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Electrodeposition of U and Pu on Thin C and Ti Substrates (open access)

Electrodeposition of U and Pu on Thin C and Ti Substrates

Physics experiments aimed at deducing key parameters for use in a variety of programs critical to the mission of the National Laboratories require actinide targets placed onto various substrates. The target material quantity and the substrate desired depend upon the type of experiment being designed. The physicist(s) responsible for the experimental campaign will consult with the radiochemistry staff as to the feasibility of producing a desired target/substrate combination. In this report they discuss the production of U and Pu targets on very thin C and Ti substrates. The techniques used, plating cells designed for, tips, and limits is discussed.
Date: May 19, 2010
Creator: Henderson, R. A. & Gostic, J. M.
System: The UNT Digital Library
Comparative Gamma Spectroscopy with SrI2(Eu), GYGAG(Ce) and Bi-loaded Plastic Scintillators (open access)

Comparative Gamma Spectroscopy with SrI2(Eu), GYGAG(Ce) and Bi-loaded Plastic Scintillators

We are developing new scintillator materials that offer potential for high resolution gamma ray spectroscopy at low cost. Single crystal SrI{sub 2}(Eu) offers {approx}3% resolution at 662 keV, in sizes of {approx}1 in{sup 3}. We have developed ceramics processing technology allowing us to achieve cubic inch scale transparent ceramic scintillators offering gamma spectroscopy performance superior to NaI(Tl). We fabricated a bismuth-loaded plastic scintillator that demonstrates energy resolution of {approx}8% at 662 keV in small sizes. Gamma ray spectroscopy can be used to identify the presence of weak radioactive sources within natural background. The ability to discriminate close-lying spectral lines is strongly dependent upon the energy resolution of the detector. In addition to excellent energy resolution, large volume detectors are needed to acquire sufficient events, for example, to identify a radioactive anomaly moving past a detector. We have employed a 'directed search' methodology for identifying potential scintillator materials candidates, resulting in the discovery of Europium-doped Strontium Iodide, SrI{sub 2}(Eu), Cerium-doped Gadolinium Garnet, GYGAG(Ce), and Bismuth-loaded Polymers. These scintillators possess very low self-radioactivity, offer energy resolution of 3-8% at 662 keV, and have potential to be grown cost-effectively to sizes similar to the most widely deployed gamma spectroscopy scintillator, Thallium-doped Sodium Iodide, …
Date: November 19, 2010
Creator: Cherepy, N J
System: The UNT Digital Library
Role of Water States on Water Uptake and Proton Transport in Nafion using Molecular Simulations and Bimodal Network (open access)

Role of Water States on Water Uptake and Proton Transport in Nafion using Molecular Simulations and Bimodal Network

Using molecular simulations and a bimodal domain network, the role of water state on Nafion water uptake and water and proton transport is investigated. Although the smaller domains provide moderate transport pathways, their effectiveness remains low due to strong, resistive water molecules/domain surface interactions. The water occupancy of the larger domains yields bulk-like water, and causes the observed transition in the water uptake and significant increases in transport properties.
Date: November 19, 2010
Creator: Michigan, U.; Hwang, Gi Suk; Kaviany, Massoud; Gostick, Jeffrey T.; Kientiz, Brian; Weber, Adam Z. et al.
System: The UNT Digital Library
Complete Calculation of Evaluated Maxwellian-Averaged Cross Sections and Their Uncertainties for S-Process Nucleosynthesis (open access)

Complete Calculation of Evaluated Maxwellian-Averaged Cross Sections and Their Uncertainties for S-Process Nucleosynthesis

Present contribution represents a significant improvement of our previous calculation of Maxwellian-averaged cross sections and astrophysical reaction rates. Addition of newly-evaluated neutron reaction libraries, such as ROSFOND and Low-Fidelity Covariance Project, and improvements in data processing techniques allowed us to extend it for entire range of sprocess nuclei, calculate Maxwellian-averaged cross section uncertainties for the first time, and provide additional insights on all currently available neutron-induced reaction data. Nuclear reaction calculations using ENDF libraries and current Java technologies will be discussed and new results will be presented.
Date: July 19, 2010
Creator: Pritychenko, B.
System: The UNT Digital Library
1-D Van der Waals Foams Heated by Ion Beam Energy Deposition (open access)

