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Studies of Background Levels for the NIF Yield Diagnostics from Neutron and Gamma Radiation (open access)

Studies of Background Levels for the NIF Yield Diagnostics from Neutron and Gamma Radiation

The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory (LLNL) is nearing completion of construction and is preparing for the National Ignition Campaign (NIC) with potentially significant yield in 2010. The design of a wide range of yield diagnostics in and outside the target-bay of the NIF must consider scattered background neutrons and neutron-induced gamma rays to measure neutrons and x-rays from target. The large and complex target chamber and facility make the calculation of scattered neutrons and gamma rays extremely challenging. The NIF was designed with shielded locations for many of the yield diagnostics including the neutron alcove and four diagnostic mezzanines. Accurate calculation of the background levels in these shielded locations requires advanced Monte Carlo techniques, e.g., variance reduction. Placement, size, and materials of collimators on the line of sight (LOS) through the shielding must be evaluated to trade off signal levels and unwanted backgrounds. The background at these locations is also affected by neutrons that pass through the laser beam tubes and scatter off of structures and walls in the switch yards. Detailed 3D Monte Carlo analyses are performed to determine neutron and gamma fluxes for some of the yield diagnostics.
Date: August 27, 2007
Creator: Song, P.; Eder, D.; Moran, M.; Landen, O.; O'Brien, D. & Hsing, W.
System: The UNT Digital Library
Modeling Dynamic Ductility: An Equation of State for Porous Metals (open access)

Modeling Dynamic Ductility: An Equation of State for Porous Metals

Enhanced heating from shock compression of a porous material can potentially suppress or delay cracking of the material on subsequent expansion. In this paper we quantify the expected enhanced heating in an experiment in which a sector of a thin cylindrical shell is driven from the inside surface by SEMTEX high explosive ({approx}1 {micro}s FWHM pressure pulse with peak pressure {approx}21.5 GPa). We first derive an analytical equation of state (EOS) for porous metals, then discuss the coupling of this EOS with material elastic-plastic response in a 2D hydrocode, and then discuss the modeling of the HE experiment with both fully dense and 10% porous Ta and a Bi/Ta composite. Finally, we compare our modeling with some recent experimental data.
Date: July 27, 2007
Creator: Colvin, J
System: The UNT Digital Library
DEMONSTRATION OF EQUIVALENCY OF CANE AND SOFTWOOD BASED CELOTEX FOR MODEL 9975 SHIPPING PACKAGES (open access)

DEMONSTRATION OF EQUIVALENCY OF CANE AND SOFTWOOD BASED CELOTEX FOR MODEL 9975 SHIPPING PACKAGES

Cane-based Celotex{trademark} has been used extensively in various Department of Energy (DOE) packages as a thermal insulator and impact absorber. Cane-based Celotex{trademark} fiberboard was only manufactured by Knight-Celotex Fiberboard at their Marrero Plant in Louisiana. However, Knight-Celotex Fiberboard shut down their Marrero Plant in early 2007 due to impacts from hurricane Katrina and other economic factors. Therefore, cane-based Celotex{trademark} fiberboard is no longer available for use in the manufacture of new shipping packages requiring the material as a component. Current consolidation plans for the DOE Complex require the procurement of several thousand new Model 9975 shipping packages requiring cane-based Celotex{trademark} fiberboard. Therefore, an alternative to cane-based Celotex{trademark} fiberboard is needed. Knight-Celotex currently manufactures Celotex{trademark} fiberboard from other cellulosic materials, such as hardwood and softwood. A review of the relevant literature has shown that softwood-based Celotex{trademark} meets all parameters important to the Model 9975 shipping package.
Date: May 27, 2008
Creator: Watkins, R & Jason Varble, J
System: The UNT Digital Library
GLASS FORMULATION DEVELOPMENT AND TESTING FOR COLD CRUCIBLE INDUCTION MELTER (CCIM) ADVANCED REMEDIATION TECHNOLOGIES DEMONSTRATION PROJECT - 9208 (open access)

