Masters Thesis- Criticality Alarm System Design Guide with Accompanying Alarm System Development for the Radioisotope Production Laboratory in Richland, Washington (open access)

Masters Thesis- Criticality Alarm System Design Guide with Accompanying Alarm System Development for the Radioisotope Production Laboratory in Richland, Washington

A detailed instructional manual was created to guide criticality safety engineers through the process of designing a criticality alarm system (CAS) for Department of Energy (DOE) hazard class 1 and 2 facilities. Regulatory and technical requirements were both addressed. A list of design tasks and technical subtasks are thoroughly analyzed to provide concise direction for how to complete the analysis. An example of the application of the design methodology, the Criticality Alarm System developed for the Radioisotope Production Laboratory (RPL) of Richland, Washington is also included. The analysis for RPL utilizes the Monte Carlo code MCNP5 for establishing detector coverage in the facility. Significant improvements to the existing CAS were made that increase the reliability, transparency, and coverage of the system.
Date: December 20, 2009
Creator: Greenfield, Bryce A.
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Anaerobic Biotransformation and Mobility of Pu and of Pu-EDTA (open access)

Anaerobic Biotransformation and Mobility of Pu and of Pu-EDTA

The enhanced mobility of radionuclides by co-disposed chelating agent, ethylenediaminetetraacetate (EDTA), is likely to occur only under anaerobic conditions. Our extensive effort to enrich and isolate anaerobic EDTA-degrading bacteria has failed. Others has tried and also failed. To explain the lack of anaerobic biodegradation of EDTA, we proposed that EDTA has to be transported into the cells for metabolism. A failure of uptake may contribute to the lack of EDTA degradation under anaerobic conditions. We demonstrated that an aerobic EDTA-degrading bacterium strain BNC1 uses an ABC-type transporter system to uptake EDTA. The system has a periplasmic binding protein that bind EDTA and then interacts with membrane proteins to transport EDTA into the cell at the expense of ATP. The bind protein EppA binds only free EDTA with a Kd of 25 nM. The low Kd value indicates high affinity. However, the Kd value of Ni-EDTA is 2.4 x 10^(-10) nM, indicating much stronger stability. Since Ni and other trace metals are essential for anaerobic respiration, we conclude that the added EDTA sequestrates all trace metals and making anaerobic respiration impossible. Thus, the data explain the lack of anaerobic enrichment cultures for EDTA degradation. Although we did not obtain an EDTA …
Date: November 20, 2009
Creator: Xun, Luying
Object Type: Report
System: The UNT Digital Library
Demonstration of Recessed Downlight Technologies: Power and Illumination Assessment (open access)

Demonstration of Recessed Downlight Technologies: Power and Illumination Assessment

Solid state lighting (SSL), specifically light-emitting diodes (LED), has been advancing at a rapid pace, and there are presently multiple products available that serve as direct replacements for traditional luminaires. In this demonstration, conventional recessed lights in a conference room were used to compare conventional incandescent A-lamps, incandescent reflector R-lamps, dimming compact fluorescent lamps (CFL), to an LED replacement product. The primary focus during the study was on light delivered to the task plane as provided by the power required by the lighting system. Vertical illuminance, dimming range, and color shift are also important indicators of lighting quality and are discussed in the report. The results clearly showed that LEDs, with dimming-capable drivers, are much more efficient than incandescent and CFLs. Further, LEDs provide much smoother and consistent dimming than dimmable CFLs. On the potential negative side, it is important that the dimming switch be identified as compatible with the LED driver. A wide variety of dimmer switches are capable of dimming LEDs down to 15% of full light output, while select others can be capable of dimming LEDs down to 5%. In addition, LEDs can be intensive light sources, which can result in uncomfortable glare in some applications and …
Date: November 20, 2009
Creator: Parker, Steven A. & Beeson, Tracy A.
Object Type: Report
System: The UNT Digital Library
Enhanced Magnetism in Epitaxial SrRuO3 Thin Films (open access)