1-D Van der Waals Foams Heated by Ion Beam Energy Deposition

One dimensional simulations of various initial average density aluminum foams (modeled as slabs of solid metal separated by low density regions) heated by volumetric energy deposition are conducted with a Lagrangian hydrodynamics code using a van der Waals equation of state (EOS). The resulting behavior is studied to facilitate the design of future warm dense matter (WDM) experiments at LBNL. In the simulations the energy deposition ranges from 10 to 30 kJ/g and from 0.075 to 4.0 ns total pulse length, resulting in temperatures from approximately 1 to 4 eV. We study peak pressures and temperatures in the foams, expansion velocity, and the phase evolution. Five relevant time scales in the problem are identified. Additionally, we present a method for characterizing the level of inhomogeneity in a foam target as it is heated and the time it takes for a foam to homogenize.
Date: March 19, 2010
Creator: Zylstra, A; Barnard, J J & More, R M
System: The UNT Digital Library
Topological Field Theory of Time-Reversal Invariant Insulators (open access)

Topological Field Theory of Time-Reversal Invariant Insulators

We show that the fundamental time reversal invariant (TRI) insulator exists in 4 + 1 dimensions, where the effective field theory is described by the 4 + 1 dimensional Chern-Simons theory and the topological properties of the electronic structure is classified by the second Chern number. These topological properties are the natural generalizations of the time reversal breaking (TRB) quantum Hall insulator in 2 + 1 dimensions. The TRI quantum spin Hall insulator in 2 + 1 dimensions and the topological insulator in 3 + 1 dimension can be obtained as descendants from the fundamental TRI insulator in 4 + 1 dimensions through a dimensional reduction procedure. The effective topological field theory, and the Z{sub 2} topological classification for the TRI insulators in 2+1 and 3+1 dimensions are naturally obtained from this procedure. All physically measurable topological response functions of the TRI insulators are completely described by the effective topological field theory. Our effective topological field theory predicts a number of novel and measurable phenomena, the most striking of which is the topological magneto-electric effect, where an electric field generates a magnetic field in the same direction, with an universal constant of proportionality quantized in odd multiples of the fine …
Date: March 19, 2010
Creator: Qi, Xiao-Liang; Hughes, Taylor & Zhang, Shou-Cheng
System: The UNT Digital Library
THE POSITIVE IMPACTS OF AMERICAN REINVESTMENT AND RECOVERY ACT (ARRA) FUNDING TO THE WASTE MANAGEMENT PROGRAM ON HANFORD'S PLATEAU REMEDIATION PROJECT (open access)

THE POSITIVE IMPACTS OF AMERICAN REINVESTMENT AND RECOVERY ACT (ARRA) FUNDING TO THE WASTE MANAGEMENT PROGRAM ON HANFORD'S PLATEAU REMEDIATION PROJECT

In April 2009, the Department of Energy (DOE) Richland Operations Office (RL) was allocated $1.6 billion (B) in ARRA funding to be applied to cleanup projects at the Hanford Site. DOE-RL selected projects to receive ARRA funding based on 3-criteria: creating/saving jobs, reducing the footprint of the Hanford Site, and reducing life-cycle costs for cleanup. They further selected projects that were currently covered under regulatory documents and existing prime contracts, which allowed work to proceed quickly. CH2M HILL Plateau Remediation Company (CHPRC) is a prime contractor to the DOE focused on the environmental cleanup of the DOE Hanford Site Central Plateau. CHPRC was slated to receive $1.36B in ARRA funding. As of January, 2010, CHPRC has awarded over $200 million (M) in subcontracts (64% to small businesses), created more that 1,100 jobs, and touched more than 2,300 lives - all in support of long-term objectives for remediation of the Central Plateau, on or ahead of schedule. ARRA funding is being used to accelerate and augment cleanup activities already underway under the baseline Plateau Remediation Contract (PRC). This paper details challenges and accomplishments using ARRA funding to meet DOE-RL objectives of creating/saving jobs, expediting cleanup, and reducing lifecycle costs for cleanup …
Date: January 19, 2010
Creator: LT, BLACKFORD
System: The UNT Digital Library
Quantum Anomalous Hall Effect in Hg_1-yMn_yTe Quantum Wells (open access)

