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Solvation! (open access)

Solvation!

This dissertation consists of two closely related parts: theory development and coding of correlation effects in a model potential for solvation, and study of solvent effects on chemical reactions and processes. The effective fragment potential (EFP) method has been re-parameterized, using density functional theory (DFT), more specifically, the B3LYP functional. The DFT based EFP method includes short-range correlation effects; hence it is a first step in incorporating the treatment of correlation in the EFP solvation model. In addition, the gradient of the charge penetration term in the EFP model was derived and coded. The new method has been implemented in the electronic structure code GAMESS and is in use. Formulas for the dynamic dipole polarizability, C{sub 6} dispersion coefficient and dispersion energy were derived and coded as a part of a treatment of the dispersion interactions in the general solvation model, EFP2. Preliminary results are in good agreement with experimental and other theoretical data. The DFT based EFP (EFP1/DFT) method was used in the study of microsolvation effects on the S{sub N}2 substitution reaction, between chloride and methyl bromide. Changes in the central barrier, for several lowest lying isomers of the systems with one, two, three and four waters, were …
Date: December 19, 2004
Creator: Adamovic, Ivana
System: The UNT Digital Library
Gas Sensors Based on Ceramic p-n Heterocontacts (open access)

Gas Sensors Based on Ceramic p-n Heterocontacts

Ceramic p-n heterocontacts based on CuO/ZnO were successfully synthesized and a systematic study of their hydrogen sensitivity was conducted. The sensitivity and response rates of CuO/ZnO sensors were studied utilizing current-voltage, current-time, and impedance spectroscopy measurements. The heterocontacts showed well-defined rectifying characteristics and were observed to detect hydrogen via both dc and ac measurements. Surface coverage data were derived from current-time measurements which were then fit to a two-site Langmuir adsorption model quite satisfactorily. The fit suggested that there should be two energetically different adsorption sites in the system. The heterocontacts were doped in an attempt to increase the sensitivity and the response rate of the sensor. First, the effects of doping the p-type (CuO) on the sensor characteristics were investigated. Doping the p-type CuO with both acceptor and isovalent dopants greatly improved the hydrogen sensitivity. The sensitivity of pure heterocontact observed via I-V measurements was increased from {approx}2.3 to {approx}9.4 with Ni doping. Dopants also enhanced the rectifying characteristics of the heterocontacts. Small amounts of Li addition were shown to decrease the reverse bias (saturation) current to 0.2 mA at a bias level of -5V. No unambiguous trends were observed between the sensitivity, the conductivity, and the density of …
Date: December 19, 2004
Creator: Aygun, Seymen Murat
System: The UNT Digital Library
Oxidation Behavior and Chlorination Treatment to Improve Oxidation Resistance of Nb-Mo-Si-B Alloys (open access)

Oxidation Behavior and Chlorination Treatment to Improve Oxidation Resistance of Nb-Mo-Si-B Alloys

This thesis is written in an alternate format. The thesis is composed of a general introduction, two original manuscripts, and a general conclusion. References cited within each chapter are given at the end of each chapter. The general introduction starts with the driving force behind this research, and gives an overview of previous work on boron doped molybdenum silicides, Nb/Nb{sub 5}Si{sub 3} composites, boron modified niobium silicides and molybdenum niobium silicides. Chapter 2 focuses on the oxidation behavior of Nb-Mo-Si-B alloys. Chapter 3 contains studies on a novel chlorination technique to improve the oxidation resistance of Nb-Mo-Si-B alloys. Chapter 4 summarizes the important results in this study.
Date: December 19, 2004
Creator: Behrani, Vikas
System: The UNT Digital Library
Search for Large Extra Dimensions Based on Observations of Neutron Stars with the Fermi-LAT (open access)

Search for Large Extra Dimensions Based on Observations of Neutron Stars with the Fermi-LAT

