied was refined as a …

A Vacancy-Rich, Partially Inverted Spinelloid Silicate, (Mg,Fe,Si)(2)(Si,)O-4, As A Major Matrix Phase In Shock Melt Veins Of The Tenham And Suizhou L6 Chondrites, Oliver Tschauner, Chi Ma, Luca Bindi, John R. Beckett, Xiande Xie

Geoscience Faculty Research

A new high‐pressure silicate, (Mg,Fe,Si)2(Si,□)O4 with a tetragonal spinelloid structure, was discovered within shock melt veins in the Tenham and Suizhou meteorites, two highly shocked L6 ordinary chondrites. Relative to ringwoodite, this phase exhibits an inversion of Si coupled with intrinsic vacancies and a consequent reduction of symmetry. Most notably, the spinelloid makes up about 30–40 vol% of the matrix of shock veins with the remainder composed of a vitrified (Mg,Fe)SiO3 phase (in Tenham) or (Mg,Fe)SiO3‐rich clinopyroxene (in Suizhou); these phase assemblages constitute the bulk of the matrix in the shock veins. Previous assessments of the melt matrices concluded that …

Geometric Phase Effects In Ultracold Chemical Reactions, Brian K. Kendrick, Balakrishnan Naduvalath

Chemistry and Biochemistry Faculty Research

The role of the geometric phase effect in chemical reaction dynamics has long been a topic of active experimental and theoretical investigations. The topic has received renewed interest in recent years in cold and ultracold chemistry where it was shown to play a decisive role in state-to-state chemical dynamics. We provide a brief review of these developments focusing on recent studies of O + OH and hydrogen exchange in the H + H2 and D + HD reactions at cold and ultracold temperatures. Non-adiabatic effects in ultracold chemical dynamics arising from the conical intersection between two electronic potential energy surfaces …

Twenty-Three Unsolved Problems In Hydrology (Uph) -- A Community Perspective, Günter Blöschl, Marc F.P. Bierkens, Antonio Chambel, Christophe Cudennec, Georgia Destouni, Aldo Fiori, James W. Kirchner, Jeffrey J. Mcdonnell, Hubert H.G. Savenjie, Murugesu Sivapalan, Christine Stumpp, Elena Toth, Elena Volpi, Gemma Carr, Claire Lupton, Jose Salinas, Borbala Szeles, Alberto Viglione, Hafzullah Aksoy, Scott T. Allen, Anam Amin, Vazken Andreassian, Berit Arheimer, Santosh K. Aryal, Victor Baker, Earl Bardsley, Marlies H. Barendrecht, Alena Bartosova, Okke Batelaan, Wouter R. Berghuijs, Keith Beven

Geoscience Faculty Research

This paper is the outcome of a community initiative to identify major unsolved scientific problems in hydrology motivated by a need for stronger harmonisation of research efforts. The procedure involved a public consultation through online media, followed by two workshops through which a large number of potential science questions were collated, prioritised, and synthesised. In spite of the diversity of the participants (230 scientists in total), the process revealed much about community priorities and the state of our science: a preference for continuity in research questions rather than radical departures or redirections from past and current work. Questions remain focused …

A Soft-Robotic Harbor Porpoise Pectoral Fin Driven By Coiled Polymer Actuators As Artificial Muscles, Robert Hunt, Sarah Trabia, Zakai Olsen, Kwang Kim

Mechanical Engineering Faculty Research

Biomimicry is an approach in science and engineering to overcome human challenges by designing materials and systems modeled after nature. Selected applications of biomimicry include catheters, hearing devices, and artificial appendages such as arms, legs, and fingers. The inspiration for this study is the hydrofoil-like structured pectoral fin of the harbor porpoise whale that is ultimately useful for studying fluid-structure interactions, drag, lift, and laminar-to-turbulent transitions. The pectoral fin is fabricated by manipulating computed tomography (CT) scans into 3D models using Simpleware ScanIP and post-processed in Autodesk for printing. An array of thermally driven coiled polymer actuators (CPA) fabricated from …

