Physics Commons^™

Charge, Bonding, And Magneto-Elastic Coupling In Nanomaterials, Qi Sun

Doctoral Dissertations

Phonons are exquisitely sensitive to finite length scale effects in a wide variety of materials because they are intimately connected to charge, structure, and magnetism, and a quantitative analysis of their behavior can reveal microscopic aspects of chemical bonding and spin-phonon coupling. To investigate these effects, we measured infrared vibrational properties of bulk and nanoscale MoS₂ [molybdenum disulfide], MnO [manganese(II) oxide], and CoFe₂O₄ [cobalt iron oxide]. From an analysis of frequencies, oscillator strengths, and high-frequency dielectric constants, we extracted Born and local effective charges, and polarizability for MoS₂ and MnO. For MoS₂ nanoparticles, in …

Confinement Effects Of Solvation On A Molecule Physisorbed On A Metal Particle, Jacob Fosso Tande

Doctoral Dissertations

We describe and present results of the implementation of the surface and volume polarization for electrostatics~(SVPE) and the iso-density surface solvation models. Unlike most other implementation of the solvation models where the solute and the solvent are described with multiple numerical representation, our implementation uses a multiresolution, adaptive multiwavelet basis to describe both solute and the solvent. This requires reformulation to use integral equations throughout as well as a conscious management of numerical properties of the basis.

Likewise, we investigate the effects of solvation on the static properties of a molecule physisorbed on a spherical particle, modeled as a polarizable …

In Situ Measurements Of Electron-Beam-Induced Surface Voltage Of Highly Resistive Materials, Joshua Hodges

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Surface charging and subsequent electrostatic discharge due to interactions with the space environment is one of the primary concerns of spacecraft charging studies. Laboratory measurements of the evolution of surface voltages and dissipation currents under simulated space conditions are the primary method used to determine the response of key spacecraft materials to diverse incident fluxes. Increasing the database of information for the electronic properties of insulating materials can assist spacecraft designers in mitigating the harsh effects of the space environment.

The Utah State Materials Physics Group, with the funding of the NASA James Webb Space Telescope project and personnel support …

Structure And Chemistry Of Model Catalysts In Ultrahigh Vacuum, Joshua D. Walker

Theses and Dissertations

The study of catalysis is a key area of focus not only in the industrial sector but also in the nature and biological systems. The market for catalysis is a multi-billion dollar industry. Many of the materials and products we use on a daily basis are formed through a catalytic process. The quest to understanding and improving catalytic mechanisms is ongoing. Many model catalysts use transition metals as a support for chemical reactions to take place due to their selectivity and activity. Palladium, gold, and copper metals are studied in this work and show the ability to be catalytically reactive. …

Dynamical Reaction Pathways In Eley-Rideal Recombination Of Nitrogen From W(100), Ernesto Quintas-Sánchez, P. Larrégaray, C. Crespos, L. Martin-Gondre, J. Rubayo-Soneira, J. C. Rayez

Chemistry Faculty Research & Creative Works

The scattering of atomic nitrogen over a N-pre-adsorbed W(100) surface is theoretically described in the case of normal incidence off a single adsorbate. Dynamical reaction mechanisms, in particular Eley-Rideal (ER) abstraction, are scrutinized in the 0.1-3.0 eV collision energy range and the influence of temperature on reactivity is considered between 300 and 1500 K. Dynamics simulations suggest that, though non-activated reaction pathways exist, the abstraction process exhibits a significant collision energy threshold (0.5 eV). Such a feature, which has not been reported so far in the literature, is the consequence of a repulsive interaction between the impinging and the pre-adsorbed …

Evaluating Actinide Sorption To Graphite With Regards To Triso Repository Performance, Corey Christopher Keith

UNLV Theses, Dissertations, Professional Papers, and Capstones

Graphite has the potential for inclusion in nuclear waste for disposal in waste repository settings. Implementation of High Temperature Gas-cooled Reactors contributes to this potential through use of TRISO fuel, if direct disposal of the graphite matrix surrounding the fuel is employed. The inclusion of the large mass and volume in the TRISO fuel waste form differs significantly from used light water reactor fuel waste forms, requiring new performance models to describe the behavior in a repository setting. The purpose of this study is to evaluate the potential for the graphite to improve actinide, specifically uranium and neptunium, retardation from …

54th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 54th annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-endorsed by the Colorado Section of the American Chemical Society and the Society for Applied Spectroscopy. Held in Copper Mountain, Colorado, July 15-19, 2012.

