Physical Sciences and Mathematics Commons^™

Upgrades To Nrlmol Code, Luis Basurto

Open Access Theses & Dissertations

This project consists of performing upgrades to the massively parallel NRLMOL electronic structure code in order to enhance its performance by increasing its flexibility by: a) Utilizing dynamically allocated arrays, b) Executing in a parallel environment sections of the program that were previously executed in a serial mode, c) Exploring simultaneous concurrent executions of the program through the use of an already existing MPI environment; thus enabling the simulation of larger systems than it is currently capable of performing. Also developed was a graphical user interface that will allow less experienced users to start performing electronic structure calculations by aiding …

Post-Pareto Optimality Methods For The Analysis Of Large Pareto Sets In Multi-Objective Optimization, Victor Manuel Carrillo

Open Access Theses & Dissertations

Multiple objective optimization involves the simultaneous optimization of more than one, possibly conflicting, objectives. Multiple objective optimization problems arise in a variety of real-world applications. In general, the main difference between single and multi-objective optimization is that in multi-objective optimization there is usually no single optimal solution, but a set of equally good alternatives with different trade-offs, also known as Pareto-optimal solutions. There are two general approaches to solve multiple objective optimization problems: mathematical methods and meta-heuristic methods. The first approach involves the aggregation of the attributes into a linear combination of the objective functions, also known as scalarization. The …

An Evaluation Of The Cerro Process As An Efficient Ro Concentrate Management System, Guillermo Guadalupe Delgado

Open Access Theses & Dissertations

The Concentrate Enhanced Recovery Reverse Osmosis (CERRO) Process is a new method to treat RO concentrate and brackish water with high concentrations of silica and calcium sulfate. Prior investigations have shown that the CERRO process can treat this kind of water without fouling or scaling the membranes, but the main factors that allow the system to operate in such conditions were not studied. The research presented here is an evaluation of the CERRO process as an efficient RO concentrate management system. The parameters of operation of the system were evaluated and improved. The precipitation of calcium sulfate was identified as …

Assessing The Equity Implications Of Greenspace Distribution In An Arid Region, Abdelatif Eldeb

Open Access Theses & Dissertations

In the last few decades, vegetation deterioration is receiving increased attention because of its adverse impacts on societal and human health, environmental sustainability, and quality of life. I have selected two cities in Chihuahua Desert region (El Paso and Juarez) as case study sites to develop a novel and applicable methodology for integrating remotely sensed data of different spectral and spatial resolutions into an analysis of the spatial distribution of an urban amenity. The primary objective of this research is to determine if the spatial distribution of greenspace in 2010 is equitable with respect to socio-demographics in El Paso and …

A Semantic Web-Based Methodology For Describing Scientific Research Efforts, Aida Gandara

Open Access Theses & Dissertations

Scientists produce research resources that are useful to future research and innovative efforts. In a typical scientific scenario, the results created by a collaborative team often include numerous artifacts, observations and relationships relevant to research findings, such as programs that generate data, parameters that impact outputs, workflows that describe processes, and publications, posters and presentations that explain results and findings. Scientists have options in what results to share and how to share them, however, there is no systematic approach to documenting scientific research and sharing it on the Web.

The goal of this research is to define a systematic approach …

Lead And Associated Heavy Metal Distribution In Ciudad Juarez, Mexico, Samia Elfituri Grimida

Open Access Theses & Dissertations

Concern over the extent and sources of heavy metals exposure has arisen worldwide since their significant effects have been discovered in the environment. There is general agreement that research is needed to examine the residual lead and its association to heavy metals contamination in soil and quantify the health hazards. This research was directed to quantify and document the geographic distribution of lead and associated heavy metals concentration in Ciudad Juarez, Mexico. Lead, cadmium, chromium, zinc, and copper were selected to analysis. The soil samples used in this research were collected during a previous Encountors Binational Community Lead Study (RO1ES …

Multiplicity Adjustments For Respecification Searches In Structural Equation Models, John Appiah Kubi