Quantum Anomalous Hall Effect in Hg_1-yMn_yTe Quantum Wells

The quantum Hall effect is usually observed when the two-dimensional electron gas is subjected to an external magnetic field, so that their quantum states form Landau levels. In this work we predict that a new phenomenon, the quantum anomalous Hall effect, can be realized in Hg{sub 1-y}Mn{sub y}Te quantum wells, without the external magnetic field and the associated Landau levels. This effect arises purely from the spin polarization of the Mn atoms, and the quantized Hall conductance is predicted for a range of quantum well thickness and the concentration of the Mn atoms. This effect enables dissipationless charge current in spintronics devices.
Date: March 19, 2010
Creator: Liu, Chao-Xing; Qi, Xiao-Liang; Dai, Xi; Fang, Zhong & Zhang, Shou-Cheng
System: The UNT Digital Library
Intrinsic Spin Hall Effect Induced by Quantum Phase Transition in HgCdTe Quantum Wells (open access)

Intrinsic Spin Hall Effect Induced by Quantum Phase Transition in HgCdTe Quantum Wells

Spin Hall effect can be induced both by the extrinsic impurity scattering and by the intrinsic spin-orbit coupling in the electronic structure. The HgTe/CdTe quantum well has a quantum phase transition where the electronic structure changes from normal to inverted. We show that the intrinsic spin Hall effect of the conduction band vanishes on the normal side, while it is finite on the inverted side. This difference gives a direct mechanism to experimentally distinguish the intrinsic spin Hall effect from the extrinsic one.
Date: March 19, 2010
Creator: Yang, Wen; Chang, Kai & Zhang, Shou-Cheng
System: The UNT Digital Library
Spin Charge Separation in the Quantum Spin Hall State (open access)

Spin Charge Separation in the Quantum Spin Hall State

The quantum spin Hall state is a topologically non-trivial insulator state protected by the time reversal symmetry. We show that such a state always leads to spin-charge separation in the presence of a {pi} flux. Our result is generally valid for any interacting system. We present a proposal to experimentally observe the phenomenon of spin-charge separation in the recently discovered quantum spin Hall system.
Date: March 19, 2010
Creator: Qi, Xiao-Liang; Zhang, Shou-Cheng & /Stanford U., Phys. Dept.
System: The UNT Digital Library
The degree of 5f electron localization in URu2Si2: electron energy-loss spectroscopy and spin-orbit sum rule analysis (open access)

The degree of 5f electron localization in URu2Si2: electron energy-loss spectroscopy and spin-orbit sum rule analysis

We examine the degree of 5f electron localization in URu{sub 2}Si{sub 2} using spin-orbit sum rule analysis of the U N{sub 4,5} (4d {yields} 5f) edge. When compared to {alpha}-U metal, US, USe, and UTe, which have increasing localization of the 5f states, we find that the 5f states of URu{sub 2}Si{sub 2} are more localized, although not entirely. Spin-orbit analysis shows that intermediate coupling is the correct angular momentum coupling mechanism for URu{sub 2}Si{sub 2} when the 5f electron count is between 2.6 and 2.8. These results have direct ramifications for theoretical assessment of the hidden order state of URu{sub 2}Si{sub 2}, where the degree of localization of the 5f electrons and their contribution to the Fermi surface are critical.
Date: May 19, 2010
Creator: Jeffries, J R; Moore, K T; Butch, N P & Maple, M B
System: The UNT Digital Library
Rnnotator: an automated de novo transcriptome assembly pipeline from stranded RNA-Seq reads (open access)

Rnnotator: an automated de novo transcriptome assembly pipeline from stranded RNA-Seq reads

Background: Comprehensive annotation and quantification of transcriptomes are outstanding problems in functional genomics. While high throughput mRNA sequencing (RNA-Seq) has emerged as a powerful tool for addressing these problems, its success is dependent upon the availability and quality of reference genome sequences, thus limiting the organisms to which it can be applied. Results: Here, we describe Rnnotator, an automated software pipeline that generates transcript models by de novo assembly of RNA-Seq data without the need for a reference genome. We have applied the Rnnotator assembly pipeline to two yeast transcriptomes and compared the results to the reference gene catalogs of these organisms. The contigs produced by Rnnotator are highly accurate (95percent) and reconstruct full-length genes for the majority of the existing gene models (54.3percent). Furthermore, our analyses revealed many novel transcribed regions that are absent from well annotated genomes, suggesting Rnnotator serves as a complementary approach to analysis based on a reference genome for comprehensive transcriptomics. Conclusions: These results demonstrate that the Rnnotator pipeline is able to reconstruct full-length transcripts in the absence of a complete reference genome.
Date: November 19, 2010
Creator: Martin, Jeffrey; Bruno, Vincent M.; Fang, Zhide; Meng, Xiandong; Blow, Matthew; Zhang, Tao et al.
System: The UNT Digital Library
A Geochemical and Sedimentary Record of High Southern Latitude Holocene Climate Evolution from Lago Fagnano, Tierra del Fuego (open access)