GLASS FORMULATION DEVELOPMENT AND TESTING FOR COLD CRUCIBLE INDUCTION MELTER (CCIM) ADVANCED REMEDIATION TECHNOLOGIES DEMONSTRATION PROJECT - 9208

Over the past few years, Cold Crucible Induction Melter (CCIM) demonstrations have been completed using SRS sludge batches 2, 3 and 4 (SB2, SB3 and SB4) simulant compositions. These campaigns demonstrated the ability of the CCIM to effectively produce quality glasses at high waste loadings. The current Advanced Remediation Technology (ART) Phase II-A Project is aimed at demonstrating the CCIM technology under representative DWPF flowsheet conditions and to demonstrate extended operations of the melter. A glass composition development effort was completed to identify and recommend a frit composition and sludge batch 4 (SB4) simulant waste loading target for subsequent ART-Phase II-A CCIM demonstration testing. Based on the results of the glass formulation testing, it was recommended that the Frit 503-R6 composition (B{sub 2}O{sub 3} = 14 wt %; Li{sub 2}O = 9 wt %; Na{sub 2}O = 3 wt %; and SiO{sub 2} = 74 wt %) be utilized for the demonstration. Furthermore, a waste loading of 46 wt % was recommended. The recommended frit and waste loading would produce a glass with acceptable durability with a liquidus temperature adequately below the 1250 C nominal CCIM operating temperature. This frit composition and waste loading was found to result in a …
Date: August 27, 2008
Creator: Marra, J; Amanda Billings, A; David Peeler, D; Michael Stone, M & Tommy Edwards, T
System: The UNT Digital Library
The National Ignition Facility and the Golden Age of High Energy Density Science (open access)

The National Ignition Facility and the Golden Age of High Energy Density Science

The National Ignition Facility (NIF) is a 192-beam Nd:glass laser facility being constructed at the Lawrence Livermore National Laboratory (LLNL) to conduct research in inertial confinement fusion (ICF) and high energy density (HED) science. When completed, NIF will produce 1.8 MJ, 500 TW of ultraviolet light, making it the world's largest and highest-energy laser system. The NIF is poised to become the world's preeminent facility for conducting ICF and fusion energy research and for studying matter at extreme densities and temperatures.
Date: September 27, 2007
Creator: Meier, W; Moses, E I & Newton, M
System: The UNT Digital Library
A Steinberg-Guinan model for High-Pressure Carbon, Diamond Phase (open access)

A Steinberg-Guinan model for High-Pressure Carbon, Diamond Phase

Since the carbon, diamond phase has such a high yield strength, dynamic simulations must account for strength even for strong shock waves ({approx} 3 Mbar). We have determined an initial parametrization of two strength models: Steinberg-Guinan (SG) and a modified or improved SG, that captures the high pressure dependence of the calculated shear modulus up to 10 Mbar. The models are based upon available experimental data and on calculated elastic moduli using robust density functional theory. Additionally, we have evaluated these models using hydrodynamic simulations of planar shocks experiments.
Date: July 27, 2007
Creator: Orlikowski, D.; Correa, A.; Schwegler, E. & Klepeis, J.
System: The UNT Digital Library
Plans for Ignition Experiments on NIF (open access)

Plans for Ignition Experiments on NIF

The National Ignition Facility (NIF) is a 192-beam Nd-glass laser facility presently under construction at Lawrence Livermore National Laboratory (LLNL) in support of inertial confinement fusion (ICF) and high-energy-density (HED) science. NIF will produce 1.8 MJ, 500 TW of ultraviolet light, making it the world's largest and most powerful laser system. NIF will be the world's preeminent facility for the study of matter at extreme temperatures and densities and for producing and developing ICF. The ignition studies will be the next important step in developing inertial fusion energy.
Date: July 27, 2007
Creator: Moses, Edward
System: The UNT Digital Library
The Effect of Magnetic Field on the Position of HTS Leads and theCooler in the Services Tower of the MICE Focusing Magnet (open access)

The Effect of Magnetic Field on the Position of HTS Leads and theCooler in the Services Tower of the MICE Focusing Magnet