Hadoop Performance Analysis Model With Deep Data Locality, Sungchul Lee, Ju-Yeon Jo, Yoohwan Kim

Computer Science Faculty Research

Background: Hadoop has become the base framework on the big data system via the simple concept that moving computation is cheaper than moving data. Hadoop increases a data locality in the Hadoop Distributed File System (HDFS) to improve the performance of the system. The network traffic among nodes in the big data system is reduced by increasing a data-local on the machine. Traditional research increased the data-local on one of the MapReduce stages to increase the Hadoop performance. However, there is currently no mathematical performance model for the data locality on the Hadoop. Methods: This study made the Hadoop performance …

Rotational Quenching Of Hd Induced By Collisions With H2 Molecules, Yier Wan, Nadulvalath Balakrishnan, B. H. Yang, R. C. Forrey, P. C. Stancil

Chemistry and Biochemistry Faculty Research

Rate coefficients for rotational transitions in HD induced by H2 impact for rotational levels of HD j ≤ 8 and temperatures 10 K ≤ T ≤ 5000 K are reported. The quantum mechanical close-coupling (CC) method and the coupled-states (CS) decoupling approximation are used to obtain the cross-sections employing the most recent highly accurate H2–H2 potential energy surface (PES). Our results are in good agreement with previous calculations for low-lying rotational transitions The cooling efficiency of HD compared with H2 and astrophysical applications are briefly discussed.

How Bright Are Fast Optical Bursts Associated With Fast Radio Bursts?, Yuan-Pei Yang, Bing Zhang, Jian-Yan Wei

Physics & Astronomy Faculty Research

The origin of fast radio bursts (FRBs) is still unknown. Multiwavelength observations during or shortly after the FRB phase would be essential to identify the counterpart of an FRB and to constrain its progenitor and environment. In this work, we investigate the brightness of the “fast optical bursts” (FOBs) associated with FRBs and the prospects of detecting them. We investigate several inverse Compton (IC) scattering processes that might produce an FOB, including both the one-zone and two-zone models. We also investigate the extension of the same mechanism of FRB emission to the optical band. We find that a detectable FOB …

The Purported Square Ice In Bilayer Graphene In A Nanoscale, Monolayer Object, Tod A. Pascal, Craig P. Schwartz, Keith V. Lawler, David Prendergast

Chemistry and Biochemistry Faculty Research

The phase diagram of water is complex, and interfacial effects can stabilize unusual structures at the nanoscale. Here, we employ bond order accelerated molecular dynamics simulations to show that upon encapsulation within bilayer graphene, water can spontaneously adopt a two-dimensional (monomolecular) layer of “square ice” at ambient conditions, instead of an encapsulated water droplet. Free energy calculations show that this motif is thermodynamically stable up to diameters of approximately 15 nm due to enhanced hydrogen bonding and favorable binding to the graphene sheets. Entropic losses due to solidification and reduced graphene–graphene binding enthalpy are opposing thermodynamic forces that conspire to …

Equivalency Of Indirect And Direct Potable Reuse Paradigms Based On A Quantitative Microbial Risk Assessment Framework, Erfaneh Amoueyan, Yongsheng He, Hongjie Wu, Chuanwei Zhu, Shichun Huang, Jian Huang

Civil and Environmental Engineering and Construction Faculty Research

Due to rapid growth in the potable reuse industry, there is a need to better characterize the associated pathogen risks and degree of attenuation achieved by various treatment trains. It is also important to understand how emerging treatment frameworks compare to the historical practice of de facto reuse. As such, the goals of this study were to (1) evaluate the equivalency of indirect potable reuse (IPR) and direct potable reuse (DPR) systems; (2) compare alternative treatment trains; and (3) identify the design components and operational conditions that are most critical to minimizing public health risks. To this end, we developed …