Engineering Commons^™

An Approach For Material Model Identification Of A Composite Coating Using Micro-Indentation And Multi-Scale Simulations, Pouya Shojaei, Riccardo Scazzosi, Mohamed Trabia, Brendan O’Toole, Marco Giglio, Xing Zhang, Yiliang Liao, Andrea Manes

Mechanical Engineering Faculty Research

While deposited thin film coatings can help enhance surface characteristics such as hardness and friction, their effective incorporation in product design is restricted by the limited understand-ing of their mechanical behavior. To address this, an approach combining micro-indentation and meso/micro-scale simulations was proposed. In this approach, micro-indentation testing was conducted on both the coating and the substrate. A meso-scale uniaxial compression finite element model was developed to obtain a material model of the coating. This material model was incorporated within an axisymmetric micro-scale model of the coating to simulate the indentation. The proposed approach was applied to a Ti/SiC metal …

Effect Of Heat Treatment On Microstructure And Hardness Of A Worn Rail Repaired Using Laser Powder Deposition, Ershad Mortazavian, Zhiyong Wang, Hualiang Teng

Mechanical Engineering Faculty Research

The frequent replacement of worn rails on tracks brings an immense economic burden on the railroad industry, and also causes significant interruptions to railroad operation. Restoration of worn rails via laser powder deposition (LPD) can considerably reduce the associated maintenance costs. This study was focused on the use of LPD to repair the worn profile of a standard U.S. rail. The microstructure of the 304L stainless steel deposits with a minimum hardness of 85 HRB was composed of austenite, δ-ferrite, and sigma. Micropores were dispersed throughout the deposit, and microcracks were found at the rail-deposition interface. The pearlitic rail substrate …

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 …

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 …

Modifications Of The Cztse/Mo Back-Contact Interface By Plasma Treatments, Wenjin Chen, Teoman Taskesen, David Nowak, Ulf Mikolajczak, Mohamed H. Sayed, Devendra Pareek, Jorg Ohland, Thomas Schnabel, Erik Ahlswede, Dirk Hauschild, Lothar Weinhardt, Clemens Heske, Jurgen Parisi, Levent Gutay

Chemistry and Biochemistry Faculty Research

Molybdenum (Mo) is the most commonly used back-contact material for copper zinc tin selenide (CZTSe)-based thin-film solar cells. For most fabrication methods, an interfacial molybdenum diselenide (MoSe2) layer with an uncontrolled thickness is formed, ranging from a few tens of nm up to ≈1 μm. In order to improve the control of the back-contact interface in CZTSe solar cells, the formation of a MoSe2 layer with a homogeneous and defined thickness is necessary. In this study, we use plasma treatments on the as-grown Mo surface prior to the CZTSe absorber formation, which consists of the deposition of stacked metallic layers …

Non-Einstein Viscosity Phenomenon Of Acrylonitrile–Butadiene–Styrene Composites Containing Lignin–Polycaprolactone Particulates Highly Dispersed By High-Shear Stress, Sing-Hoon Kim, Kisuk Choi, Kyouk Ryeol Choi, Taesung Kim, Jonghwan Suhr, Kwang Jin Kim, Hyoung Jin Choi, Jae-Do Nam

Mechanical Engineering Faculty Research

Lignin powder was modified via ring-opening polymerization of caprolactone to form a lignin–polycaprolactone (LPCL) particulate. The LPCL particulates were mixed with an acrylonitrile–butadiene–styrene (ABS) matrix at an extremely high rotational speed of up to 3000 rpm, which was achieved by a closed-loop screw mixer and in-line melt extruder. Using this high-shear extruding mixer, the LPCL particulate size was controlled in the range of 3395 nm (conventional twin-screw extrusion) down to 638 nm (high-shear mixer of 3000 rpm) by altering the mixing speed and time. The resulting LPCL/ABS composites clearly showed non-Einstein viscosity phenomena, exhibiting reduced viscosity (2130 Pa·s) compared to …