The MICE focusing solenoids have three 4 K coolers (two forthe superconducting magnet and one for the liquid absorber) and four HTSleads that feed the current to the focusing coils. The focusing solenoidsproduce large radial external fields when they operate with the polarityof the two coils in opposition (the gradient or flip mode). When the MICEfocusing coils operate at the same polarity (the solenoid or non-flipmode), the fields are much smaller and parallel to the axis of thesolenoid. The worst-case magnetic field affects the selection of thecooler and the HTS leads. This magnetic field can also determine theheight of the service towers that house the three coolers and the fourHTS leads. This paper shows the criteria used for Cooler selection, HTSlead selection, and the position of both the cooler and leads withrespect to the solenoid axis of rotation.
Date: August 27, 2007
Creator: Green, M. A.; Yang, S. Q.; Cobb, J.; Lau, P.; Lau, W. W.; Witte, H. et al.
System: The UNT Digital Library
Local Three-Nucleon Interaction from Chiral Effective Field Theory (open access)

Local Three-Nucleon Interaction from Chiral Effective Field Theory

None
Date: April 27, 2007
Creator: Navratil, P
System: The UNT Digital Library
Laser-plasma interaction in ignition relevant plasmas: benchmarking our 3D modelling capabilities versus recent experiments (open access)

Laser-plasma interaction in ignition relevant plasmas: benchmarking our 3D modelling capabilities versus recent experiments

We have developed a new target platform to study Laser Plasma Interaction in ignition-relevant condition at the Omega laser facility (LLE/Rochester)[1]. By shooting an interaction beam along the axis of a gas-filled hohlraum heated by up to 17 kJ of heater beam energy, we were able to create a millimeter-scale underdense uniform plasma at electron temperatures above 3 keV. Extensive Thomson scattering measurements allowed us to benchmark our hydrodynamic simulations performed with HYDRA [1]. As a result of this effort, we can use with much confidence these simulations as input parameters for our LPI simulation code pF3d [2]. In this paper, we show that by using accurate hydrodynamic profiles and full three-dimensional simulations including a realistic modeling of the laser intensity pattern generated by various smoothing options, fluid LPI theory reproduces the SBS thresholds and absolute reflectivity values and the absence of measurable SRS. This good agreement was made possible by the recent increase in computing power routinely available for such simulations.
Date: September 27, 2007
Creator: Divol, L; Froula, D H; Meezan, N; Berger, R; London, R A; Michel, P et al.
System: The UNT Digital Library
THE DOE OFFICE OF ENVIRONMENTAL MANAGEMENT INTERNATIONAL COOPERATIVE PROGRAM: CURRENT STATUS AND PLANS FOR EXPANSION (open access)

THE DOE OFFICE OF ENVIRONMENTAL MANAGEMENT INTERNATIONAL COOPERATIVE PROGRAM: CURRENT STATUS AND PLANS FOR EXPANSION

None
Date: August 27, 2008
Creator: Marra, J; Kevin Fox, K; David Peeler, D; Michael02 Smith, M; Tim Jannik, T & Eduardo Farfan, E
System: The UNT Digital Library
Combined low-temperature scanning tunneling/atomic force microscope for atomic resolution imaging and site-specific force spectroscopy (open access)

Combined low-temperature scanning tunneling/atomic force microscope for atomic resolution imaging and site-specific force spectroscopy

The authors present the design and first results of a low-temperature, ultrahigh vacuum scanning probe microscope enabling atomic resolution imaging in both scanning tunneling microscopy (STM) and noncontact atomic force microscopy (NC-AFM) modes. A tuning-fork-based sensor provides flexibility in selecting probe tip materials, which can be either metallic or nonmetallic. When choosing a conducting tip and sample, simultaneous STM/NC-AFM data acquisition is possible. Noticeable characteristics that distinguish this setup from similar systems providing simultaneous STM/NC-AFM capabilities are its combination of relative compactness (on-top bath cryostat needs no pit), in situ exchange of tip and sample at low temperatures, short turnaround times, modest helium consumption, and unrestricted access from dedicated flanges. The latter permits not only the optical surveillance of the tip during approach but also the direct deposition of molecules or atoms on either tip or sample while they remain cold. Atomic corrugations as low as 1 pm could successfully be resolved. In addition, lateral drifts rates of below 15 pm/h allow long-term data acquisition series and the recording of site-specific spectroscopy maps. Results obtained on Cu(111) and graphite illustrate the microscope's performance.
Date: February 27, 2008
Creator: Schwarz, Udo; Albers, Boris J.; Liebmann, Marcus; Schwendemann, Todd C.; Baykara, Mehmet Z.; Heyde, Markus et al.
System: The UNT Digital Library
Two Dimensional Simulations of Plastic-Shell, Direct-Drive Implosions on OMEGA (open access)