Enhanced Magnetism in Epitaxial SrRuO3 Thin Films

We have observed enhanced magnetization in epitaxial SrRuO{sub 3} thin films compared to previously reported bulk and thin film values of 1.1-1.6 {mu}{sub B}/Ru ion. The degree of enhancement is strongly dependent on the lattice distortions imposed on the SrRuO{sub 3} films by SrTiO{sub 3}, (LaAlO{sub 3}){sub 0.3}(SrTaO{sub 3}){sub 0.7} (LSAT), and LaAlO{sub 3} substrates. A larger enhancement of magnetization for coherently strained SrRuO{sub 3} films on SrTiO{sub 3} and LSAT compared to fully relaxed films on LaAlO{sub 3} confirms the importance of the strain state in determining the magnetic ground state of the Ru ion. In particular, SrRuO{sub 3} films on (111) SrTiO{sub 3} exhibit exhanced moments as high as 3.8 {mu}{sub B}/Ru ion, thus suggesting the stabilization of a high-spin Ru{sup 4+} state.
Date: November 20, 2009
Creator: Grutter, A.J.; Wong, F.; Arenholz, E.; Liberati, M.; Vailionis, A. & Suzuki, Y.
Object Type: Article
System: The UNT Digital Library
Extending the search for neutrino point sources with IceCube above the horizon (open access)

Extending the search for neutrino point sources with IceCube above the horizon

Point source searches with the IceCube neutrino telescope have been restricted to one hemisphere, due to the exclusive selection of upward going events as a way of rejecting the atmospheric muon background. We show that the region above the horizon can be included by suppressing the background through energy-sensitive cuts. This approach improves the sensitivity above PeV energies, previously not accessible for declinations of more than a few degrees below the horizon due to the absorption of neutrinos in Earth. We present results based on data collected with 22 strings of IceCube, extending its field of view and energy reach for point source searches. No significant excess above the atmospheric background is observed in a sky scan and in tests of source candidates. Upper limits are reported, which for the first time cover point sources in the southern sky up to EeV energies.
Date: November 20, 2009
Creator: Collaboration, IceCube
Object Type: Article
System: The UNT Digital Library
Final Report: A Level-of-Detail Approach to Cluster-based Visualization (open access)

Final Report: A Level-of-Detail Approach to Cluster-based Visualization

In this research project we have tightly integrate the use of level of detail with PC cluster-based rendering systems.
Date: November 20, 2009
Creator: Cohen, Jonathan
Object Type: Report
System: The UNT Digital Library
Generalized Kapchinskij-Vladimirskij Distribution and Envelope Equation for High-intensity Beams in a Coupled Transverse Focusing Lattice (open access)

Generalized Kapchinskij-Vladimirskij Distribution and Envelope Equation for High-intensity Beams in a Coupled Transverse Focusing Lattice

In an uncoupled lattice, the Kapchinskij-Vladimirskij (KV) distribution function first analyzed in 1959 is the only known exact solution of the nonlinear Vlasov-Maxwell equations for high- intensity beams including self-fields in a self-consistent manner. The KV solution is generalized here to high-intensity beams in a coupled transverse lattice using the recently developed generalized Courant-Snyder invariant for coupled transverse dynamics. This solution projects to a rotating, pulsating elliptical beam in transverse configuration space, determined by the generalized matrix envelope equation.
Date: November 20, 2009
Creator: Hong Qin, Moses Chung, and Ronald C. Davidson
Object Type: Report
System: The UNT Digital Library
Inverse problem in anisotropic poroelasticity: Drained constants from undrained ultrasound measurements (open access)

Inverse problem in anisotropic poroelasticity: Drained constants from undrained ultrasound measurements

Poroelastic analysis has traditionally focused on the relationship between dry or drained constants which are assumed known and the saturated or undrained constants which are assumed unknown. However, there are many applications in this field of study for which the main measurements can only be made on the saturated/undrained system, and then it is uncertain what the eects of the uids were on the system, since the drained constants remain a mystery. The work presented here shows how to deduce drained constants from undrained constants for anisotropic systems having symmetries ranging from isotropic to orthotropic. Laboratory ultrasound data are then inverted for the drained constants in three granular packings: one of glass beads, and two others for distinct types of more or less angular sand grain packings. Experiments were performed under uniaxial stress, which resulted in hexagonal (transversely isotropic) symmetry of the poroelastic response. One important conclusion from the general analysis is that the drained constants are uniquely related to the undrained constants, assuming that porosity, grain bulk modulus, and pore uid bulk modulus are already known. Since the resulting system of equations for all the drained constants is linear, measurement error in undrained constants also propagates linearly into the …
Date: November 20, 2009
Creator: Berryman, J.G. & Nakagawa, S.
Object Type: Article
System: The UNT Digital Library
Laboratory Tests on Post-Filtration Precipitation in the WTP Pretreatment Process (open access)