Optimization Of Useful Hard X-Ray Photochemistry, David Lewis Goldberger

UNLV Theses, Dissertations, Professional Papers, and Capstones

X-ray induced damage is generally considered a nuisance, but in the field of Useful Hard X-ray Photochemistry we harness the highly ionizing and penetrating properties of hard X-rays (> 7 keV) to initiate novel photochemical decomposition and synthesis at ambient and extreme conditions. Preliminary experiments suggest that the energy of irradiating photons and the sample pressure play roles in determining the nature of X-ray induced damage. Here, we present the X-ray energy dependence of damage induced in strontium oxalate, strontium nitrate, and barium nitrate, as well as the pressure dependence of X-ray induced damage of strontium oxalate. Our results indicate …

Controlled Electrochemical Reduction Of Gold And Palladium Metal Precursors In Polyaniline, Nicole Goodwin

UNLV Theses, Dissertations, Professional Papers, and Capstones

Polyaniline (PANI) has been extensively studied due to its unique electrochemical properties. The conjugated polymer is conductive with high chemical stability below 100°C, mechanical strength, and large surface area. The applications of PANI have included chemical sensing, corrosion inhibition coatings, light emitting diode and as a substrate for metal composite catalysts. Both chemical and electrochemical methods have been developed and utilized in the synthesis of PANI/metal composites. The simultaneous reduction of aniline and metal precursor produces a composite of PANI encapsulated metal, reducing the active surface area available for catalysis. Alternatively, chemical reduction of the metal precursor into preformed PANI …

Surface And Interface Characterization Of Solution-Processed Metal Oxides And Pedot:Pss Using Photoelectron Spectroscopy, Lynette M. Kogler

UNLV Theses, Dissertations, Professional Papers, and Capstones

Solution-processed materials are appealing for use in printable electronics as a means to lower production costs, but precise control of the process is crucial for achieving the desired properties in the final materials and their interfaces. Electronic interface properties depend on both the involved materials and their fabrication processes, impacting the development and commercialization of these materials. Analyzing the chemical and electronic structure of these materials, particularly at the surfaces and interfaces, is important not only for insuring that the materials have the desired properties, but also for understanding the effects of the fabrication process and how to modify properties …

Forcing Cesium Into Higher Oxidation States Via Useful Hard X-Ray Induced Chemistry At Extreme Conditions, Daniel Thomas Sneed

UNLV Theses, Dissertations, Professional Papers, and Capstones

Recent theoretical work published in Nature Chemistry postulates the existence of cesium in high oxidation states when bonding with fluorine. It is thus predicted to behave as a p-block element (such as xenon) at pressures above 5 GPa. At these pressures, fluorine atoms may bond with the inner p-shell electrons forming CsFn, where n may vary from 2 up to 6; thus the oxidation state of Cs may change up to 6+. My research focused on physically synthesizing these compounds and to verify that, given the right conditions, bonding doesn't only occur with valence electrons, but with the inner p-shell …

Ionic Polymer-Metal Composite Actuators Based On Nafion Blends With Functional Polymers, Jungsoo Nam

UNLV Theses, Dissertations, Professional Papers, and Capstones

Ionic polymer metal composites (IPMCs) have been an attractive research subject for use in underwater robotic applications, biomedical and biomimetic application owing to their great potential as actuators, artificial muscles, and more. IPMC is synthetic composite nanomaterial of ion exchange membranes and metal electrode. Although both components are important, the properties of ion exchange membranes should be emphasized since it is responsible of the path for the mobile ions to migrate when voltage is applied to exhibit deformation. Most of the researches that have been done on IPMCs used commercially available Nafion as their ion exchange membranes. However, its high …

Chemical And Electronic Structure Of Surfaces And Interfaces In Cadmium Telluride Based Photovoltaic Devices, Douglas Arthur Duncan

UNLV Theses, Dissertations, Professional Papers, and Capstones

The surface and interface properties are of the upmost importance in the understanding, optimization, and application for photovoltaic devices. Often the chemical, electronic, and morphological properties of the films are empirically optimized, however when progress slows, a fundamental understanding of these properties can lead to breakthroughs. In this work, surfaces and interfaces of solar cell-relevant films are probed with a repertoire of X-ray analytical and microanalysis techniques including X-ray photoelectron (XPS), X-ray excited Auger electron (XAES), X-ray emission (XES) spectroscopies, and atomic force (AFM) and scanning electron (SEM) microscopies.