A Reduced Model Of Cavitation Physics For Use In Sonochemistry, Brian Storey, Andrew Szeri

Brian Storey

Sonochemistry involves focusing acoustic energy through cavitation bubbles to increase chemical activity. The violent bubble collapses lead to temperatures of several thousand kelvin, which drive chemical reactions. In previous work, we gave a detailed computational model of a single bubble collapse, taking into account phase change, mass diffusion, heat diffusion and chemical reactions. All of these phenomena are important in determining the conditions at collapse. The present work involves development of a much simpler model that includes all the physics relevant to the determination of the reaction products. Comparisons with the more detailed computations are made; the reduced model is …

Water Vapour, Sonoluminescence And Sonochemistry, Brian Storey, Andrew Szeri

Brian Storey

Sonoluminescence is the production of light from acoustically forced bubbles; sonochemistry is a related chemical processing technique. The two phenomena share a sensitive dependence on the liquid phase. The present work is an investigation of the fate and consequences of water vapour in the interior of strongly forced argon micro–bubbles. Due to the extreme nonlinearity of the volume oscillations, excess water vapour is trapped in the bubble during a rapid inertial collapse. Water vapour is prevented from exiting by relatively slow diffusion and non–equilibrium condensation at the bubble wall. By reducing the compression heating of the mixture and through primarily …

Double Layer In Ionic Liquids: Overscreening Versus Crowding, Martin Z. Bazant, Brian D. Storey, Alexei A. Kornyshev

Brian Storey

We develop a simple Landau-Ginzburg-type continuum theory of solvent-free ionic liquids and use it to predict the structure of the electrical double layer. The model captures overscreening from short-range correlations, dominant at small voltages, and steric constraints of finite ion sizes, which prevail at large voltages. Increasing the voltage gradually suppresses overscreening in favor of the crowding of counterions in a condensed inner layer near the electrode. This prediction, the ion profiles, and the capacitance-voltage dependence are consistent with recent computer simulations and experiments on room-temperature ionic liquids, using a correlation length of order the ion size.

Mixture Segregation Within Sonoluminescence Bubbles, Brian D. Storey, Andrew J. Szeri

Brian Storey

This paper concerns a relaxation of the assumption of uniform mixture composition in the interior of sonoluminescence bubbles. Intense temperature and pressure gradients within the bubble drive relative mass diffusion which overwhelms diffusion driven by concentration gradients. This thermal and pressure diffusion results in a robust compositional inhomogeneity in the bubble which lasts several orders of magnitude longer than the temperature peak or light pulse at the main collapse of the bubble. This effect has important consequences for control of sonoluminescence, gas dynamics, sonochemistry, and the physics of light production.

Angular And Dynamical Properties In Resonant Inelastic X-Ray Scattering: Case Study Of Chlorine-Containing Molecules, Renaud Guillemin, Wayne C. Stolte, Loic Journel, Stephane Carniato, Maria Novella Piancastelli, Dennis W. Lindle, Marc Simon

Chemistry and Biochemistry Faculty Research

Polarization-dependent resonant inelastic x-ray scattering (RIXS) has been shown to be a probe of molecular-field effects on the electronic structure of isolated molecules. In this experimental analysis we explain the linear dichroism observed in Cl 2p polarized RIXS following Cl 1s excitation of a series of chlorofluoromethanes (CF3Cl, CF2Cl2, CFCl3, and CCl4) as due to molecular-field effects, including singlet-triplet exchange. We present an approach to extract directly the 2p inner-shell electronic state populations from the experimental measurements. Using the angular properties of the measured KV emission we also are able to determine the value of the polarization anisotropy parameter βp …

Capacitively Coupled Radio-Frequency Discharges In Nitrogen At Low Pressures, L. L Alves, L. Marques, C. D Pintassilgo, W. Wattieaux, Et. Es-Sebbar, J. Berndt, E. Kovačević, N. Carrasco, L. Boufendi, G. Cernogora