Large extra dimensions (LED) have been proposed to account for the apparent weakness of gravitation. These theories also indicate that the postulated massive Kaluza-Klein (KK) gravitons may be produced by nucleon-nucleon bremsstrahlung in the course of core collapse of supernovae. Hannestad and Raffelt have predicted energy spectra of gamma ray emission from the decay of KK gravitons trapped by the gravity of the remnant neutron stars (NS). These and other authors have used EGRET data on NS to obtain stringent limits on LED. Fermi-LAT is observing radio pulsar positions obtained from radio and x-ray catalogs. NS with certain characteristics are unlikely emitter of gamma rays, and emit in radio and perhaps x-rays. This talk will focus on the blind analysis we plan to perform, which has been developed using the 1st 2 months of all sky data and Monte Carlo simulations, to obtain limits on LED based on about 1 year of Fermi-LAT data. Preliminary limits from this analysis using these first 2 months of data will be also be discussed.
Date: September 19, 2012
Creator: Berenji, Bijan & /Stanford U., Appl. Phys. Dept. /SLAC
System: The UNT Digital Library
High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study (open access)

High-Pressure Catalytic Reactions of C6 Hydrocarbons on PlatinumSingle-Crystals and nanoparticles: A Sum Frequency Generation VibrationalSpectroscopic and Kinetic Study

Catalytic reactions of cyclohexene, benzene, n-hexane, 2-methylpentane, 3-methylpentane, and 1-hexene on platinum catalysts were monitored in situ via sum frequency generation (SFG) vibrational spectroscopy and gas chromatography (GC). SFG is a surface specific vibrational spectroscopic tool capable of monitoring submonolayer coverages under reaction conditions without gas-phase interference. SFG was used to identify the surface intermediates present during catalytic processes on Pt(111) and Pt(100) single-crystals and on cubic and cuboctahedra Pt nanoparticles in the Torr pressure regime and at high temperatures (300K-450K). At low pressures (<10{sup -6} Torr), cyclohexene hydrogenated and dehydrogenates to form cyclohexyl (C{sub 6}H{sub 11}) and {pi}-allyl C{sub 6}H{sub 9}, respectively, on Pt(100). Increasing pressures to 1.5 Torr form cyclohexyl, {pi}-allyl C{sub 6}H{sub 9}, and 1,4-cyclohexadiene, illustrating the necessity to investigate catalytic reactions at high-pressures. Simultaneously, GC was used to acquire turnover rates that were correlated to reactive intermediates observed spectroscopically. Benzene hydrogenation on Pt(111) and Pt(100) illustrated structure sensitivity via both vibrational spectroscopy and kinetics. Both cyclohexane and cyclohexene were produced on Pt(111), while only cyclohexane was formed on Pt(100). Additionally, {pi}-allyl c-C{sub 6}H{sub 9} was found only on Pt(100), indicating that cyclohexene rapidly dehydrogenates on the (100) surface. The structure insensitive production of cyclohexane was found …
Date: December 19, 2007
Creator: Bratlie, Kaitlin
System: The UNT Digital Library
An Enquiry Concerning Charmless Semileptonic Decays of Bottom Mesons (open access)

An Enquiry Concerning Charmless Semileptonic Decays of Bottom Mesons

The branching fractions for the decays B {yields} P{ell}{nu}{sub {ell}}, where P are the pseudoscalar charmless mesons {pi}{sup {+-}}, {pi}{sup 0}, {eta} and {eta}{prime} and {ell} is an electron or muon, are measured with B{sup 0} and B{sup {+-}} mesons found in the recoil of a second B meson decaying as B {yields} D{ell}{nu}{sub {ell}} or B {yields} D*{ell}{nu}{sub {ell}}. The measurements are based on a data set of 348 fb{sup -1} of e{sup +}e{sup -} collisions at {radical}s = 10.58 GeV recorded with the BABAR detector. Assuming isospin symmetry, measured pionic branching fractions are combined into {Beta}(B{sup 0} {yields} {pi}{sup -}{ell}{sup +}{nu}{sub {ell}}) = (1.54 {+-} 0.17{sub (stat)} {+-} 0.09{sub (syst)}) x 10{sup -4}. First evidence of the B{sup +} {yields} {eta}{ell}{sup +}{nu}{sub {ell}} decay is seen; its branching fraction is measured to be {Beta}(B{sup +} {yields} {eta}{ell}{sup +}{nu}{sub {ell}}) = (0.64 {+-} 0.20{sub (stat)} {+-} 0.03{sub (syst)}) x 10{sup -4}. It is determined that {Beta}(B{sup +} {yields} {eta}{prime}{ell}{sup +}{nu}{sub {ell}}) < 0.47 x 10{sup -4} to 90% confidence. Partial branching fractions for the pionic decays in ranges of the momentum transfer and various published calculations of the B {yields} {pi} hadronic form factor are used to obtain values …
Date: September 19, 2008
Creator: Chaisanguanthum, Kris Somboon & /SLAC, /Harvard U.
System: The UNT Digital Library
Synthesis and Manipulation of Semiconductor Nanocrystals in Microfluidic Reactors (open access)