Silicon-based devices currently dominate the solar market, which is rather inflexible …

Spectroscopic Investigation Of The Chemical And Electronic Properties Of Chalcogenide Materials For Thin-Film Optoelectronic Devices, Kimberly Horsley

UNLV Theses, Dissertations, Professional Papers, and Capstones

Chalcogen-based materials are at the forefront of technologies for sustainable energy production. This progress has come only from decades of research, and further investigation is needed to continue improvement of these materials.

For this dissertation, a number of chalcogenide systems were studied, which have applications in optoelectronic devices, such as LEDs and Photovoltaics. The systems studied include Cu(In,Ga)Se2 (CIGSe) and CuInSe2 (CISe) thin-film absorbers, CdTe-based photovoltaic structures, and CdTe-ZnO nanocomposite materials. For each project, a sample set was prepared through collaboration with outside institutions, and a suite of spectroscopy techniques was employed to answer specific questions about the system. These …

Assessing Different Zeolitic Adsorbents For Their Potential Use In Kr And Xe Separation, Breetha Alagappan

UNLV Theses, Dissertations, Professional Papers, and Capstones

Separation of Kr from Xe is an important problem in spent nuclear fuel fission gas management. The energy intensive and expensive cryogenic distillation method is currently used to separate these gases. In this thesis, we have carried out the research into appropriate sorbents for the separation of Kr and Xe using pressure swing adsorption. We have examined zeolites using gas adsorption studies as they have the potential to be more cost effective than other sorbents. Zeolites are microporous aluminosilicates and have ordered pore structures. The pores in zeolites have extra-framework cations are substantially free to move. The mobility of cations …

Strategic Electronic Property Control Of Self-Assembling Pyrazine-Acenes, Lacie Brownell

UNLV Theses, Dissertations, Professional Papers, and Capstones

Control of electronic properties in organic semiconductor materials is essential for electro-optical applications such as field-effect transistors, light-emitting diodes, and photovoltaic devices. This work is focused on two systems that highlight different approaches for the manipulation of electronic properties: (I) the development of electron-deficient (n-type) materials by selective lowering of E_LUMO and (II) low energy gap materials by controlling both E_LUMO and E_HOMO

To specifically lower E_LUMO, a pyrazine-acene π-platform was extended using electron-withdrawing moieties. These include: pyridine, pyrazine, and benzothiadiazole (system I). From the base pyrazine-acene, the most significant change in E_LUMO of …

Synthesis And Characterizations Of Pyridinium Salts Including Poly(Pyridinium Salt)S And Their Applications, Tae Soo Jo

UNLV Theses, Dissertations, Professional Papers, and Capstones

Pyridinium salts, both molecular and polymeric, are an interesting class of multifunctional materials that exhibit liquid-crystalline and light-emitting properties. Moreover, their properties can be easily tuned by introducing new types of anions or by modifying their chemical structures. This dissertation describes synthesis and characterization of poly(pyridinium salt)s containing macrocounterions and fluorene moieties in their backbones, synthesis and characterization of nanocomposites of poly(pyridinium salt)s with single-walled carbon nanotubes via non-covalent interactions, and synthesis and characterizations of pyridinium salts having different aliphatic linkages and their application in organic acid sensing.

First, all of these ionic polymers were prepared by either ring-transmutation or …

Spectroscopic Methods Of Process Monitoring For Safeguards Of Used Nuclear Fuel Separations, Jamie Lee Warburton

UNLV Theses, Dissertations, Professional Papers, and Capstones

To support the demonstration of a more proliferation-resistant nuclear fuel processing plant, techniques and instrumentation to allow the real-time, online determination of special nuclear material concentrations in-process must be developed. An ideal materials accountability technique for proliferation resistance should provide nondestructive, realtime, on-line information of metal and ligand concentrations in separations streams without perturbing the process. UV-Visible spectroscopy can be adapted for this precise purpose in solvent extraction-based separations.

