Chemistry Commons^™

Multivalued Logic, Neutrosophy And Schrodinger Equation, Florentin Smarandache, Victor Christianto

Branch Mathematics and Statistics Faculty and Staff Publications

This book was intended to discuss some paradoxes in Quantum Mechanics from the viewpoint of Multi-Valued-logic pioneered by Lukasiewicz, and a recent concept Neutrosophic Logic. Essentially, this new concept offers new insights on the idea of ‘identity’, which too often it has been accepted as given. Neutrosophy itself was developed in attempt to generalize Fuzzy-Logic introduced by L. Zadeh. While some aspects of theoretical foundations of logic are discussed, this book is not intended solely for pure mathematicians, but instead for physicists in the hope that some of ideas presented herein will be found useful. The book is motivated by …

Semiconductor Nanowire Laser And Nanowire Waveguide Electro-Optic Modulators, Andrew B. Greytak, Carl J. Barrelet, Yat Li, Charles M. Lieber

Faculty Publications

Electric field modulation of visible and ultraviolet nanoscale lasers consisting of single CdS or GaN nanowires has been achieved using integrated, microfabricated electrodes. Modulation of laser emission intensity is achieved with no detectable change in the laser wavelength. The devices can also be operated below the lasing threshold to modulate the intensity of light propagating within the nanowire waveguide. Studies of the electric field dependence in devices of varied geometry indicate that modulation is due to an electroabsorption mechanism. These findings expand opportunities for multicolor, nanowire-based photonic devices and circuits.

Afci Quarterly Input – Unlv July 1 Through September 30, 2005, Harry Reid Center For Environmental Studies. Nuclear Science And Technology Division

Transmutation Research Program Reports (TRP)

Quarterly report highlighting research projects, activities and objectives of the Transmutation Research Program at the Nuclear Science & Technology Division, Harry Reid Research Center.The University of Nevada, Las Vegas supports the AFCI through research and development of technologies for economic and environmentally sound refinement of spent nuclear fuel. The UNLV program has four components: infrastructure, international collaboration, student-based research, and management and program support.

Pm Emission From A Commercial Jet Engine -- Project Apex, Donald E. Hagen, Philip D. Whitefield, Prem Lobo, Max B. Trueblood

Physics Faculty Research & Creative Works

Project APEX (Aircraft Particle Emissions eXperiment) was a multi-agency commercial aircraft emission characterization and technology demonstration experiment. Its objective was to characterize particle and trace gas precursor species in the emissions from a NASA DC-8 aircraft with General Electric CFM56-2C1 engines at the engine exit plane as well as selected down stream locations. This was to advance the understanding of particle emissions and their evolution in the atmosphere from a current in-service turbofan engine. The test was conducted at the NASA Dryden Flight Research Center at Edwards Air Force Base California during April 15-30, 2004. Participants included the National Aeronautics …

47th Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 47th annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-endorsed by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Denver, Colorado, July 31 - August 4, 2005.

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Neutronic Evaluation Of Zro2-Mgo Inert Fuels, E. Shwageraus, A. Galperin, E. Fridman, S. Kolesnikov

Fuels Campaign (TRP)

This report presents results of the analysis performed within the framework of “Dissolution, Reactor, and Environmental Behavior of ZrO₂-MgO Inert Fuel Matrix” project managed by University of Nevada at Las Vegas, Harry Reid Center for Environmental Studies. The main objective of the study was to explore the basic neutronic feasibility of using MgO-ZrO₂ as inert fuel matrix for Pu recycling in conventional Light Water Reactors (LWR).

Afci Quarterly Input – Unlv April Through June, 2005, Harry Reid Center For Environmental Studies. Nuclear Science And Technology Division

Transmutation Research Program Reports (TRP)

Quarterly report highlighting research projects, activities and objectives of the Transmutation Research Program at the Nuclear Science & Technology Division, Harry Reid Research Center.

The University of Nevada, Las Vegas supports the AFCI through research and development of technologies for economic and environmentally sound refinement of spent nuclear fuel. The UNLV program has four components: infrastructure, international collaboration, student-based research, and management and program support.