Synthesis and Manipulation of Semiconductor Nanocrystals in Microfluidic Reactors

Microfluidic reactors are investigated as a mechanism tocontrol the growth of semiconductor nanocrystals and characterize thestructural evolution of colloidal quantum dots. Due to their shortdiffusion lengths, low thermal masses, and predictable fluid dynamics,microfluidic devices can be used to quickly and reproducibly alterreaction conditions such as concentration, temperature, and reactiontime, while allowing for rapid reagent mixing and productcharacterization. These features are particularly useful for colloidalnanocrystal reactions, which scale poorly and are difficult to controland characterize in bulk fluids. To demonstrate the capabilities ofnanoparticle microreactors, a size series of spherical CdSe nanocrystalswas synthesized at high temperature in a continuous-flow, microfabricatedglass reactor. Nanocrystal diameters are reproducibly controlled bysystematically altering reaction parameters such as the temperature,concentration, and reaction time. Microreactors with finer control overtemperature and reagent mixing were designed to synthesize nanoparticlesof different shapes, such as rods, tetrapods, and hollow shells. The twomajor challenges observed with continuous flow reactors are thedeposition of particles on channel walls and the broad distribution ofresidence times that result from laminar flow. To alleviate theseproblems, I designed and fabricated liquid-liquid segmented flowmicroreactors in which the reaction precursors are encapsulated inflowing droplets suspended in an immiscible carrier fluid. The synthesisof CdSe nanocrystals in such microreactors exhibited reduced depositionand residence time …
Date: December 19, 2006
Creator: Chan, Emory Ming-Yue
System: The UNT Digital Library
Efficient Video Similarity Measurement and Search (open access)

Efficient Video Similarity Measurement and Search

The amount of information on the world wide web has grown enormously since its creation in 1990. Duplication of content is inevitable because there is no central management on the web. Studies have shown that many similar versions of the same text documents can be found throughout the web. This redundancy problem is more severe for multimedia content such as web video sequences, as they are often stored in multiple locations and different formats to facilitate downloading and streaming. Similar versions of the same video can also be found, unknown to content creators, when web users modify and republish original content using video editing tools. Identifying similar content can benefit many web applications and content owners. For example, it will reduce the number of similar answers to a web search and identify inappropriate use of copyright content. In this dissertation, they present a system architecture and corresponding algorithms to efficiently measure, search, and organize similar video sequences found on any large database such as the web.
Date: December 19, 2002
Creator: Cheung, Sen-Cheng S.
System: The UNT Digital Library
Inclusive Rates and Spectra of the Lambda, Cascade, and Omega Hyperons atBaBar (open access)