Two Dimensional Simulations of Plastic-Shell, Direct-Drive Implosions on OMEGA

Multidimensional hydrodynamic properties of high-adiabat direct-drive plastic-shell implosions on the OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] are investigated using the multidimensional hydrodynamic code, DRACO. Multimode simulations including the effects of nonuniform illumination and target roughness indicate that shell stability during the acceleration phase plays a critical role in determining target performance. For thick shells that remain integral during the acceleration phase, target yields are significantly reduced by the combination of the long-wavelength ({ell} < 10) modes due to surface roughness and beam imbalance and the intermediate modes (20 {le} {ell} {le} 50) due to single-beam nonuniformities. The neutron-production rate for these thick shells truncates relative to one-dimensional (1-D) predictions. The yield degradation in the thin shells is mainly due to shell breakup at short wavelengths ({lambda} {approx} {Delta}, where {Delta} is the in-flight shell thickness). The neutron-rate curves for the thinner shells have significantly lower amplitudes and a fall-off that is less steep than 1-D rates. DRACO simulation results are consistent with experimental observations.
Date: September 27, 2004
Creator: Radha, P. B.; Goncharov, V. N.; Collins, T. B.; Delettrez, J. A.; Elbaz, Y.; Glebov, V. Y. et al.
System: The UNT Digital Library
Turbulence-Flame Interactions in Type Ia Supernovae (open access)

Turbulence-Flame Interactions in Type Ia Supernovae

The large range of time and length scales involved in type Ia supernovae (SN Ia) requires the use of flame models. As a prelude to exploring various options for flame models, we consider, in this paper, high-resolution three-dimensional simulations of the small-scale dynamics of nuclear flames in the supernova environment in which the details of the flame structure are fully resolved. The range of densities examined, 1 to 8 x 107 g cm-3, spans the transition from the laminar flamelet regime to the distributed burning regime where small scale turbulence disrupts the flame. The use of a low Mach number algorithm facilitates the accurate resolution of the thermal structure of the flame and the inviscid turbulent kinetic energy cascade, while implicitly incorporating kinetic energy dissipation at the grid-scale cutoff. For an assumed background of isotropic Kolmogorov turbulence with an energy characteristic of SN Ia, we find a transition density between 1 and 3 x 107 g cm-3 where the nature of the burning changes ualitatively. By 1 x 107 g cm-3, energy diffusion by conduction and radiation is exceeded, on the flame scale, by turbulent advection. As a result, the effective Lewis Number approaches unity. That is, the flame resembles …
Date: May 27, 2008
Creator: Aspden, Andrew J.; Bell, John B.; Day, Marc S.; Woosley, Stan E. & Zingale, Mike
System: The UNT Digital Library
The Heavy-Ion Approximation for Ambipolar Diffusion Calcuations for Weakly Ionized Plasmas (open access)

The Heavy-Ion Approximation for Ambipolar Diffusion Calcuations for Weakly Ionized Plasmas