Open Access Theses & Dissertations

Structural Equation Modeling (SEM), as a statistical modeling technique, is one of the most comprehensive and flexible approaches to data analysis currently available. Its use has been increasing steadily over the past few decades. Generally, it refers to a family of

techniques that employs the analysis of covariance to establish relationships among a set of variables. It allows researchers (or users) to assess the adequacy of their hypothesized models with their sample data. Often times, in assessing their models, researchers are not

only interested in the overall fit of their model but they are also interested in knowing which proposed …

Comparison Of Bayesian Nonparametric Density Estimation Methods, Adel Bedoui

Open Access Theses & Dissertations

Density estimation has a long history in statistics. There are two main approaches to density, estimation parametric and nonparametric. The first approach requires specification of a family of densities f and estimation of the unknown parameter $\theta$ using a suitable estimation method, for example, maximum likelihood estimation. This approach may be prone to bias that arises from either estimation of the parameter or from incorrect specification of the probability distribution. The second approach, does not assume a specific parametric family.

In this thesis, we implement three density estimation methods that use Bayesian nonparametric approaches utilizing Markov Chain Monte Carlo methods. …

Investigation Of The Radiative Heat Release Factor Of Premixed Oxy-Syngas Flames, Martin De La Torre

Open Access Theses & Dissertations

A significant part of the United States is being powered by combustion devises relying on coal since it is abundant and is a high emitting source of electricity per unit energy, however; the burning of this fuel is responsible for a significant contribution for the pollutant emissions causing global warming. Because coal is one of the main sources of energy in the U.S. and around the globe, the scientific community has been investigating ways to meet current and future governmental emission requirements. It is now well established that radiating heat from the flame is a major contributor of the heat …

Pressure And Heat Flux Effects On The Heat Transfer Characteristics Of Liquid Methane, Chance Paul Garcia

Open Access Theses & Dissertations

The heat transfer effects on liquid methane are investigated with the use of a carbo-thermal rig at the Center for Space Exploration Technology Research (cSETR) located at the University of Texas at El Paso (UTEP). The cSETR carbo-thermal rig design approach is presented along with the design of a methane condensing mobile unit (MCMU) to supply the laboratory and rig with liquid methane. The proposed research will generate useful insight in to heat transfer coefficient behavior, non-dimensional correlations, different flow conditions, varied inlet conditions, and varied heat flux for a subscale test article applicable to a regenerative cooled rocket engine …

A Case Study Towards Verification Of The Utility Of Analytical Models In Selecting Checkpoint Intervals, Michael Joseph Harney

Open Access Theses & Dissertations

As high performance computing (HPC) systems grow larger, with increasing numbers of components, failures become more common. Codes that utilize large numbers of nodes and run for long periods of time must take such failures into account and adopt fault tolerance mechanisms to avoid loss of computation and, thus, system utilization. One of those mechanisms is checkpoint/restart. Although analytical models exist to guide users in the selection of an appropriate checkpoint interval, these models are based on assumptions that may not always be true. This thesis examines some of these assumptions, in particular, the consistency of parameters like Mean Time …

Application Of Various Remote Sensing And Aerial Photography Data Sets To Resolve Surface Structure In Areas Of Poor Exposure: Examples From Kamchatka Peninsula, Russia And Katalla Area, Alaska Usa, Sarah Natalie Heinlein

Open Access Theses & Dissertations

For many years now remote sensing data sets and application techniques of these various data have been routinely used in geological studies. Some of these studies are as basic as using Google Earth applications for general reconnaissance to more sophisticated methods for energy exploration or development of active tectonic models for a region. This dissertation presents data from two study areas within the northern pacific region utilizing a number of remote sensing and aerial photography data: 1) Kamchatka Peninsula, Russia, and 2) Katalla area of southern Alaska, USA. The Kamchatka Peninsula, Russia study evaluates surface geomorphology which includes the morphology …