Laboratory Tests on Post-Filtration Precipitation in the WTP Pretreatment Process

Pacific Northwest National Laboratory (PNNL) has been tasked by Bechtel National Inc. (BNI) on the River Protection Project-Hanford Tank Waste Treatment and Immobilization Plant (RPP-WTP) project to perform research and development activities to resolve technical issues identified for the Pretreatment Facility (PTF). The Pretreatment Engineering Platform (PEP) was designed, constructed, and operated as part of a plan to respond to issue M12, "Undemonstrated Leaching Processes," of the External Flowsheet Review Team (EFRT) issue response plan (Barnes et al. 2006). The PEP is a 1/4.5-scale test platform designed to simulate the WTP pretreatment caustic leaching, oxidative leaching, ultrafiltration solids concentration, and slurry washing processes. The PEP replicates the WTP leaching processes using prototypic equipment and control strategies. A simplified flow diagram of the PEP system is shown in Figure 1.1. Two operating scenarios are currently being evaluated for the ultrafiltration process (UFP) and leaching operations. The first scenario has caustic leaching performed in the UFP-2 ultrafiltration feed vessels (i.e., vessel UFP-VSL-T02A in the PEP; and vessels UFP-VSL-00002A and B in the WTP PTF). The second scenario has caustic leaching conducted in the UFP-1 ultrafiltration feed preparation vessels (i.e., vessels UFP-VSL-T01A and B in the PEP; vessels UFP-VSL-00001A and B in the …
Date: November 20, 2009
Creator: Russell, Renee L.; Peterson, Reid A.; Rinehart, Donald E. & Crum, Jarrod V.
Object Type: Report
System: The UNT Digital Library
Linking Automated Data Analysis and Visualization with Applications in Developmental Biology and High-Energy Physics (open access)

Linking Automated Data Analysis and Visualization with Applications in Developmental Biology and High-Energy Physics

Knowledge discovery from large and complex collections of today's scientific datasets is a challenging task. With the ability to measure and simulate more processes at increasingly finer spatial and temporal scales, the increasing number of data dimensions and data objects is presenting tremendous challenges for data analysis and effective data exploration methods and tools. Researchers are overwhelmed with data and standard tools are often insufficient to enable effective data analysis and knowledge discovery. The main objective of this thesis is to provide important new capabilities to accelerate scientific knowledge discovery form large, complex, and multivariate scientific data. The research covered in this thesis addresses these scientific challenges using a combination of scientific visualization, information visualization, automated data analysis, and other enabling technologies, such as efficient data management. The effectiveness of the proposed analysis methods is demonstrated via applications in two distinct scientific research fields, namely developmental biology and high-energy physics.Advances in microscopy, image analysis, and embryo registration enable for the first time measurement of gene expression at cellular resolution for entire organisms. Analysis of high-dimensional spatial gene expression datasets is a challenging task. By integrating data clustering and visualization, analysis of complex, time-varying, spatial gene expression patterns and their formation …
Date: November 20, 2009
Creator: Ruebel, Oliver
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Lower Hybrid Heating and Current Drive on the Alcator C-Mod Tokamak (open access)