The primary goal of this project is to understand fundamental URanium EXtraction (UREX) and Plutonium-URanium EXtraction (PUREX) reprocessing chemistry and corresponding UV-Visible spectroscopy for application in process monitoring for safeguards. By …

Direct Contact Pyrolysis Of Hydrocarbons: A Source Of Hydrogen And Interesting Carbon Formations, Peter G. Faught

UNLV Theses, Dissertations, Professional Papers, and Capstones

The work detailed in this document looks at a novel liquid metal supported catalytic system for the generation of hydrogen by decomposition of ethanol through direct contact pyrolysis. The hydrogen is produced at relatively low temperatures (500-600°C) and has carbon and water as co-products. It should be noted that CO is not observed as a product at these low temperatures. This is to be contrasted with the hydrogen produced at higher temperature from ethanol which does contain carbon monoxide. The presence of carbon monoxide in hydrogen complicates fuel cell operation and catalytic chemical processes. Thus, the lack of CO in …

Undergraduate Research Opportunities Program 2011, Nicholle Booker, University Of Nevada, Las Vegas

Undergraduate Research Opportunities Program (UROP)

Undergraduate Research Opportunities Program

On August 9, 2011 the UNLV College of Sciences will celebrate the accomplishments of undergraduate students participating in the Summer 2011 Undergraduate Research Opportunities Program (UROP) and the Research Experience For Undergraduates (REU) Program.

The public is invited to attend, beginning at 10:00 a.m.

Please join us to view student research posters. Student research topics include: biomedicine and human health, Nevada's fragile environment and ecosystems, climate change, stem cell research, microbiology, astrophysics, and many others.

Over 25 UNLV undergraduates and a cohort of 25 undergraduates selected from colleges and universities across the nation will mark the …

Unlv Stars Unabridged Report, University Of Nevada, Las Vegas

Reports (USI)

University of Nevada, Las Vegas, by earning a 2011 Silver Rating in the Sustainability Tracking, Assessment & Ratings System (STARS), is ahead of the curve among public universities – and improving.

STARS is a voluntary, self–reporting framework developed by the Association for the Advancement of Sustainability in Higher Education (AASHE) to help measure sustainability performance over time and among colleges and universities nationwide. The UNLV Sustainability Council oversaw STARS, which by measuring sustainability can help UNLV to reduce energy consumption and waste, improve education, attract research, and generate jobs.

A rating of Silver puts UNLV in great company – with …

Computational Study Of Passive Neutron Albedo Reactivity (Pnar) Measurement With Fission Chambers, Sandra De La Cruz

UNLV Theses, Dissertations, Professional Papers, and Capstones

The Passive Neutron Albedo Reactivity technique (PNAR) was used to assay used nuclear fuel as a potential method for the measurement of fissionable material in fuel assemblies. A Monte Carlo transport code (MCNPX 2.6) was used to develop simulation models to evaluate the PNAR technique. The MCNPX simulated models consisted of two 17x17 Pressurized Water Reactor (PWR) used fuel assemblies; one with an initial 3 wt% uranium-235*, cooled for 20 years and second with an initial 4 wt% uranium-235*, cooled for 5 years. Each used fuel assembly was simulated at four different burn up rates of 15, 30, 45, and …

Self-Assembling Organic Semiconductors With Tunable Electronic Properties Based On Novel Asymmetric Phenazine And Bisphenazine, Kyoungmi Jang

UNLV Theses, Dissertations, Professional Papers, and Capstones

Current demands in the area of organic semiconductors focus on both electronic and self-assembling properties. Particularly, one-dimensionally grown nanostructures of small organic semiconductors have drawn much attention for nanodevice fabrication. Self-assembly through various intermolecular interactions has been widely used to produce one-dimensionally grown nanostructures which can be induced by various methods such as rapid solution dispersion, a phase transfer method, vapor annealing, crystallization, and organogelation in conjunction with proper molecular design. Controlling the morphology of the nanostructures plays an important role in achieving desirable properties in optoelectronic device applications. While significant advancements have been made in developing molecular architectures for …