Preparation, Structural Characterization, And Dynamic Properties Investigation Of Permalloy Antidot Arrays, Andriy Vovk, Leszek M. Malkinski, Scott L. Whittenburg, Charles O'Connor, Jin-Seung Jung, Suk-Hong Min

Chemistry and Biochemistry Faculty Publications

Regular nanosized structures are considered to be promising materials for magnetic information storage media with high density of information. Recently attention was paid to static and dynamic magnetic properties arising from dimensional confinement in such nanostructures. Here we present an investigation of permalloy antidot arrays of different thicknesses. Thin permalloyfilms of thickness ranging from were deposited on nanoporous membranes with a pore size of . It was found that additional ferromagnetic resonance peaks appear for film thicknesses below , while films with larger thicknesses show resonanceproperties similar to continuous films. A comparison between the filmsdeposited onto Si wafers and porous …

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Neutronic Evaluation Of Zro2-Mgo Inert Fuels, E. Fridman, S. Kolesnikov, E. Shwageraus, A. Galperin

Fuels Campaign (TRP)

This report presents the results of the Task 4, defined in working program as: evaluation of reactivity feedback coefficients. Three main parameters of the Fertile-Free Fuel (FFF) lattices were evaluated: Moderator Temperature Coefficient (MTC), Fuel Temperature Coefficient due to Doppler Effect (DC), and soluble Boron reactivity worth (BW).

One of the major design challenges associated with utilization of FFF is deterioration of the temperature coefficients and control materials reactivity worth caused by high thermal cross-section of Pu and consequent hardening of the neutron spectrum. The purpose of the investigation reported in this section is to estimate the potential of addition …

Size-Driven Domain Reorientation In Hydrothermally Derived Lead Titanate Nanoparticles, Zhiyuan Ye, Elliot B. Slamovich, Alexander H. King

Alexander H. King

High-resolution transmission electron microscopy studies of hydrothermally derived platelike lead titanate nanoparticles reveal that below a critical size of approximately 70 nm, the single ferroelectric domain polarization axis reorients from perpendicular to parallel to the plate. We suggest that during particle growth, ions in the hydrothermal processing medium compensate for the ferroelectric depolarization energy. When the processing medium is removed by washing and drying, single domain nanoparticles minimize their depolarization energy by c-axis flipping.

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Quarterly Report, January 2005 To March 2005, Earl Wolfram, Thomas Hartmann, Kenneth Czerwinski

Fuels Campaign (TRP)

This project will examine inert matrix fuels containing ZrO₂ and MgO as the inert matrix, with the relative amount of MgO varied from 30% to 70% in ZrO₂. Reactor physics calculations will be used to examine suitable quantities of burnable poisons from the candidate elements Gd, Er, or Hf with reactor grade Pu providing the fissile component, with up to 10% of ²³⁹Pu. Ceramics will be synthesized and characterized based on the reactor physics results. The solubility the fuel ceramics, in reactor conditions, reprocessing conditions, and repository conditions, will be investigated in a manner to provide …

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix: Neutronic Evaluation Of Zro2-Mgo Inert Fuels, E. Fridman, S. Kolesnikov, E. Shwageraus, A. Galperin

Fuels Campaign (TRP)

This report presents the results of the Task 3, defined in working program as: evaluation of burnable poison designs. Adopting the basic design of a standard PWR and Pu loadings required for 18-month cycle (results of Task 2), this part of the program is aimed to estimate performance of each BP design and BP material to address challenges of Fertile-Free Fuel (FFF) Concept. Finally, an optimal BP design will be developed and an overall feasibility of FFF concept will be determined. Basically, the main challenge encountered in neutronic design for a FFF core is to develop reactivity control system which …

Nonlinear Dynamics Of Piezoelectric High Displacement Actuators In Cantilever Mode, Timothy Usher, Alec Sim