Ambipolar diffusion redistributes magnetic flux in weakly ionized plasmas and plays a critical role in star formation. Simulations of ambipolar diffusion using explicit MHD codes are prohibitively expensive for the level of ionization observed in molecular clouds ({approx}< 10{sup -6}) since an enormous number of time steps is required to represent the dynamics of the dominant neutral component with a time step determined by the trace ion component. Here we show that ambipolar diffusion calculations can be significantly accelerated by the 'heavy-ion approximation', in which the mass density of the ions is increased and the collisional coupling constant with the neutrals decreased such that the product remains constant. In this approximation, the ambipolar diffusion time and the ambipolar magnetic Reynolds number remain unchanged. We present three tests of the heavy-ion approximation: C-type shocks, the Wardle instability, and the 1D collapse of a magnetized slab. We show that this approximation is quite accurate provided that (1) the square of the Alfven Mach number is small compared to the ambipolar diffusion Reynolds number for dynamical problems, and that (2) the ion mass density is negligible for quasi-static problems; a specific criterion is given for the magnetized slab problem. The first condition can …
Date: July 27, 2006
Creator: Li, P; McKee, C & Klein, R
System: The UNT Digital Library
Studies of Potential Inhibitors of Sodium Aluminosilicate Scales in High-Level Waste Evaporation (open access)

Studies of Potential Inhibitors of Sodium Aluminosilicate Scales in High-Level Waste Evaporation

The Savannah River Site (SRS) has 49 underground storage tanks used to store High Level Waste (HLW). The tank space in these tanks must be managed to support the continued operation of key facilities. The reduction of the tank volumes in these tanks are accomplished through the use of three atmospheric pressure HLW evaporators. For a decade, evaporation of highly alkaline HLW containing aluminum and silicates has produced sodium aluminosilicate scales causing both operation and criticality hazards in the 2H Evaporator System. Segregation of aluminum-rich wastes from silicate-rich wastes minimizes the amount of scale produced and reduces cleaning expenses, but does not eliminate the scaling nor increases operation flexibility in waste process. Similar issues have affected the aluminum refining industry for many decades. Over the past several years, successful commercial products have been identified to eliminate aluminosilicate fouling in the aluminum industry, but have not been utilized in a nuclear environment. Laboratory quantities of three proprietary aluminosilicate scale inhibitors have been produced and been shown to prevent formation of scales. SRNL has been actively testing these potential inhibitors to examine their radiation stability, radiolytic degradation behaviors, and downstream impacts to determine their viability within the HLW system. One of the …
Date: February 27, 2008
Creator: Wilmarth, W. R.; Oji, L. N.; Fellinger, T. L.; Hobbs, D. T. & Badheka, N. P.
System: The UNT Digital Library
U-Sr isotopic speedometer: Fluid flow and chemical weatheringrates inaquifers (open access)

U-Sr isotopic speedometer: Fluid flow and chemical weatheringrates inaquifers

Both chemical weathering rates and fluid flow are difficultto measure in natural systems. However, these parameters are critical forunderstanding the hydrochemical evolution of aquifers, predicting thefate and transport of contaminants, and for water resources/water qualityconsiderations. 87Sr/86Sr and (234U/238U) activity ratios are sensitiveindicators of water-rock interaction, and thus provide a means ofquantifying both flow and reactivity. The 87Sr/86Sr values in groundwaters are controlled by the ratio of the dissolution rate to the flowrate. Similarly, the (234U/238U) ratio of natural ground waters is abalance between the flow rate and the dissolution of solids, andalpha-recoil loss of 234U from the solids. By coupling these two isotopesystems it is possible to constrain both the long-term (ca. 100's to1000's of years) flow rate and bulk dissolution rate along the flow path.Previous estimates of the ratio of the dissolution rate to theinfiltration flux from Sr isotopes (87Sr/86Sr) are combined with a modelfor (234U/238U) to constrain the infiltration flux and dissolution ratefor a 70-m deep vadose zone core from Hanford, Washington. The coupledmodel for both (234U/238U) ratios and the 87Sr/86Sr data suggests aninfiltration flux of 5+-2 mm/yr, and bulk silicate dissolution ratesbetween 10-15.7 and 10-16.5 mol/m2/s. The process of alpha-recoilenrichment, while primarily responsible for the observed variation …
Date: December 27, 2005
Creator: Maher, Kate; DePaolo, Donald J. & Christensen, John N.
System: The UNT Digital Library
SEMATECH EUV resist benchmarking results (open access)