A Geochemical and Sedimentary Record of High Southern Latitude Holocene Climate Evolution from Lago Fagnano, Tierra del Fuego

Situated at the southern margin of the hemispheric westerly wind belt and immediately north of the Antarctic Polar Frontal zone, Tierra del Fuego is well-positioned to monitor coupled changes in the ocean-atmosphere system of the high southern latitudes. Here we describe a Holocene paleoclimate record from sediment cores obtained from Lago Fagnano, a large lake in southern Tierra del Fuego at 55{sup o}S, to investigate past changes in climate related to these two important features of the global climate system. We use an AMS radiocarbon chronology for the last 8,000 years based on pollen concentrates, thereby avoiding contamination from bedrock-derived lignite. Our chronology is consistent with a tephrochronologic age date for deposits from the middle Holocene Volcan Hudson eruption. Combining bulk organic isotopic ({delta}{sup 13}C and {delta}{sup 15}N) and elemental (C and N) parameters with physical sediment properties allow us to better understand sediment provenance and transport mechanisms and to interpret Holocene climate and tectonic change during the last 8,000 years. Co-variability and long-term trends in C/N ratio, carbon accumulation rate, and magnetic susceptibility reflect an overall Holocene increase in the delivery of terrestrial organic and lithogenic material to the deep eastern basin. We attribute this variability to westerly wind-derived …
Date: November 19, 2010
Creator: Moy, C M; Dunbar, R B; Guilderson, T P; Waldmann, N; Mucciarone, D A; Recasens, C et al.
System: The UNT Digital Library
Radiation in Particle Simulations (open access)

Radiation in Particle Simulations

Hot dense radiative (HDR) plasmas common to Inertial Confinement Fusion (ICF) and stellar interiors have high temperature (a few hundred eV to tens of keV), high density (tens to hundreds of g/cc) and high pressure (hundreds of megabars to thousands of gigabars). Typically, such plasmas undergo collisional, radiative, atomic and possibly thermonuclear processes. In order to describe HDR plasmas, computational physicists in ICF and astrophysics use atomic-scale microphysical models implemented in various simulation codes. Experimental validation of the models used to describe HDR plasmas are difficult to perform. Direct Numerical Simulation (DNS) of the many-body interactions of plasmas is a promising approach to model validation but, previous work either relies on the collisionless approximation or ignores radiation. We present four methods that attempt a new numerical simulation technique to address a currently unsolved problem: the extension of molecular dynamics to collisional plasmas including emission and absorption of radiation. The first method applies the Lienard-Weichert solution of Maxwell's equations for a classical particle whose motion is assumed to be known. The second method expands the electromagnetic field in normal modes (planewaves in a box with periodic boundary-conditions) and solves the equation for wave amplitudes coupled to the particle motion. The third …
Date: November 19, 2010
Creator: More, R; Graziani, F; Glosli, J & Surh, M
System: The UNT Digital Library
Measurements of the Ion Species of Cathodic Arc Plasma in an Axial Magnetic Field (open access)

Measurements of the Ion Species of Cathodic Arc Plasma in an Axial Magnetic Field

Metal and gas ion species and their charge state distributions were measured for pulsed copper cathodic arcs in argon background gas in the presence of an axial magnetic field. It was found that changing the cathode position relative to anode and ion extraction system as well as increasing the gas pressure did not much affect the arc burning voltage and the related power dissipation. However, the burning voltage and power dissipation greatly increased as the magnetic field strength was increased. The fraction of metal ions and the mean ion charge state were reduced as the discharge length was increased. The observations can be explained by the combination of charge exchange collisions and electron impact ionization. They confirm that previously published data on characteristic material-dependent charge state distributions (e.g., Anders and Yushkov, J. Appl. Phys., Vol. 91, pp. 4824-4832, 2002) are not universal but valid for high vacuum conditions and the specifics of the applied magnetic fields.
Date: October 19, 2010
Creator: Oks, Efim & Anders, Andre
System: The UNT Digital Library
Simulations for experimental study of warm dense matter and inertial fusion energy applications on NDCX-II (open access)