Lower Hybrid Heating and Current Drive on the Alcator C-Mod Tokamak

On the Alcator C-Mod tokamak, lower hybrid current drive (LHCD) is being used to modify the current profile with the aim of obtaining advanced tokamak (AT) performance in plasmas with parameters similar to those that would be required on ITER. To date, power levels in excess of 1 MW at a frequency of 4.6 GHz have been coupled into a variety of plasmas. Experiments have established that LHCD on C-Mod behaves globally as predicted by theory. Bulk current drive efficiencies, n20IlhR/Plh ~ 0.25, inferred from magnetics and MSE are in line with theory. Quantitative comparisons between local measurements, MSE, ECE and hard x-ray bremsstrahlung, and theory/simulation using the GENRAY, TORIC-LH CQL3D and TSC-LSC codes have been performed. These comparisons have demonstrated the off-axis localization of the current drive, its magnitude and location dependence on the launched n|| spectrum, and the use of LHCD during the current ramp to save volt-seconds and delay the peaking of the current profile. Broadening of the x-ray emission profile during ICRF heating indicates that the current drive location can be controlled by the electron temperature, as expected. In addition, an alteration in the plasma toroidal rotation profile during LHCD has been observed with a significant …
Date: November 20, 2009
Creator: R. Wilson, R. Parker, M. Bitter, P.T. Bonoli, C. Fiore, R.W. Harvey, K. Hill, A.E. Hubbard, J.W. Hughes, A. Ince-Cushman, C. Kessel, J.S. Ko, O. Meneghini, C.K. Phillips, M. Porkolab, J. Rice, A.E. Schmidt, S. Scott,S. Shiraiwa, E. Valeo, G.Wallace, J.C. Wright and the Alcator C-Mod Team
Object Type: Report
System: The UNT Digital Library
MHD-Stabilization of Axisymmetric Mirror Systems Using Pulsed ECRH (open access)

MHD-Stabilization of Axisymmetric Mirror Systems Using Pulsed ECRH

This paper, part of a continuing study of means for the stabilization of MHD interchange modes in axisymmertric mirror-based plasma confinement systems, is aimed at a preliminary look at a technique that would employ a train of plasma pressure pulses produced by ECRH to accomplish the stabilization. The purpose of using sequentially pulsed ECRH rather than continuous-wave ECRH is to facilitate the localization of the heated-electron plasma pulses in regions of the magnetic field with a strong positive field-line curvature, e. g. in the 'expander' region of the mirror magnetic field, outside the outermost mirror, or in other regions of the field with positive field-line curvature. The technique proposed, of the class known as 'dynamic stabilization,' relies on the time-averaged effect of plasma pressure pulses generated in regions of positive field-line curvature to overcome the destabilizing effect of plasma pressure in regions of negative field-line curvature within the confinement region. As will also be discussed in the paper, the plasma pulses, when produced in regions of the confining having a negative gradient, create transient electric potentials of ambipolar origin, an effect that was studied in 1964 in The PLEIDE experiment in France. These electric fields preserve the localization of the …
Date: November 20, 2009
Creator: Post, R F
Object Type: Article
System: The UNT Digital Library
A novel technique for the production of cool colored concrete tile and asphalt shingle roofing products (open access)

A novel technique for the production of cool colored concrete tile and asphalt shingle roofing products

The widespread use of solar-reflective roofing materials can save energy, mitigate urban heat islands and slow global warming by cooling the roughly 20% of the urban surface that is roofed. In this study we created prototype solar-reflective nonwhite concrete tile and asphalt shingle roofing materials using a two-layer spray coating process intended to maximize both solar reflectance and factory-line throughput. Each layer is a thin, quick-drying, pigmented latex paint based on either acrylic or a poly(vinylidene fluoride)/acrylic blend. The first layer is a titanium dioxide rutile white basecoat that increases the solar reflectance of a gray-cement concrete tile from 0.18 to 0.79, and that of a shingle surfaced with bare granules from 0.06 to 0.62. The second layer is a 'cool' color topcoat with weak near-infrared (NIR) absorption and/or strong NIR backscattering. Each layer dries within seconds, potentially allowing a factory line to pass first under the white spray, then under the color spray. We combined a white basecoat with monocolor topcoats in various shades of red, brown, green and blue to prepare 24 cool color prototype tiles and 24 cool color prototypes shingles. The solar reflectances of the tiles ranged from 0.26 (dark brown; CIELAB lightness value L* = …
Date: November 20, 2009
Creator: Levinson, Ronnen; Akbari, Hashem; Berdahl, Paul; Wood, Kurt; Skilton, Wayne & Petersheim, Jerry
Object Type: Article
System: The UNT Digital Library
Poroelastic measurement schemes resulting in complete data sets for granular and other anisotropic porous media (open access)