Inclusive Rates and Spectra of the Lambda, Cascade, and Omega Hyperons atBaBar

We employ Runs 1-4 off-peak data sample (about 21.5 fb{sup -1}) to produce the current world-best spectra and production rates measurements for three strangely-flavored baryons: the {Lambda} hyperon, the cascade hyperon, and the {Omega} hyperon. These improved measurements shall enable theoretical and phenomelogical workers to generate more realistic models for the hadronization process, currently one of the unresolved problem areas in the standard model of particle physics. This analysis was conducted using codes from release 16 series. We report the production rate at 10.54 GeV for the {Lambda} as 0.0900 {+-} 0.0006(stat.) {+-} 0.0039(sys.) per hadronic event. Our measured production rate at the same energy for the cascade hyperon is 0.00562 {+-} 0.00013(stat.) {+-} 0.00045(sys.) per hadronic event, while that for the {Omega} hyperon is 0.00027 {+-} 0.00004(stat.) {+-} 0.0008(sys.) per hadronic event. The spectral measurements for the respective particles also constitute current world-best measurements.
Date: May 19, 2008
Creator: Chien, Andrew L.
System: The UNT Digital Library
Structural Analysis of Shipping Casks, Vol. 9. Energy Absorption Capabilities of Plastically Deformed Struts Under Specified Impact Loading Conditions (open access)

Structural Analysis of Shipping Casks, Vol. 9. Energy Absorption Capabilities of Plastically Deformed Struts Under Specified Impact Loading Conditions

The purpose of this investigation was to determine the energy absorption characteristics of plastically deformed inclined struts under impact loading. This information is needed to provide a usable method by which designers and analysts of shipping casks for radioactive or fissile materials can determine the energy absorption capabilities of external longitudinal fins on cylindrical casks under specified impact conditions. A survey of technical literature related to experimental determination of the dynamic plastic behavior of struts revealed no information directly applicable to the immediate problem, especially in the impact velocity ranges desired, and an experimental program was conducted to obtain the needed data. Mild-steel struts with rectangular cross sections were impacted by free-falling weights dropped from known heights. These struts or fin specimens were inclined at five different angles to simulate different angles of impact that fins on a shipping cask could experience under certain accident conditions. The resisting force of the deforming strut was measured and recorded as a function of time by using load cells instrumented with resistance strain gage bridges, signal conditioning equipment, an oscilloscope, and a Polaroid camera. The acceleration of the impacting weight was measured and recorded as a function of time during the latter portion …
Date: February 19, 2001
Creator: Davis, F. C.
System: The UNT Digital Library
Search for the Production of Gluinos and Squarks with the CDF II Experiment at the Tevatron Collider (open access)

Search for the Production of Gluinos and Squarks with the CDF II Experiment at the Tevatron Collider

This thesis reports on two searches for the production of squarks and gluinos, supersymmetric partners of the Standard Model (SM) quarks and gluons, using the CDF detector at the Tevatron √s = 1.96 TeV p$\bar{p}$ collider. An inclusive search for squarks and gluinos pair production is performed in events with large E<sub>T</sub> and multiple jets in the final state, based on 2 fb<sup>-1</sup> of CDF Run II data. The analysis is performed within the framework of minimal supergravity (mSUGRA) and assumes R-parity conservation where sparticles are produced in pairs. The expected signal is characterized by the production of multiple jets of hadrons from the cascade decays of squarks and gluinos and large missing transverse energy E<sub>T</sub> from the lightest supersymmetric particles (LSP). The measurements are in good agreement with SM predictions for backgrounds. The results are translated into 95% confidence level (CL) upper limits on production cross sections and squark and gluino masses in a given mSUGRA scenario. An upper limit on the production cross section is placed in the range between 1 pb and 0.1 pb, depending on the gluino and squark masses considered. The result of the search is negative for gluino and squark masses up to 392 …
Date: May 19, 2010
Creator: De Lorenzo, Gianluca
System: The UNT Digital Library
Development of Chiral LC-MS Methods for small Molecules and Their Applications in the Analysis of Enantiomeric Composition and Pharmacokinetic Studies (open access)

Development of Chiral LC-MS Methods for small Molecules and Their Applications in the Analysis of Enantiomeric Composition and Pharmacokinetic Studies