Physics Faculty Publications

Experimental results of the nonlinear dynamic response of a piezoelectric high displacement actuator known as thin-layer composite unimorph ferroelectric driver and sensor were compared to a theoretical model, which utilizes the multiple scales method to connect the effective spring constant to higher-order stiffness constants c4 of the piezoelectric layer. This type of actuator has prestress gradients resulting from the manufacturing process that have been reported to play an important role in enhanced actuation. A value of c₄=−4.7x10²⁰ N/m² was obtained for the higher-order lead zirconate titanate (PZT) stiffness coefficient, which is higher than other published results …

Mechanism Of Structural Transformation In Bismuth Titanate, Sudhanshu Mallick, Keith J. Bowman, Alexander H. King

Alexander H. King

Sodium-doped bismuth titanate undergoes a transformation from Bi4Ti3O12 to Na0.5Bi4.5Ti4O15 on heating in air at temperatures exceeding 800 °C. This transformation proceeds through the intermediate Na0.5Bi8.5Ti7O27 structure which is an intergrowth phase of the two. High-resolution transmission electron microscopy was used to study this transformation. From the Moiré pattern that was obtained, the crystallographic orientation of the transformation front has been determined and a mechanism is proposed for this structural transformation.

Dislocation-Indenter Interaction In Nanoindentation, M. Ravi Shankar, Alexander H. King, Srinivasan Chandrasekar

Alexander H. King

A formulation of dislocation-indenter interaction in two-dimensional, isotropic elasticity is presented. A significant dislocation-indenter interaction is predicted when dislocations are nucleated very close to the indenter. This interaction is expected to have an important influence on dislocation motion and multiplication. Upon nucleation close to the indenter, the dislocations are shown to modify the load, load distribution, and moment acting on the indenter. This effect is seen to vary with the indentation contact length. Further away from the indenter, the indenter-dislocation interaction is shown to be negligible.

Vibrational Dependence Of The H2–H2 C6 Coefficients, Robert Hinde

Robert Hinde

We use the sum-over-states formalism to compute the imaginary-frequency dipole polarizabilities for H₂, as a function of the H–H bond length, at the full configuration interaction level of theory using atom-centered d-aug-cc-pVQZ basis sets. From these polarizabilities, we obtain isotropic and anisotropic C₆ dispersion coefficients for a pair of H₂ molecules as functions of the two molecules’ bond lengths.

Nuclear Criticality, Shielding, And Thermal Analyses Of Separations Processes For The Transmutation Fuel Cycle, William Culbreth, Denis Beller

Separations Campaign (TRP)

The first step in any transmutation strategy is the separation of radionuclides in used nuclear fuel. The current separation strategy supporting the Advanced Fuel Cycle Initiative (AFCI) program is based on the use of a solvent extraction separation process to separate the actinides, fission products, and uranium from used commercial nuclear fuel, and on the use of pyrochemical separation technologies to process used transmuter fuels. To separate the fission products and transuranic elements from the uranium in used fuel, the national program is developing a new solvent extraction process, the Uranium Extraction Plus, or UREX+, process based on the traditional …

Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Allen L. Johnson, Dale L. Perry

Transmutation Sciences Materials (TRP)

There is an active international interest in lead-bismuth eutectic and similar liquid lead systems because of the relevance to the transmutation of nuclear waste, fast reactors, and spallation neutron sources.

Materials in these systems must be able to tolerate high neutron fluxes, high temperatures, and chemical corrosion. For lead bismuth eutectic (LBE) systems, there is an additional challenge because the corrosive behaviors of materials in LBE are not well understood. Most of the available information on LBE systems has come from the Russians, who have over 80 reactor-years experience with LBE coolant in their Alpha-class submarine reactors. The Russians found …

Interaction Between Metal Fission Products And Triso Coating Materials: A Study Of Chemical Bonding And Interdiffusion: 1st Quarter Report, 2005, Clemens Heske

Fuels Campaign (TRP)

In this project we utilize a combination of state-of-the-art soft X-ray spectroscopies to understand the chemical bonding between metal fission products (Pd and Ag) with coating layers in TRISO fuel particles (SiC and pyrocarbon). We are primarily focusing on an analysis of intermediate chemical phases at the interface, the intermixing/diffusion behavior, and the electronic interface structure as a function of material choice (metal and coating materials), temperature, and external stress. In the current first project year, we are beginning these investigations with the Pd/SiC interface, as discussed in the previous two quarterly reports. Our first experiments (both using our lab …