Poroelastic measurement schemes resulting in complete data sets for granular and other anisotropic porous media

Poroelastic analysis usually progresses from assumed knowledge of dry or drained porous media to the predicted behavior of fluid-saturated and undrained porous media. Unfortunately, the experimental situation is often incompatible with these assumptions, especially when field data (from hydrological or oil/gas reservoirs) are involved. The present work considers several different experimental scenarios typified by one in which a set of undrained poroelastic (stiffness) constants has been measured using either ultrasound or seismic wave analysis, while some or all of the dry or drained constants are normally unknown. Drained constants for such a poroelastic system can be deduced for isotropic systems from available data if a complete set of undrained compliance data for the principal stresses are available - together with a few other commonly measured quantities such as porosity, fluid bulk modulus, and grain bulk modulus. Similar results are also developed here for anisotropic systems having up to orthotropic symmetry if the system is granular (i.e., composed of solid grains assembled into a solid matrix, either by a cementation process or by applied stress) and the grains are known to be elastically homogeneous. Finally, the analysis is also fully developed for anisotropic systems with nonhomogeneous (more than one mineral type), …
Date: November 20, 2009
Creator: Berryman, J.G.
Object Type: Article
System: The UNT Digital Library
A Quick Guide to Wind Power Forecasting : State-Of-The-Art 2009. (open access)

A Quick Guide to Wind Power Forecasting : State-Of-The-Art 2009.

This document contains a summary of the main findings from our full report entitled 'Wind Power Forecasting: State-of-the-Art 2009'. The aims of this document are to provide guidelines and a quick overview of the current state-of-the-art in wind power forecasting (WPF) and to point out lines of research in the future development of forecasting systems.
Date: November 20, 2009
Creator: Monteiro, C.; Keko, H.; Bessa, R.; Miranda, V.; Botterud, A.; Wang, J. et al.
Object Type: Report
System: The UNT Digital Library
Response to Comment on "On Higher-Order Corrections to Gyrokinetic Vlasov-Poisson Equations in the Long Wavelength Limit [Phys. Plasmas 16, 044506 (2009)]" (open access)

Response to Comment on "On Higher-Order Corrections to Gyrokinetic Vlasov-Poisson Equations in the Long Wavelength Limit [Phys. Plasmas 16, 044506 (2009)]"

We show in this Response that the nonlinear Poisson's equation in our original paper derived from the drift kinetic approach can be verified by using the nonlinear gyrokinetic Poisson's equation of Dubin et al. [Phys. Fluids 26, 3524 (1983)]. This nonlinear contribution in φ2 is indeed of the order of k4⊥ in the long wavelength limit and remains finite for zero ion temperature, in contrast to the nonlinear term by Parra and Catto [Plasma Phys. Control. Fusion 50, 065014 (2008)], which is of the order of k2⊥ and diverges for Ti → 0. For comparison, the leading term for the gyrokinetic Poisson's equation in this limit is of the order of k2⊥φ,
Date: November 20, 2009
Creator: Lee, W. W. & Kolensnikov, R. A.
Object Type: Report
System: The UNT Digital Library
Trawsfynydd Plutonium Estimate (open access)

Trawsfynydd Plutonium Estimate

Report serves to document an estimate of the cumulative plutonium production of the Trawsfynydd Unit II reactor (Traws II) over its operating life made using the Graphite Isotope Ratio Method (GIRM). The estimate of the plutonium production in Traws II provided in this report has been generated under blind conditions. In other words, the estimate ofthe Traws II plutonium production has been generated without the knowledge of the plutonium production declared by the reactor operator (Nuclear Electric). The objective of this report is to demonstrate that the GIRM can be employed to serve as an accurate tool to verify weapons materials production declarations.
Date: November 20, 2009
Creator: Reid, Bruce D.; Gerlach, David C.; Heasler, Patrick G. & Livingston, J.
Object Type: Report
System: The UNT Digital Library
ULTRA-LOW-ENERGY HIGH-CURRENT ION SOURCE (open access)