The purpose of this research was to develop sensitive LC-MS methods for enantiomeric separation and detection, and then apply these methods for determination of enantiomeric composition and for the study of pharmacokinetic and pharmacodynamic properties of a chiral nutraceutical. Our first study, evaluated the use of reverse phase and polar organic mode for chiral LC-API/MS method development. Reverse phase methods containing high water were found to decrease ionization efficiency in electrospray, while polar organic methods offered good compatibility and low limits of detection with ESI. The use of lower flow rates dramatically increased the sensitivity by an order of magnitude. Additionally, for rapid chiral screening, the coupled Chirobiotic column afforded great applicability for LC-MS method development. Our second study, continued with chiral LC-MS method development in this case for the normal phase mode. Ethoxynonafluorobutane, a fluorocarbon with low flammability and no flashpoint, was used as a substitute solvent for hexane/heptane mobile phases for LC-APCI/MS. Comparable chromatographic resolutions and selectivities were found using ENFB substituted mobile phase systems, although, peak efficiencies were significantly diminished. Limits of detection were either comparable or better for ENFB-MS over heptane-PDA detection. The miscibility of ENFB with a variety of commonly used organic modifiers provided for …
Date: December 19, 2004
Creator: Desai, Meera Jay
System: The UNT Digital Library
Group 4 Metalloporphyrin diolato Complexes and Catalytic Application of Metalloporphyrins and Related Transition Metal Complexes (open access)

Group 4 Metalloporphyrin diolato Complexes and Catalytic Application of Metalloporphyrins and Related Transition Metal Complexes

In this work, the first examples of group 4 metalloporphyrin 1,2-diolato complexes were synthesized through a number of strategies. In general, treatment of imido metalloporphyrin complexes, (TTP)M=NR, (M = Ti, Zr, Hf), with vicinal diols led to the formation of a series of diolato complexes. Alternatively, the chelating pinacolate complexes could be prepared by metathesis of (TTP)MCl{sub 2} (M = Ti, Hf) with disodium pinacolate. These complexes were found to undergo C-C cleavage reactions to produce organic carbonyl compounds. For titanium porphyrins, treatment of a titanium(II) alkyne adduct, (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh), with aromatic aldehydes or aryl ketones resulted in reductive coupling of the carbonyl groups to produce the corresponding diolato complexes. Aliphatic aldehydes or ketones were not reactive towards (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh). However, these carbonyl compounds could be incorporated into a diolato complex on reaction with a reactive precursor, (TTP)Ti[O(Ph){sub 2}C(Ph){sub 2}O] to provide unsymmetrical diolato complexes via cross coupling reactions. In addition, an enediolato complex (TTP)Ti(OCPhCPhO) was obtained from the reaction of (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh) with benzoin. Titanium porphyrin diolato complexes were found to be intermediates in the (TTP)Ti=O-catalyzed cleavage reactions of vicinal diols, in which atmospheric oxygen was the oxidant. Furthermore, (TTP)Ti=O was capable of catalyzing the oxidation of benzyl alcohol …
Date: December 19, 2004
Creator: Du, Guodong
System: The UNT Digital Library
Development of colorimetric solid Phase Extraction (C-SPE) for in-flight Monitoring of spacecraft Water Supplies (open access)

Development of colorimetric solid Phase Extraction (C-SPE) for in-flight Monitoring of spacecraft Water Supplies

Although having recently been extremely successful gathering data on the surface of Mars, robotic missions are not an effective substitute for the insight and knowledge about our solar system that can be gained though first-hand exploration. Earlier this year, President Bush presented a ''new course'' for the U.S. space program that shifts NASA's focus to the development of new manned space vehicles to the return of humans to the moon. Re-establishing the human presence on the moon will eventually lead to humans permanently living and working in space and also serve as a possible launch point for missions into deeper space. There are several obstacles to the realization of these goals, most notably the lack of life support and environmental regeneration and monitoring hardware capable of functioning on long duration spaceflight. In the case of the latter, past experience on the International Space Station (ISS), Mir, and the Space Shuttle has strongly underscored the need to develop broad spectrum in-flight chemical sensors that: (1) meet current environmental monitoring requirements on ISS as well as projected requirements for future missions, and (2) enable the in-situ acquisition and analysis of analytical data in order to further define on-orbit monitoring requirements. Additionally, systems …
Date: December 19, 2004
Creator: Gazda, Daniel Bryan
System: The UNT Digital Library
Microstructural Development in Al-Si Powder During Rapid Solidification (open access)