Structure Studies On Lanthanide Technetium Pyrochlores As Prospective Host Phases To Immobilize 99- Technetium And Fission Lanthanides From Effluents Of Reprocessed Used Nuclear Fuels, Thomas Hartmann, Ariana Alaniz

Festival of Communities: UG Symposium (Posters)

We performed a systematic investigation of the incorporation of 99Tc into pyrochlore oxide structures, Ln2Tc2O7, where Ln represents trivalent lanthanide Ln3+ cations, while 99Tc is atetravalent, Tc4+, metal cation. Pyrochlore compounds are high-melting temperature oxides and are recognized for their durability. Our goal in this preliminary study is to characterize and quantify the range of stability of the lanthanum technetium pyrochlore oxide phase. Hereby, powder X-ray diffraction (XRD) and Rietveld analysis were used to determine and characterize the crystalline phase content with high accuracy, and scanning electron microscopy (SEM) was used to characterize the microstructure and homogeneity of the synthesized …

Predicting Homo And Lumo Energy Gaps For Organic Semi-Conductor: A Theoretical Study, Padtaya Pukpayat

Festival of Communities: UG Symposium (Posters)

This poster presents a theoretical approach for characterizing the electronic properties of novel electron-deficient organic semiconductors containing variety of electron donor substituents. In treating these compounds, the following questions will be addressed: What effects to the bandgap will each substituent have? Will any of the substituents lower the band gap to the desired range for solar cell applications(<2.0eV)? Can we use the current, inexpensive and tractable computational methods as a predictive tool for guiding future experimental design of organic based solar cells, rather than depending solely on experimental procedures?

Diffuse-Charge Dynamics Of Ionic Liquids In Electrochemical Systems, Hui Zhao

Mechanical Engineering Faculty Research

We employ a continuum theory of solvent-free ionic liquids accounting for both short-range electrostatic correlations and steric effects (finite ion size) [Bazant et al., Phys. Rev. Lett. 106, 046102 (2011)] to study the response of a model microelectrochemical cell to a step voltage. The model problem consists of a 1-1 symmetric ionic liquid between two parallel blocking electrodes, neglecting any transverse transport phenomena. Matched asymptotic expansions in the limit of thin double layers are applied to analyze the resulting one-dimensional equations and study the overall charge-time relation in the weakly nonlinear regime. One important conclusion is that our …

Chemical And Electronic Structure Of Surfaces And Interfaces In Compound Semiconductors, Sujitra Pookpanratana

UNLV Theses, Dissertations, Professional Papers, and Capstones

The interface formation between two different materials is important in applications for optoelectronic devices. Often, the success or performance of these devices is dependent on the formation of these heterojunctions. In this work, the surface and interfaces in such materials for optoelectronic devices are investigated by a suite of X-ray analytical techniques including X-ray photoelectron (XPS), X-ray excited Auger electron (XAES), and X-ray emission (XES) spectroscopies to provide novel insight.

For the group III-nitrides (e.g., AlxGa1-xN) used in many light emitting devices, a significant challenge exists to form an Ohmic contact. The electron affinities and band gaps of GaN and …

Hrc Enews — 2010 Fall, Megan K. Svarz

Publications (HRC)

This issue contains staff accomplishments and announcements, event listings, and a "new faces" listing for new staff, affiliates, and researchers.

Hrc Enews — 2010 Summer, Megan K. Svarz

Publications (HRC)

This issue contains staff accomplishments and announcements, event listings, and a "new faces" listing for new staff, affiliates, and researchers.

Hrc Enews — 2010 Spring, Megan K. Svarz

Publications (HRC)

This issue contains staff accomplishments and announcements, event listings, a "new faces" listing for new staff, affiliates, and researchers, and an "of interest" section.

Hrc Enews — 2010 Winter, Megan K. Svarz

Publications (HRC)

This issue contains staff accomplishments and announcements, event listings, a "new faces" listing for new staff, affiliates, and researchers, and an "on the move" section listing new developments.