Dr. Et-touhami Es-sebbar

This paper uses experiments and modelling to study capacitively coupled radio-frequency (rf) discharges in pure nitrogen, at 13.56 MHz frequency, 0.1–1 mbar pressures and 2–30 W coupled powers. Experiments performed on two similar (not twin) setups, existing in the LATMOS and the GREMI laboratories, include electrical and optical emission spectroscopy (OES) measurements. Electrical measurements give the rf-applied and the direct-current-self-bias voltages, the effective power coupled to the plasma and the average electron density. OES diagnostics measure the intensities of radiative transitions with the nitrogen second-positive and first-negative systems, and with the 811.5 nm atomic line of argon (present as an …

Hrc Enews — 2012 Summer, Megan M. Iudice

Publications (HRC)

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

Dynamical Signature Of The Mott-Hubbard Transition In Ni(S,Se)(2), Yevgeniya Zastavker, Anke Husmann, Deborah Jin, Thomas Rosenbaum, X Yao, J Honig

Yevgeniya V. Zastavker

The transition metal chalcogenide Ni(S,Se)2 is one of the few highly correlated, Mott-Hubbard systems without a strong first-order structural distortion that normally cuts off the critical behavior at the metal-insulator transition. The zero-temperature (T) transition was tuned with pressure, and significant deviations were found near the quantum critical point from the usual T1/2 behavior of the conductivity characteristic of electron-electron interactions in the presence of disorder. The transport data for pressure and temperature below 1 kelvin could be collapsed onto a universal scaling curve.

Ionization Photophysics And Rydberg Spectroscopy Of Diacetylene, M. Schwell, Y. Benilan, N.. Fray, M.-C. Gazeau, Et. Es-Sebbar, F.-G. Levrel, N. Campion, S. Leach

Dr. Et-touhami Es-sebbar

Photoionization of diacetylene was studied using synchrotron radiation over the range 8–24 eV, with photoelectron-photoion coincidence (PEPICO) and threshold photoelectron–photoion coincidence (TPEPICO) techniques. Mass spectra, ion yields, total and partial ionization cross-sections were measured. The adiabatic ionization energy of diacetylene was determined as IEad = (10.17 ± 0.01) eV, and the appearance energy of the principal fragment ion C4H+ as AE = (16.15 ± 0.03) eV. Calculated appearance energies of other fragment ions were used to infer aspects of dissociation pathways forming the weaker fragment ions , C3H+, and C2H+. Structured autoionization features observed in the PEPICO spectrum of diacetylene …

Nanoenergetic Composite Based On I2o5/Al For Biological Agent Defeat, Mkhitar Hobosyan, Alexander V. Kazanksy, Karen S. Martirosyan

Physics and Astronomy Faculty Publications and Presentations

The risk of bioterrorism events involving the intentional airborne release of contagious agents has led to development of new approaches for bio agent defeat technologies both indoors and outdoors. This report describes nanoenergetic gas generators (NGG) system that exhibit long term stability and superior release of biocidal substances for destruction of pathogenic bacteria. The effect of iodine vaporization on destroying of Escherichia coli (E-coli, HB101 K-12 strain) by using expressing Green Fluorescent Protein (GFP) was investigated. HB101 K-12 has been genetically modified to prevent its growth unless grown on an enriched medium. To obtain quantitative data we used pGLO transformation …

Electrohydrodynamic Enhancement Of Heat Transfer And Mass Transport In Gaseous Media, Bulk Dielectric Liquids And Dielectric Thin Liquid Films, Seyed Reza Mahmoudi

Electronic Thesis and Dissertation Repository

Controlling transport phenomena in liquid and gaseous media through electrostatic forces has brought new important scientific and industrial applications. Although numerous EHD applications have been explored and extensively studied so far, the fast-growing technologies, mainly in the semiconductor industry, introduce new challenges and demands. These challenges require enhancement of heat transfer and mass transport in small scales (sometimes in molecular scales) to remove highly concentrated heat fluxes from reduced size devices. Electric field induced flows, or electrohydrodynamics (EHD), have shown promise in both macro and micro-scale devices.