Microstructural Development in Al-Si Powder During Rapid Solidification

Powder metallurgy has become an increasingly important form of metal processing because of its ability to produce materials with superior mechanical properties. These properties are due in part to the unique and often desirable microstructures which arise as a result of the extreme levels of undercooling achieved, especially in the finest size powder, and the subsequent rapid solidification which occurs. A better understanding of the fundamental processes of nucleation and growth is required to further exploit the potential of rapid solidification processing. Aluminum-silicon, an alloy of significant industrial importance, was chosen as a model for simple eutectic systems displaying an unfaceted/faceted interface and skewed coupled eutectic growth zone, Al-Si powder produced by high pressure gas atomization was studied to determine the relationship between microstructure and alloy composition as a function of powder size and atomization gas. Critical experimental measurements of hypereutectic (Si-rich) compositions were used to determine undercooling and interface velocity, based on the theoretical models which are available. Solidification conditions were analyzed as a function of particle diameter and distance from nucleation site. A revised microstructural map is proposed which allows the prediction of particle morphology based on temperature and composition. It is hoped that this work, by providing …
Date: December 19, 2004
Creator: Genau, Amber Lynn
System: The UNT Digital Library
Analysis of Current Distribution in Electrolytic Cells With Flowing Mercury Cathodes (open access)

Analysis of Current Distribution in Electrolytic Cells With Flowing Mercury Cathodes

An idealized model is postulated embodying the essential features of industrial caustic-chlorine cells with horizontal flowing-mercury cathodes. This model is examined in detail, and relations expressing the local anode potential, cathode potential, and ohmic potential drop in the electrolyte in terms of local current density and other parameters are established. These relations are combined to give a system of equations relating current density at any location along the cell to applied total potential and to operating conditions in the cell upstream of the point in question. Numerical solutions of these equations for several cases of cell operating conditions are carried out on a digital computing machine. The effects of changes in operating parameters upon average current density, individual electrode potentials, and current distribution are evaluated. (auth)
Date: July 19, 1960
Creator: Grens, E. A., II
System: The UNT Digital Library
Critical Behavior of Thermal Expansion and Magnetostriction in the Vicinity of the First order transition at the Curie Point of Gd5(SixGe1-x)4 (open access)

Critical Behavior of Thermal Expansion and Magnetostriction in the Vicinity of the First order transition at the Curie Point of Gd5(SixGe1-x)4

Thermal expansion (TE) and magnetostriction (MS) measurements have been conducted for Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} with a series of x values to study its critical behavior in the vicinity of transition temperatures. It was found that the Curie temperature of Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} for x 0 {approx} 0.5 is dependent on magnetic field, direction of change of temperature (Tc on cooling was lower than Tc on heating), purity of Gd starting material, compositions, material preparation methods, and also can be triggered by the external magnetic field with a different dT/dB rate for different x values. For Gd{sub 5}(Si{sub 1.95}Ge{sub 2.05}), Gd{sub 5}(Si{sub 2}Ge{sub 2}), Gd{sub 5}(Si{sub 2.09}Ge{sub 1.91}), it was also found that the transition is a first order magneto-structural transition, which means the magnetic transition and crystalline structure transition occur simultaneously, and completely reversible. Temperature hysteresis and phase coexistence have been found to confirm that it is a first order transformation. While for Gd{sub 5}(Si{sub 0.15}Ge{sub 3.85}), it is partially reversible at some temperature range between the antiferromagnetic and the ferromagnetic state. For Gd{sub 5}(Si{sub 2.3}Ge{sub 1.7}) and Gd{sub 5}(Si{sub 3}Ge{sub 1}), it was a second order transformation between the paramagnetic and ferromagnetic state, because no …
Date: December 19, 2004
Creator: Han, Mangui
System: The UNT Digital Library
Spectroscopy of High-Temperature Systems (open access)

Spectroscopy of High-Temperature Systems

Report discussing a study aiming to find which electronic state of the C2 molecule is the groud state.
Date: February 19, 1957
Creator: Hicks, William Thomas
System: The UNT Digital Library
Low energy electron diffraction (LEED) and sum frequency generation (SFG) vibrational spectroscopy studies of solid-vacuum, solid-air and solid-liquid interfaces (open access)