Security Games With Interval Uncertainty, Md Towhidul Islam

Open Access Theses & Dissertations

Game theory has become an important tool in solving real-life decision making problems. Security games use the concept of game theory in adversarial scenarios to protect critical infrastructure. The main purpose of security games is to allocate security resources among various targets and maximize payoff for the defender considering various kinds of attackers. It is hard for domain experts to predict the attacker's behavior, so one of the major challenges in describing this game model is representing uncertainty about the attacker's payoff. Several approaches have been developed to generate these game models based on uncertainty, such as Bayesian games. However …

Optimization Of Biomass Logistics System Using Genetic Algorithm And Particle Swarm Optimization For Biofuel Production, Ethel Regina Martinez-Schabez

Open Access Theses & Dissertations

As time goes by, Renewable Energy keeps proving to be an important and potential replacement for fossil fuels. All the different types of Renewable Energy offer a relief to the environmental aftermaths of the prolonged reliance on fossil fuel energy. Bioenergy is one of the types of Renewable Energy that can help by minimizing the emissions of fossil fuels. The Energy Independence and Security Act mandates the use of 21 billion gallons of advanced biofuels including 16 billion gallons of cellulosic biofuels by the year 2022. Biomass and Biofuels can clearly become a significant aid to sustainably supply energy in …

Assessment Of Water Quality And Benthic Macroinvertebrate Community In A Wastewater Receiving Constructed Wetland, Jennifer Lynn Martinez

Open Access Theses & Dissertations

In the El Paso region around the 1930s there was a loss of riparian areas and wetlands due to canalization of the Rio Grande. In an attempt to bring back native flora and fauna that once flourished in the floodplain of the Rio Grande region, the creation of Rio Bosque Wetlands Park (RBWP; El Paso Co., TX) was initiated in 1995. As part of the construction agreement, El Paso Water Utilities agreed to provide water to fill the wetland upon its completion. Beginning in 1998, RBWP was filled with treated effluent from the adjacent Roberto Bustamante Wastewater Treatment Plant (WWTP) …

Organic Photovoltaics: A Charge Transfer Perspective In The Study Of Donor-Acceptor Systems, Marco Olguin

Open Access Theses & Dissertations

The present research involves the study of donor-acceptor (D/A) dyad complexes from a charge transfer energy perspective. The aim is to provide insight and predictive understanding into the charge transfer processes of the molecular-level components in donor-acceptor based organic solar cells using computational methods to describe photochemical processes at the quantum mechanical level within the Density Functional Theory (DFT) approximation. Predictive understanding is anchored in reproducing experimental results, wherein the present work a perturbative excited-state DFT method is described in detail and shown to give Charge Transfer (CT) energies in excellent agreement with benchmark experimental data. With an accurate excited …

Efficient, Scalable, Parallel, Matrix-Matrix Multiplication, Enrique Portillo

Open Access Theses & Dissertations

For the past decade, power/energy consumption has become a limiting factor for large-scale and embedded High Performance Computing (HPC) systems. This is especially true for systems that include accelerators, e.g., high-end computing devices, such as Graphics Processing Units (GPUs), with terascale computing capabilities and high power draws that greatly surpass that of multi-core CPUs. Accordingly, improving the node-level power/energy efficiency of an application can have a direct and positive impact on both classes of HPC systems.

The research reported in this thesis explores the use of software techniques to enhance the execution-time and power-consumption performance of applications executed on a …

Propagation Of Interval And Probabilistic Uncertainty In Cyberinfrastructure-Related Data Processing And Data Fusion, Christian Servin

Open Access Theses & Dissertations

Data uncertainty affects the results of data processing. So, it is necessary to find out how the data uncertainty propagates into the uncertainty of the results of data processing. This problem is especially important when cyberinfrastructure enables us to process large amounts of heterogeneous data. In the ideal world, we should have an accurate description of data uncertainty, and well-justified efficient algorithms to propagate this uncertainty. In practice, we are often not yet in this ideal situation: the description of uncertainty is often only approximate, and the algorithms for uncertainty propagation are often not well-justified and not very computationally efficient. …