SEMATECH EUV resist benchmarking results

Extreme Ultraviolet Lithography (EUVL) is one of the leading candidates for next generation lithography technology for the 32 nm HP and beyond. The availability of EUV resists is one of the most significant challenges facing its commercialization. To accelerate EUV resist development, SEMATECH provides access to two exposure tools: (1) The EUV Resist Test Center (RTC) at SEMATECH at the University at Albany, SUNY, NY; and (2) the SEMATECH microexposure tools (ALS-MET) at Lawrence Berkeley National Laboratory (LBNL).
Date: October 27, 2007
Creator: Ma, Andy; Park, Joo-On; Dean, Kim; Wurm, Stefan & Naulleau, Patrick
System: The UNT Digital Library
Reversible expansion of gallium-stabilized (delta)-plutonium (open access)

Reversible expansion of gallium-stabilized (delta)-plutonium

It is shown that the transient expansion of plutonium-gallium alloys observed both in the lattice parameter as well as in the dimension of a sample held at ambient temperature can be explained by assuming incipient precipitation of Pu{sub 3}Ga. However, this ordered {zeta}-phase is also subject to radiation-induced disordering. As a result, the gallium-stabilized {delta}-phase, being metastable at ambient temperature, is driven towards thermodynamic equilibrium by radiation-enhanced diffusion of gallium and at the same time reverted back to its metastable state by radiation-induced disordering. A steady state is reached in which only a modest fraction of the gallium present is arranged in ordered {zeta}-phase regions.
Date: February 27, 2006
Creator: Wolfer, W G; Oudot, B & Baclet, N
System: The UNT Digital Library
Analysis of Order Formation in Block Copolymer Thin Films UsingResonant Soft X-Ray Scattering (open access)

Analysis of Order Formation in Block Copolymer Thin Films UsingResonant Soft X-Ray Scattering

The lateral order of poly(styrene-block-isoprene) copolymer(PS-b-PI) thin films is characterized by the emerging technique ofresonant soft X-ray scattering (RSOXS) at the carbon K edge and comparedto ordering in bulk samples of the same materials measured usingconventional small-angle X-ray scattering. We show resonance using theoryand experiment that the loss of scattering intensity expected with adecrease in sample volume in the case of thin films can be overcome bytuning X-rays to the pi* resonance of PS or PI. Using RSOXS, we study themicrophase ordering of cylinder- and phere-forming PS-b-PI thin films andcompare these results to position space data obtained by atomic forcemicroscopy. Our ability to examine large sample areas (~;9000 mu m2) byRSOXS enables unambiguous identification of the lateral lattice structurein the thin films. In the case of the sphere-forming copolymer thin film,where the spheres are hexagonally arranged, the average sphere-to-spherespacing is between the bulk (body-centered cubic) nearest neighbor andbulk unit cell spacings. In the case of the cylinder-forming copolymerthin film, the cylinder-to-cylinder spacing is within experimental errorof that obtained in the bulk.
Date: November 27, 2006
Creator: Virgili, Justin M.; Tao, Yuefei; Kortright, Jeffrey B.; Balsara,Nitash P. & Segalman, Rachel A.
System: The UNT Digital Library
Nuclear Resonance Fluorescence Excitations Near 2 MeV in 235U and 239Pu (open access)

Nuclear Resonance Fluorescence Excitations Near 2 MeV in 235U and 239Pu

A search for nuclear resonance fluorescence excitations in {sup 235}U and {sup 239}Pu within the energy range of 1.0- to 2.5-MeV was performed using a 4-MeV continuous bremsstrahlung source at the High Voltage Research Laboratory at the Massachusetts Institute of Technology. Measurements utilizing high purity Ge detectors at backward angles identified 9 photopeaks in {sup 235}U and 12 photopeaks in {sup 239}Pu in this energy range. These resonances provide unique signatures that allow the materials to be non-intrusively detected in a variety of environments including fuel cells, waste drums, vehicles and containers. The presence and properties of these states may prove useful in understanding the mechanisms for mixing low-lying collective dipole excitations with other states at low excitations in heavy nuclei.
Date: December 27, 2006
Creator: Bertozzi, W.; Caggiano, J. A.; Hensley, W. K.; Johnson, M. S.; Korbly, S. E.; Ledoux, R. J. et al.
System: The UNT Digital Library
An Efficient Vector Finite Element Method for Nonlinear Electromagnetic Modeling (open access)