Several existing problems in EHD heat transfer enhancements were investigated in this thesis. …

Atomistic Simulations Of The Fusion-Plasma Material Interface, Mostafa Jon Dadras

Doctoral Dissertations

A key issue for the successful performance of current and future fusion reactors is understanding chemical and physical processes at the Plasma Material Interface (PMI). The material surfaces may be bombarded by plasma particles in a range of impact energies (1 eV - a few keV) and kept at a range of temperatures (300 - 1000 K). The dominant processes at the PMI are reflection and retention of impacting particles and sputtering (chemical and physical). Sputtering leads to surface erosion and pollution of the plasma, both of which degrade reactor performance. Retention influences the recycling of the plasma, and in …

Challenging Disciplinary Boundaries In The First Year: A New Introductory Integrated Science Course For Stem Majors, Lisa Gentile, Lester Caudill, Mirela Fetea, April L. Hill, Kathy Hoke, Barry Lawson, Ovidiu Z. Lipan, Michael Kerckhove, Carol A. Parish, Krista J. Stenger, Doug Szajda

Department of Math & Statistics Faculty Publications

To help undergraduates make connections among disciplines so they are able to approach, evaluate, and contribute to the solutions of important global problems, our campus has been focused on interdisciplinary research and education opportunities across the science, technology, engineering, and mathematics (STEM) disciplines. This paper describes the mobilization, planning, and implementation of a first-year interdisciplinary course for STEM majors that integrates key concepts found in traditional first-semester biology, chemistry, computer science, mathematics, and physics courses. This team-taught course, Integrated Quantitative Science (IQS), is half of a first-year student’s schedule in both semesters and is composed of a double lecture and …

Challenging Disciplinary Boundaries In The First Year: A New Introductory Integrated Science Course For Stem Majors, Lisa Gentile, Lester Caudill, Mirela Fetea, April L. Hill, Kathy Hoke, Barry Lawson, Ovidiu Z. Lipan, Michael Kerckhove, Carol A. Parish, Krista J. Stenger, Doug Szajda

Biology Faculty Publications

To help undergraduates make connections among disciplines so they are able to approach, evaluate, and contribute to the solutions of important global problems, our campus has been focused on interdisciplinary research and education opportunities across the science, technology, engineering, and mathematics (STEM) disciplines. This paper describes the mobilization, planning, and implementation of a first-year interdisciplinary course for STEM majors that integrates key concepts found in traditional first-semester biology, chemistry, computer science, mathematics, and physics courses. This team-taught course, Integrated Quantitative Science (IQS), is half of a first-year student’s schedule in both semesters and is composed of a double lecture and …

Stiefel And Grassmann Manifolds In Quantum Chemistry, Eduardo Chiumiento, Michael Melgaard

Articles

We establish geometric properties of Stiefel and Grassmann manifolds which arise in relation to Slatertype variational spaces in many-particle Hartree-Fock theory and beyond. In particular, we prove thatthey are analytic homogeneous spaces and submanifolds of the space of bounded operators on the single-particle Hilbert space. As a by-product we obtain that they are complete Finsler manifolds. These geometric properties underpin state-of-the-art results on existence of solutions to Hartree-Fock type equations.

Hrc Enews — 2012 Spring, Megan M. Iudice

Publications (HRC)

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

Laser Processing Of Metals And Polymers, Senthilraja Singaravelu

Physics Theses & Dissertations

A laser offers a unique set of opportunities for precise delivery of high quality coherent energy. This energy can be tailored to alter the properties of material allowing a very flexible adjustment of the interaction that can lead to melting, vaporization, or just surface modification. Nowadays laser systems can be found in nearly all branches of research and industry for numerous applications. Sufficient evidence exists in the literature to suggest that further advancements in the field of laser material processing will rely significantly on the development of new process schemes. As a result they can be applied in various applications …

Remote Sensing Phase Fluorimetry Using Mercury Vapor Lamp, Matthew J. Bohn, Michael A. Lundin

AFIT Patents

An efficient and portable method for remote detection of a target mineral material through frequency domain fluorimetry, a detection technique that measures the time lag between absorption and emission of photons, thereby determining the lifetime of said target mineral material. As claimed and disclosed in the present invention, mercury vapor lamps, a common source of industrial facility lighting, emit radiation that overlaps the UV/blue absorption spectrum of many fluorophores and may be used as an efficient and portable excitation source for remote frequency domain fluorimetry.