Dissolution, Reactor, And Environmental Behavior Of Zro2-Mgo Inert Fuel Matrix, Kenneth Czerwinski

Fuels Campaign (TRP)

This project examines inert fuels containing ZrO₂ and MgO as the inert matrix, with the relative amount of MgO varied from 30% to 70% in ZrO₂. Reactor physics calculations are used to examine suitable quantities of burnable poisons from the candidate elements Gd, Er, or Hf with reactor grade Pu providing the fissile component, with up to 10% of ²³⁹Pu. Ceramics are synthesized and characterized based on the reactor physics results. The solubility of the fuel ceramics, in reactor conditions, reprocessing conditions, and repository conditions, are investigated in a manner to provide thermodynamic data necessary for …

University Of Nevada, Las Vegas Transmutation Research Program: Annual Report Academic Year 2004-2005, Anthony Hechanova, Kathy Lauckner

Transmutation Research Program Reports (TRP)

It is my pleasure to present the UNLV Transmutation Research Program’s fourth annual report that highlights the academic year 2004 – 2005. Supporting this document are the many technical reports and scientific papers that have been generated over the past three years.

In the fourth year of our program, we added 11 new research tasks and saw the conclusion of 8 of the initial 16 independent student research tasks started in 2001 and 2002. In all, the program has sponsored to their conclusion 28 M.S. and 2 Ph.D. degrees. The program supported 58 graduate students and 13 undergraduates in 6 …

The Effect Of Cu-Doping On The Magnetic And Transport Properties Of La₀.₇Sr₀.₃Mno₃, M. S. Kim, Jinbo Yang, Qingsheng Cai, X.-D. Zhou, William B. Yelon, Paul Ernest Parris, William Joseph James

Physics Faculty Research & Creative Works

The effects of Cu-doping on the structural, magnetic, and transport properties of La0.7Sr0.3Mn1xCuxO3 (0<=x<=0.20) have been studied using neutron diffraction, magnetization, and magnetoresistance (MR) measurements. All samples show the rhombohedral structure with the R[overline 3]c space-group from 10 K to room temperature (RT). Neutron diffraction data suggest that some of the Cu ions have a Cu3+ state in these compounds. The substitution of Mn by Cu affects the MnO bond length and Mn-O-Mn bond angle resulting from the minimization of the distortion of the MnO6 octahedron. Resistivity measurements show that a metal to insulator transition occurs for the x>=0.15 samples. The x=0.15 sample shows the highest MR([approximate]80%), which might result from the co-existence of Cu3-Cu2+ and the dilution effect of Cu-doping on the double exchange interaction

Anion And Cation-Yield Spectroscopy Of Core-Excited Sf6, Maria Novella Piancastelli, Wayne C. Stolte, Renaud Guillemin, A. Wolska, M. M. Sant'anna, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

We report an extensive study on total and partial-ion-yield spectroscopy around both the S 2p and F 1s thresholds in SF₆. All positive and negative single-ion channels have been measured. Below the F 1s threshold we detect a large variation in relative intensity of the resonant structures according to the specific channel monitored, indicating selective fragmentation. Above threshold, at variance with previous cases described by us, we detect high-intensity structures related to shape resonances not only in the cation channels but also for the anions. We discuss the applicability and limits of a model we …

Fragmentation Dynamics Of H2s Following S 2p Photoexcitation, Renaud Guillemin, S-W Yu, Wayne C. Stolte, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

The fragmentation dynamics of core-excited H₂S has been studied by means of partial anion and cation yield measurements around the S L_2,3-subshell ionization thresholds. All detectable ionic fragments are reported, and significant differences between partial ion yields are observed. Possible dissociation pathways are discussed by comparison to previous studies of electron spectra.