Low energy electron diffraction (LEED) and sum frequency generation (SFG) vibrational spectroscopy studies of solid-vacuum, solid-air and solid-liquid interfaces

Electron based surface probing techniques can provide detailed information about surface structure or chemical composition in vacuum environments. The development of new surface techniques has made possible in situ molecular level studies of solid-gas interfaces and more recently, solid-liquid interfaces. The aim of this dissertation is two-fold. First, by using novel sample preparation, Low Energy Electron Diffraction (LEED) and other traditional ultra high vacuum (UHV) techniques are shown to provide new information on the insulator/vacuum interface. The surface structure of the classic insulator NaCl has been determined using these methods. Second, using sum frequency generation (SFG) surface specific vibrational spectroscopy studies were performed on both the biopolymer/air and electrode/electrolyte interfaces. The surface structure and composition of polyetherurethane-silicone copolymers were determined in air using SFG, atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS). SFG studies of the electrode (platinum, gold and copper)/electrolyte interface were performed as a function of applied potential in an electrochemical cell.
Date: August 19, 2002
Creator: Hoffer, Saskia
System: The UNT Digital Library
Understanding conformal field theory through parafermions and Chern Simons theory (open access)

Understanding conformal field theory through parafermions and Chern Simons theory

Conformal field theories comprise a vast class of exactly solvable two dimensional quantum field theories. Conformal theories with an enlarged symmetry group, the current algebra symmetry, axe a key ingredient to possible string compactification models. The following work explores a Lagrangian approach to these theories. In the first part of this thesis, a large class of conformal theories, the so-called coset models, are derived semi-classically from a gauged version Of the Wess-Zumino-Witten functional. A non-local field transformation to the parafermionic field description is employed in the quantization procedure. Classically, these parafermionic fields satisfy non-trivial Poisson brackets, providing insight into the fractional spin nature of the conformal theory. The W-algebra symmetry is shown to appear naturally in this approach. In the second part of this thesis, the connection between the fusion algebra structure of Wess-Zumino-Witten models and the quantization of the Chern-Simons action on the torus is made explicit. The modular properties of the conformal model are also derived in this context, giving a natural demonstration of the Verlinde conjecture. The effects of background gauge fields and monopoles are also discussed.
Date: November 19, 1992
Creator: Hotes, S. A.
System: The UNT Digital Library
A Performance Comparison of Tree and Ring Topologies in Distributed System (open access)

A Performance Comparison of Tree and Ring Topologies in Distributed System

A distributed system is a collection of computers that are connected via a communication network. Distributed systems have become commonplace due to the wide availability of low-cost, high performance computers and network devices. However, the management infrastructure often does not scale well when distributed systems get very large. Some of the considerations in building a distributed system are the choice of the network topology and the method used to construct the distributed system so as to optimize the scalability and reliability of the system, lower the cost of linking nodes together and minimize the message delay in transmission, and simplify system resource management. We have developed a new distributed management system that is able to handle the dynamic increase of system size, detect and recover the unexpected failure of system services, and manage system resources. The topologies used in the system are the tree-structured network and the ring-structured network. This thesis presents the research background, system components, design, implementation, experiment results and the conclusions of our work. The thesis is organized as follows: the research background is presented in chapter 1. Chapter 2 describes the system components, including the different node types and different connection types used in the system. …
Date: December 19, 2005
Creator: Huang, Min
System: The UNT Digital Library
New Palladium-Catalyzed Approaches to Heterocycles and Carbocycles (open access)