An Efficient Vector Finite Element Method for Nonlinear Electromagnetic Modeling

We have developed a mixed Vector Finite Element Method (VFEM) for Maxwell's equations with a nonlinear polarization term. The method allows for discretization of complicated geometries with arbitrary order representations of the B and E fields. In this paper we will describe the method and a series of optimizations that significantly reduce the computational cost. Additionally, a series of test simulations will be presented to validate the method. Finally, a nonlinear waveguide mode mixing example is presented and discussed.
Date: June 27, 2006
Creator: Fisher, A. C.; White, D. A. & Rodrigue, G. H.
System: The UNT Digital Library
Bin-Hash Indexing: A Parallel Method for Fast Query Processing (open access)

Bin-Hash Indexing: A Parallel Method for Fast Query Processing

This paper presents a new parallel indexing data structure for answering queries. The index, called Bin-Hash, offers extremely high levels of concurrency, and is therefore well-suited for the emerging commodity of parallel processors, such as multi-cores, cell processors, and general purpose graphics processing units (GPU). The Bin-Hash approach first bins the base data, and then partitions and separately stores the values in each bin as a perfect spatial hash table. To answer a query, we first determine whether or not a record satisfies the query conditions based on the bin boundaries. For the bins with records that can not be resolved, we examine the spatial hash tables. The procedures for examining the bin numbers and the spatial hash tables offer the maximum possible level of concurrency; all records are able to be evaluated by our procedure independently in parallel. Additionally, our Bin-Hash procedures access much smaller amounts of data than similar parallel methods, such as the projection index. This smaller data footprint is critical for certain parallel processors, like GPUs, where memory resources are limited. To demonstrate the effectiveness of Bin-Hash, we implement it on a GPU using the data-parallel programming language CUDA. The concurrency offered by the Bin-Hash index …
Date: June 27, 2008
Creator: Bethel, Edward W.; Gosink, Luke J.; Wu, Kesheng; Bethel, Edward Wes; Owens, John D. & Joy, Kenneth I.
System: The UNT Digital Library
Simple but Stronger UO, Double but Weaker UNMe Bonds: The Tale Told by Cp2UO and Cp2UNR (open access)

Simple but Stronger UO, Double but Weaker UNMe Bonds: The Tale Told by Cp2UO and Cp2UNR

The free energies of reaction and the activation energies are calculated, with DFT (B3PW91) and small RECP (relativistic core potential) for uranium, for the reaction of Cp2UNMe and Cp2UO with MeCCMe and H3Si-Cl that yields the corresponding addition products. CAS(2,7) and DFT calculations on Cp2UO and Cp2UNMe give similar results, which validates the use of DFT calculations in these cases. The calculated results mirror the experimental reaction of [1,2,4-(CMe3)3C5H2]2UNMe with dimethylacetylene and [1,2,4-(CMe3)3C5H2]2UO with Me3SiCl. The net reactions are controlled by the change in free energy between the products and reactants, not by the activation energies, and therefore by the nature of the UO and UNMe bonds in the initial and final states. A NBO analysis indicates that the U-O interaction in Cp2UO is composed of a single U-O bond with three lone pairs of electrons localized on oxygen, leading to a polarized U-O fragment. In contrast, the U-NMe interaction in Cp2UNMe is composed of a and component and a lone pairof electrons localized on the nitrogen, resulting in a less polarized UNMe fragment, in accord with the lower electronegativity of NMe relative to O. The strongly polarized U(+)-O(-) bond is calculated to be about 70 kcal mol-1 stronger than …
Date: June 27, 2007
Creator: LPCNO, CNRS-UPS-INSA, INSA Toulouse; Institut Charles Gerhardt, CNRS, Universite Montpellier; Laboratoire de Chimie et Physique Quantiques, CNRS, IRSAMC, Universite Paul Sabatier; Andersen, Richard; Barros, Noemi; Maynau, Daniel et al.
System: The UNT Digital Library