Near-Edge X-Ray Absorption Fine Structure Study Of Ion-Beam-Induced Phase Transformation In Gd2(Ti1-Yzry)2o7, Ponnusamy Nachimuthu, S. Thevuthasan, V. Shutthanandan, E. M. Adams, W. J. Weber, B. D. Begg, D. K. Shuh, Dennis W. Lindle, Eric M. Gullikson, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

The structural and electronic properties of Gd₂(Ti_1−yZr_y)₂O₇ (y=0–1) pyrochlores following a 2.0-MeV Au²⁺ ion-beam irradiation (~5.0 X 10¹⁴ Au²⁺/cm²) have been investigated by Ti 2p and O 1s near-edge x-ray absorption fine structure (NEXAFS). The irradiation of Gd₂(Ti_1−yZr_y)₂O₇ leads to the phase transformation from the ordered pyrochlore structure (Fd3m) to the defect fluorite structure (Fm3m) regardless of Zr concentration. Irradiated Gd₂(Ti_{1−y …}

Dielectric Properties And Maxwell-Wagner Relaxation Of Compounds Acu3ti4o12 (A=Ca,Bi2/3,Y2/3,La2/3), Jianjun Liu, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, John R. Hardy

Physics Faculty Publications

We have studied the frequency and temperature dependences of permittivity and impedance of the compounds ACu3Ti4O12 A=Ca, Bi2/3, Y2/3, La2/3 in the ranges of 10−1–106 Hz and −150–200 °C. All compounds investigated display similar dielectric properties. Specifically, they all have a Debye-like relaxation and their dielectric constants are independent of frequency and temperature over a wide range. They all have two electrical responses in impedance formalism, indicating that there are two distinct contributions. We attribute them to grains and grain boundaries in the ceramic samples and explain the dielectric behaviors by Maxwell-Wagner relaxation arising at the interfaces between grains and …

Molecular Dynamics Simulations Of Amphiphilic Molecules, Roger L. Mcmullen Jr.

Seton Hall University Dissertations and Theses (ETDs)

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Vibrational Dependence Of The H2–H2 C6 Coefficients, Robert Hinde

Chemistry Publications and Other Works

We use the sum-over-states formalism to compute the imaginary-frequency dipole polarizabilities for H₂, as a function of the H–H bond length, at the full configuration interaction level of theory using atom-centered d-aug-cc-pVQZ basis sets. From these polarizabilities, we obtain isotropic and anisotropic C₆ dispersion coefficients for a pair of H₂ molecules as functions of the two molecules’ bond lengths.

Coupled Electrical And Magnetic Properties In (La,Sr)Feo3-Δ, X.-D. Zhou, Qingsheng Cai, Jinbo Yang, M. S. Kim, William B. Yelon, William Joseph James, Y.-W. Shin, B. J. Scarfino, Harlan U. Anderson

Materials Science and Engineering Faculty Research & Creative Works

This article is aimed at studying the temperature dependence oxygen nonstoichiometry, magnetic moments, Fe³⁺ fraction, Néel temperature and conductivity of (La,Sr)FeO_3-δ. It is found that the magnetic properties in La_0.60 Sr_0.40 Fe_3-δ is determined by Fe³⁺ and its concentration, and the conductance is resulted from Fe⁴⁺ ions, which act as electron holes. Both of magnetic and electrical properties were directly governed by oxygen nonstoichiometry (δ). when δ=0.2, the compound has maximum Fe³⁺, the saturation magnetic moments and Néel temperature are 3.8 µB and 410 °C, both at the highest level, …

Phase Transition In Single Crystal Cs2nb4o11, Jianjun Liu, E. P. Kharitonova, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, John R. Hardy

Physics Faculty Publications

We studied temperature dependence of complex capacitance, impedance, and polarized Raman spectra of single crystal Cs₂Nb₄O₁₁. First, we observed a sharp λ-shaped peak at 165 °C in the complex capacitance, then found drastic changes in the Raman spectra in the same temperature range. Utilizing the pseudosymmetry search of structure space group, we attributed the observed anomalies to a structural change from the room temperature orthorhombic Pnn2 to another orthorhombic Imm2. We also measured room temperature polarized Raman spectra in different symmetries of normal vibrations and assigned high wavenumber Raman bands to the …