New Palladium-Catalyzed Approaches to Heterocycles and Carbocycles

The tert-butylimines of o-(1-alkynyl)benzaldehydes and analogous pyridinecarbaldehydes have been cyclized under very mild reaction conditions in the presence of I{sub 2}, ICl, PhSeCl, PhSCl and p-O{sub 2}NC{sub 6}H{sub 4}SCl to give the corresponding halogen-, selenium- and sulfur-containing disubstituted isoquinolines and naphthyridines, respectively. Monosubstituted isoquinolines and naphthyridines have been synthesized by the metal-catalyzed ring closure of these same iminoalkynes. This methodology accommodates a variety of iminoalkynes and affords the anticipated heterocycles in moderate to excellent yields. The Pd(II)-catalyzed cyclization of 2-(1-alkynyl)arylaldimines in the presence of various alkenes provides an efficient way to synthesize a variety of 4-(1-alkenyl)-3-arylisoquinolines in moderate to excellent yields. The introduction of an ortho-methoxy group on the arylaldimine promotes the Pd-catalyzed cyclization and stabilizes the resulting Pd(II) intermediate, improving the yields of the isoquinoline products. Highly substituted naphthalenes have been synthesized by the palladium-catalyzed annulation of a variety of internal alkynes, in which two new carbon-carbon bonds are formed in a single step under relatively mild reaction conditions. This method has also been used to synthesize carbazoles, although a higher reaction temperature is necessary. The process involves arylpalladation of the alkyne, followed by intramolecular Heck olefination and double bond isomerization. This method accommodates a variety of functional groups …
Date: December 19, 2004
Creator: Huang, Qinhua
System: The UNT Digital Library
Morphological Control of Multifunctional Mesoporous Silica Nanomaterials for Catalysis Applications (open access)

Morphological Control of Multifunctional Mesoporous Silica Nanomaterials for Catalysis Applications

I found an efficient method to control the morphology of the organically monofunctionalized mesoporous silica materials by introducing different types of organoalkoxysilanes in a base-catalyzed co-condensation reaction. The monofunctionalized materials exhibit different particle morphologies relative to the pure MCM-41 material. The concentration dependence of the morphology is a critical factor to determine the final particle shape. A proposed mechanism of the shape evolution is also offered. After understanding the role of organoalkoxysilanes in producing various well-shaped nanomaterials, I also obtained a series of bifunctional mesoporous silica materials with certain particle morphology. A series of bifunctional mesoporous silica nanospheres (MSNs) whose physicochemical properties was investigated via solid state NMR techniques and Cu{sup 2+} adsorption capacity tests, The ratio of two different organic groups inside of mesopores of these MSNs could be fine-tuned. These MSNs serve as a useful model system to study substrate selectivity in catalytic reactions and sorption phenomena. For example, the Cu{sup 2+} adsorption capacity of these materials was dictated by the chemical nature of the mesopores generated by the different organic functional groups. An investigation of the substrate selectivity of the bifunctionalized MSNs in a competitive nitroaldol reaction using an equimolar amount of two competing 4-nitrobenzaldehyde derivatives was …
Date: December 19, 2004
Creator: Huh, Seong
System: The UNT Digital Library
Magnetic, Caloric and Crystallographic Properties of Dy5(SixGe1-x)4 Alloys (open access)

Magnetic, Caloric and Crystallographic Properties of Dy5(SixGe1-x)4 Alloys

Polycrystals of the intermetallic compound of the Dy{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} system, where x = 0, 0.25, 0.5, 0.625, 0.675, 0.725, 0.75, 0.775, 0.825, 0.875, and 1, have been prepared by electric-arc-melting on water-cooled copper hearth in an argon atmosphere. A study of phase relationships and crystallography in the pseudobinary system Dy{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} using X-ray powder diffraction data and optical metallography was completed. It revealed that silicides in the composition range from 0.825 to 1 crystallize in the Gd{sub 5}Si{sub 4}-type crystal structure: germanides in the composition range from 0 to 0.625 crystallize in the Sm{sub 5}Ge{sub 4}-type structure, and alloys with intermediate composition range from 0.675 to 0.775 crystallize in the monoclinic Gd{sub 5}Si{sub 2}Ge{sub 2}-type structure. The -{Delta}S{sub m} values were determined from magnetization measurements for 7 alloys. The alloys with a monoclinic crystal structure which belong to an intermediate phase region have large MCE value, which exceeds those observed in the other two phase regions by 300 to 500%. The nature of the observed magnetic and structural transformations in the Dy{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} system seems to be similar with those reported for the Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} system. However, the …
Date: July 19, 2002
Creator: Ivchenko, Vitaliy Vladislavovich
System: The UNT Digital Library