Impact Of Cerium Oxide Nanoparticles On Cilantro (Coriandrum Sativum), Maria Isabel Morales

Open Access Theses & Dissertations

Studies have shown that plants exposed to ENPs suffer different types of stress. Other studies have revealed that plants can take up and accumulate CeO2 NPs without modification. Thus, these NPs could enter the food chain through edible plants, posing a threat for human health. Cilantro (Coriandrum sativum) is a worldwide culinary and medicinal plant consumed either as a fresh herb or a spice. In this research, cilantro plants were germinated and cultivated for 30 days in organic soil treated with CeO2 NPs at concentrations varying from 0 to 500 mg kg!1. Subsequently, plant organs were analyzed by using spectroscopic …

Model Fusion: A New Approach To Processing Heterogeneous Data, Omar Ochoa

Open Access Theses & Dissertations

In many practical situations, it is necessary to extract

information from data of different types. For example, in geosciences, several sources of data can be used to determine the interior structure of the earth: the first arriving waves from earthquakes and from man-made sources, measurements of the earth's gravity field, measurements of the dispersion of surface waves generated by earthquakes, etc. At present, most existing data processing techniques deal only with data of one type.

A joint use of all the information derived from multiple types of data sources is an important theoretical and practical challenge. Such a joint use …

Carbon Emissions From Soil Respiration In The Northern Chihuahuan Desert Shrubland, Anna Cristina Ortiz

Open Access Theses & Dissertations

The United States Department of Agriculture's Jornada Experimental Range (JER), is located in the northern Chihuahuan Desert in southern New Mexico and historically functioned as an experimental rangeland for cattle grazing. Historical grazing in the US Southwest has been identified as a leading, but not the sole, factor that has led to the conversion of pristine grasslands to shrublands, such has been the case on the JER. The estimated increased variability in precipitation intensity and frequency that is predicted to occur with climate warming will likely affect ecosystem responses from ecological processes including primary productivity, microbial decomposition, and thus respiration. …

Photochemical Synthesis Of Amino Acid And Peptide Oxo-Esters, Alfredo Ornelas

Open Access Theses & Dissertations

Amino acid and peptide oxo-esters have played an important role in peptide chemistry for many years. Various amino acid esters are commonly used as protecting groups for peptide synthesis in solution. Moreover, activated phenyl ester derivatives have been used for chemical ligation of peptides. However, the synthesis of amino acid and peptide oxo-esters is commonly performed under acidic or basic conditions. Under acidic conditions, acid-sensitive protecting groups may be cleaved, and under basic conditions racemization of amino acid esters is a common problem. Here we present the photochemical synthesis of amino acid and peptide oxo-esters. Based on the photochemical properties …

Novel Copper (Ii) Mediated Transfection Nano-Systems And Biological Properties Of Pyridinium Surfactants, Sarit Pal

Open Access Theses & Dissertations

Efficacy of gene therapy is relied upon the improvement of gene delivery vectors into mammalian cells. Although viral-based polynucleotide carriers are still considered as the most common method for gene delivery but the cost effectiveness, nonspecific lethal immune response has evoked the renaissance of non-viral synthetic delivery systems. An initial discovery by Felgnar et al showed Cationic Liposomes (CLs) (having an overall positive charge) when mixed with DNA to form CL-DNA complexes can enhance the transfer of polynucleotides into cells followed by its expression. Presently, a flurry of experimental works is taking place for the better understanding of structural characterization …

Geochemical Characterization Of Mineral Dust Sources In The Chihuahuan Desert And Southern High Plains Regions, Porfirio Peinado

Open Access Theses & Dissertations

The Chihuahuan Desert (northern Chihuahua, southern New Mexico, and far west Texas) and the southern High Plains (west Texas and eastern New Mexico) regions have been identified as one of the most persistent dust producing regions of North America. Regional-scale dust storms have been observed by satellite imagery to identify sources of dust, resulting in collection and examination of physical soil samples to better understand the source signatures (geochemical characteristics) of dust origins in these two regions.