Volatile Products Controlling Titan’S Tholins Production, N. Carrasco, T. Gautier, Et. Es-Sebbar, P. Pernot, G. Cernogora

Dr. Et-touhami Es-sebbar

A quantitative agreement between nitrile relative abundances and Titan’s atmospheric composition was recently shown with a reactor simulating the global chemistry occurring in Titan’s atmosphere [Gautier et al. (2011) Icarus, 213: 625]. Here we present a complementary study on the same reactor using an in-situ diagnostic of the gas phase composition. Various initial N2-CH4 gas mixtures (methane varying from 1 to 10%) are studied, with a monitoring of the methane consumption and of the stable gas neutrals by in-situ mass spectrometry. Atomic hydrogen is also measured by optical emission spectroscopy. A positive correlation is found between atomic hydrogen abundance and …

K-Shell X-Ray Spectroscopy Of Atomic Nitrogen, M. M. Sant'anna, Gunnar Ohrwall, Wayne C. Stolte, Alfred S. Schlachter, Dennis W. Lindle, B. M. Mclaughlin

Chemistry and Biochemistry Faculty Research

Absolute K-shell photoionization cross sections for atomic nitrogen have been obtained from both experiment and state-of-the-art theoretical techniques. Because of the difficulty of creating a target of neutral atomic nitrogen, no high-resolution K-edge spectroscopy measurements have been reported for this important atom. Interplay between theory and experiment enabled identification and characterization of the strong 1s → np resonance features throughout the threshold region. An experimental value of 409.64 ± 0.02 eV was determined for the K-shell binding energy.

Global Variations Of Hdo And Hdo/H2o Ratios In The Upper Troposphere And Lower Stratosphere Derived From Ace-Fts Satellite Measurements, William J. Randel, Elisabeth Moyer, Mijeong Park, Eric Jensen, Peter Bernath

Chemistry & Biochemistry Faculty Publications

High-quality satellite observations of water and deuterated water in the upper troposphere and lower stratosphere (UTLS) from the Atmospheric Chemistry Experiment Fourier transform spectrometer (ACE-FTS) are used to map global climatological behavior. Spatial and temporal variability in these data suggest that convection plays a significant role in setting water vapor isotopic composition in these regions. In many instances, enhancements in HDO/H₂O (i.e., δD) are closely tied to patterns of climatological deep convection and uncorrelated with water vapor, although convection appears to have different isotopic effects in different locations. The ACE-FTS data reveal seasonal variations in the tropics …

National Center For Nuclear Security, Veraun Chipman, Amanda Klingensmith, Cathy Snelson

NSTec UNLV Symposium

National Center for Nuclear Security (NCNS) Mission

•Chartered mission is to enhance the Nation’s verification and detection capabilities in support of nuclear arms control and nonproliferation through R&D activities at the NNSS
•Three focus areas
–Treaty Verification Technologies
–Nonproliferation Technologies
–Technical Nuclear Forensics

Properties Of Cu(In,Ga) Se2 Thin Films And Solar Cells Deposited By Hybrid Process, S. Marsillac, H. Khatri, K. Aryal, R. W. Collins

Electrical & Computer Engineering Faculty Publications

Cu(In,Ga)Se-2 solar cells were fabricated using a hybrid cosputtering/evaporation process, and efficiencies as high as 12.4% were achieved. The films were characterized by energy-dispersive X-ray spectroscopy, glancing incidence X-ray diffraction, scanning electron microscopy, auger electron spectroscopy, and transmittance and reflectance spectroscopy, and their properties were compared to the ones of films deposited by coevaporation. Even though the films were relatively similar, the ones deposited by the hybrid process tend to have smaller grains with a slightly preferred orientation along the (112) axis and a rougher surface. Both types of films have uniform composition through the depth. Characterization of these films …