ULTRA-LOW-ENERGY HIGH-CURRENT ION SOURCE

The technical objective of the project was to develop an ultra-low-energy, high-intensity ion source (ULEHIIS) for materials processing in high-technology fields including semiconductors, micro-magnetics and optics/opto-electronics. In its primary application, this ion source can be incorporated into the 4Wave thin-film deposition technique called biased target ion-beam deposition (BTIBD), which is a deposition technique based on sputtering (without magnetic field, i.e., not the typical magnetron sputtering). It is a technological challenge because the laws of space charge limited current (Child-Langmuir) set strict limits of how much current can be extracted from a reservoir of ions, such as a suitable discharge plasma. The solution to the problem was an innovative dual-discharge system without the use of extraction grids.
Date: November 20, 2009
Creator: Anders, Andre; Yushkov, Georgy Yu. & Baldwin, David A.
Object Type: Report
System: The UNT Digital Library
Using the Antenna Effect as a Spectroscopic Tool; Photophysics and Solution Thermodynamics of the Model Luminescent Hydroxypyridonate Complex [EuIII(3,4,3-LI(1,2-HOPO))]- (open access)

Using the Antenna Effect as a Spectroscopic Tool; Photophysics and Solution Thermodynamics of the Model Luminescent Hydroxypyridonate Complex [EuIII(3,4,3-LI(1,2-HOPO))]-

While widely used in bioassays, the spectrofluorimetric method described here uses the antenna effect as a tool to probe the thermodynamic parameters of ligands that sensitize lanthanide luminescence. The Eu3+ coordination chemistry, solution thermodynamic stability and photophysical properties of the spermine-based hydroxypyridonate octadentate chelator 3,4,3-LI(1,2-HOPO) are reported. The complex [EuIII(3,4,3-LI(1,2-HOPO))]- luminesces with a long lifetime (805 mu s) and a quantum yield of 7.0percent in aqueous solution, at pH 7.4. These remarkable optical properties were exploited to determine the high (and proton-independent) stability of the complex (log beta 110 = 20.2(2)) and to define the influence of the ligand scaffold on the stability and photophysical properties.
Date: November 20, 2009
Creator: Abergel, Rebecca J.; D'Aleo, Anthony; Ng Pak Leung, Clara; Shuh, David & Raymond, Kenneth
Object Type: Article
System: The UNT Digital Library
Wind Power Forecasting : State-Of-The-Art 2009. (open access)

Wind Power Forecasting : State-Of-The-Art 2009.

Many countries and regions are introducing policies aimed at reducing the environmental footprint from the energy sector and increasing the use of renewable energy. In the United States, a number of initiatives have been taken at the state level, from renewable portfolio standards (RPSs) and renewable energy certificates (RECs), to regional greenhouse gas emission control schemes. Within the U.S. Federal government, new energy and environmental policies and goals are also being crafted, and these are likely to increase the use of renewable energy substantially. The European Union is pursuing implementation of its ambitious 20/20/20 targets, which aim (by 2020) to reduce greenhouse gas emissions by 20% (as compared to 1990), increase the amount of renewable energy to 20% of the energy supply, and reduce the overall energy consumption by 20% through energy efficiency. With the current focus on energy and the environment, efficient integration of renewable energy into the electric power system is becoming increasingly important. In a recent report, the U.S. Department of Energy (DOE) describes a model-based scenario, in which wind energy provides 20% of the U.S. electricity demand in 2030. The report discusses a set of technical and economic challenges that have to be overcome for this …
Date: November 20, 2009
Creator: Monteiro, C.; Bessa, R.; Miranda, V.; Botterud, A.; Wang, J.; Conzelmann, G. et al.
Object Type: Report
System: The UNT Digital Library
Direct Photonic-Plasmonic Coupling and Routing in Single Nanowires (open access)