The soil characteristics were examined through several techniques: Particle Size Distribution, X-Ray Diffraction (XRD), Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), and Total …

Unconstrained L1 Optimization With Applications To Signal And Image Processing, Carlos Andres Ramirez

Open Access Theses & Dissertations

In recent years, the applied mathematical community has witnessed a revolution that is changing the paradigm of classical signal and image processing. Novel and e efficient numerical algorithms have emerged for solving new challenges in large scale signal retrieval, where both constrained and unconstrained L1 minimization methods play a fundamental role.

In this work, we present a new methodology for solving unconstrained L1 minimization problems in the context of image and signal processing. Our approach consists in solving a sequence of relaxed unconstrained minimization problems depending on a positive regularization parameter that converges to zero. The optimality conditions of each …

Analysis Of Vehicle Interactions On Interstate Highways: Discrete Choice And Linear System Approaches, Alicia Romo

Open Access Theses & Dissertations

The research in this dissertation developed statistical and linear system models to predict driving behavior according to driver attributes, vehicle characteristics, car-following dynamics and/or driving conditions. The scope of this research was limited to the interaction of two vehicles traveling in the same direction on interstate highways.

The statistical models proposed in this research investigated the contributions of the different vehicle types on the manner and likelihood of collision. Discrete choice models were used to estimate the probability of the types of collision (rear-end, angle and sideswipe) as functions of driver attributes, striking and struck vehicle types, pre-crash driving actions …

Developing A Sustainable Ecotourism Foundation In Indonesian National Parks Using Cross-Cultural Adaptation And Communication Framing, Adriana Salas

Open Access Theses & Dissertations

Previous research on ecotourism in Southeast Asia has focused on its positive and negative effects for conservation. However, the focus in this particular study is to look at what it takes to run a successful ecotourism site in four diverse areas in Indonesia using communication elements like cross-cultural adaptation and communication framing. Communication should be used as a baseline for a successful site and should be used as the most useful tool to address issues and challenges in ecotourism project development.

A successful ecotourism site must carefully look at how their ideas and programs are framed. Ecotourism must also create …

A Convex Optimization Algorithm For Sparse Representation And Applications In Classification Problems, Reinaldo Sanchez Arias

Open Access Theses & Dissertations

In pattern recognition and machine learning, a classification problem refers to finding an algorithm for assigning a given input data into one of several categories. Many natural signals are sparse or compressible in the sense that they have short representations when expressed in a suitable basis. Motivated by the recent successful development of algorithms for sparse signal recovery, we apply the selective nature of sparse representation to perform classification. Any test sample is represented in an overcomplete dictionary with the training sample as base elements. A given test sample can be expressed as a linear combination of only those training …

An Approach To Power Efficiency Determination In The Solar Energy Systems Using Central Composite Design And Box-Behnken Design, Juan Venegas Mendez

Open Access Theses & Dissertations

We are living in an industrialized world that relies on fossil fuels. The ways, in which these fossil fuels have damaged the earth, in special the environment is worth of special attention and corrective actions. In our days, the climate change (global warming) it is becoming the number one topic. These changes are affecting our health, comfort and our way of living. Solar systems have been working among us since several years, but the truth is that most of us really don't understand how they work and more important, how they work in time in different conditions. Solar panels are …

Generalizations Of Dirichlet Convolution, Juan Carlos Villarreal

Open Access Theses & Dissertations

The thesis reviews Dirichlet convolution of arithmetic functions and some generalizations. First, we present the main properties of the Dirichlet convolution on the set of arithmetic functions and some characterizations of prime numbers via arithmetic functions are given. Then we explore the K-convolution and the regular convolutions and finally we extend the study of Dirichlet convolution in categories. We give also an example for the evaluation of the Mobius function of a Mobius category.