Direct Photonic-Plasmonic Coupling and Routing in Single Nanowires

Metallic nanoscale structures are capable of supporting surface plasmon polaritons (SPPs), propagating collective electron oscillations with tight spatial confinement at the metal surface. SPPs represent one of the most promising structures to beat the diffraction limit imposed by conventional dielectric optics. Ag nano wires have drawn increasing research attention due to 2D sub-100 nm mode confinement and lower losses as compared with fabricated metal structures. However, rational and versatile integration of Ag nanowires with other active and passive optical components, as well as Ag nanowire based optical routing networks, has yet to be achieved. Here, we demonstrate that SPPs can be excited simply by contacting a silver nanowire with a SnO2 nanoribbon that serves both as an unpolarized light source and a dielectric waveguide. The efficient coupling makes it possible to measure the propagation-distance-dependent waveguide spectra and frequency-dependent propagation length on a single Ag nanowire. Furthermore, we have demonstrated prototypical photonic-plasmonic routing devices, which are essential for incorporating low-loss Ag nanowire waveguides as practical components into high-capacity photonic circuits.
Date: October 20, 2009
Creator: Yan, Rouxue; Pausauskie, Peter; Huang, Jiaxing & Yang, Piedong
Object Type: Article
System: The UNT Digital Library
Direction-preserving and Schur-monotonic Semi-separable Approximations of Symmetric Positive Definite Matrices (open access)

Direction-preserving and Schur-monotonic Semi-separable Approximations of Symmetric Positive Definite Matrices

For a given symmetric positive definite matrix A {element_of} R{sup nxn}, we develop a fast and backward stable algorithm to approximate A by a symmetric positive-definite semi-separable matrix, accurate to any prescribed tolerance. In addition, this algorithm preserves the product, AZ, for a given matrix Z {element_of} R{sup nxd}, where d << n. Our algorithm guarantees the positive-definiteness of the semi-separable matrix by embedding an approximation strategy inside a Cholesky factorization procedure to ensure that the Schur complements during the Cholesky factorization all remain positive definite after approximation. It uses a robust direction-preserving approximation scheme to ensure the preservation of AZ. We present numerical experiments and discuss potential implications of our work.
Date: October 20, 2009
Creator: Gu, Ming; Li, Xiaoye Sherry & Vassilevski, Panayot S.
Object Type: Article
System: The UNT Digital Library
Effect of Temperature on the Protonation of the TALSPEAK Ligands: Lactic and Diethylenetrinitropentaacetic Acids (open access)

Effect of Temperature on the Protonation of the TALSPEAK Ligands: Lactic and Diethylenetrinitropentaacetic Acids

The protonation reactions of two ligands that play important roles in the TALSPEAK process for the separation of trivalent actinides from lanthanides, lactic acid and diethylenetrinitropentaacetic acid (DTPA), have been studied at variable temperatures. The protonation constants at 10-70 C were determined by titration potentiometry and the protonation enthalpies were determined at 25 C by titration microcalorimetry. The protonation constants remain essentially unchanged (25-70 C) within the experimental uncertainties, indicating that the effect of temperature on the protonation of lactate is insignificant. In contrast, the protonation constants of DTPA (log {beta}H's) generally decrease as the temperature is increased. Results from this study indicate that the effect of temperature on the protonation of DTPA could alter the speciation of metal ions (actinides and lanthanides) in the TALSPEAK system, since lower values of log{beta}H at higher temperatures suggest that the hydrogen ions would compete less strongly with the metal ions for the complexation of DTPA at higher temperatures.
Date: October 20, 2009
Creator: Tian, Guoxin & Rao, Linfeng
Object Type: Article
System: The UNT Digital Library
From Artificial Atoms to Nanocrystal Molecules: Preparation and Properties of More Complex Nanostructures (open access)

From Artificial Atoms to Nanocrystal Molecules: Preparation and Properties of More Complex Nanostructures

Quantum dots, which have found widespread use in fields such as biomedicine, photovoltaics, and electronics, are often called artificial atoms due to their size-dependent physical properties. Here this analogy is extended to consider artificial nanocrystal molecules, formed from well-defined groupings of plasmonically or electronically coupled single nanocrystals. Just as a hydrogen molecule has properties distinct from two uncoupled hydrogen atoms, a key feature of nanocrystal molecules is that they exhibit properties altered from those of the component nanoparticles due to coupling. The nature of the coupling between nanocrystal atoms and its response to vibrations and deformations of the nanocrystal molecule bonds are of particular interest. We discuss synthetic approaches, predicted and observed physical properties, and prospects and challenges toward this new class of materials.
Date: October 20, 2009
Creator: Choi, Charina L & Alivisatos, A. Paul
Object Type: Article
System: The UNT Digital Library