Simulations for experimental study of warm dense matter and inertial fusion energy applications on NDCX-II

The Neutralized Drift Compression Experiment II (NDCX II) is an induction accelerator planned for initial commissioning in 2012. The final design calls for a {approx}3 MeV, {approx}30 A Li{sup +} ion beam, delivered in a bunch with characteristic pulse duration of 1 ns, and transverse dimension of order 1 mm. The purpose of NDCX II is to carry out experimental studies of material in the warm dense matter regime, and ion beam/hydrodynamic coupling experiments relevant to heavy ion based inertial fusion energy. In preparation for this new machine, we have carried out hydrodynamic simulations of ion-beam-heated, metallic solid targets, connecting quantities related to observables, such as brightness temperature and expansion velocity at the critical frequency, with the simulated fluid density, temperature, and velocity. We examine how these quantities depend on two commonly used equations of state.
Date: March 19, 2010
Creator: Barnard, J. J.; Armijo, J.; Bieniosek, F. M.; Friedman, A.; Hay, M. J.; Henestroza, E. et al.
System: The UNT Digital Library
Toroidally resolved structure of heat flux in RMP H-mode discharges on DIII-D (open access)

Toroidally resolved structure of heat flux in RMP H-mode discharges on DIII-D

None
Date: May 19, 2010
Creator: Jakubowski, M. W.; Evans, T. E.; Fenstermacher, M. E.; Lasnier, C. J.; Schmitz, O.; Wolf, R. C. et al.
System: The UNT Digital Library
Low Dose Radiation-Induced Genome and Epigenome Instability Symposium and Epigenetic Mechanisms, DNA Repair, and Chromatin Symposium at the EMS 2008 Annual Meeting - October 2008 (open access)

Low Dose Radiation-Induced Genome and Epigenome Instability Symposium and Epigenetic Mechanisms, DNA Repair, and Chromatin Symposium at the EMS 2008 Annual Meeting - October 2008

The Low Dose Radiation Symposium thoughtfully addressed ionizing radiation non-mutational but transmissable alterations in surviving cells. Deregulation of epigenetic processes has been strongly implicated in carcinogenesis, and there is increasing realization that a significant fraction of non-targeted and adaptive mechanisms in response to ionizing radiation are likely to be epigenetic in nature. Much remains to be learned about how chromatin and epigenetic regulators affect responses to low doses of radiation, and how low dose radiation impacts other epigenetic processes. The Epigenetic Mechanisms Symposium focused on on epigenetic mechanisms and their interplay with DNA repair and chromatin changes. Addressing the fact that the most well understood mediators of epigenetic regulation are histone modifications and DNA methylation. Low levels of radiation can lead to changes in the methylation status of certain gene promoters and the expression of DNA methyltransferases, However, epigenetic regulation can also involve changes in higher order chromosome structure.
Date: February 19, 2010
Creator: Morgan, William F.; Kovalchuk, Olga; Dolinoy, Dana C.; Dubrova, Yuri E.; Coleman, Matthew A.; Schär, Primo et al.
System: The UNT Digital Library
High-efficiency 5000 lines/mm multilayer-coated blazed grating for EUV wavelengths (open access)

High-efficiency 5000 lines/mm multilayer-coated blazed grating for EUV wavelengths

Volume x-ray gratings consisting of a multilayer coating deposited on a blazed substrate can diffract with very high efficiency even in high orders if diffraction conditions in-plane (grating) and out-of-plane (Bragg multilayer) are met simultaneously. This remarkable property however depends critically on the ability to create a structure with near atomic perfection. In this work we report on a method to produce these structures. We report measurements that show, for a 5000 l/mm grating diffracting in the 3rd order, a diffraction efficiency of 37.6percent at a wavelength of 13.6 nm, close to the theoretical maximum. This work now shows a direct route to achieving high diffraction efficiency in high order at wavelengths throughout the soft x-ray energy range.
Date: April 19, 2010
Creator: Voronov, Dmitriy; Ahn, Minseung; Anderson, Erik; Cambie, Rossana; Chang, Chih-Hao; Gullikson, Eric et al.
System: The UNT Digital Library
EFFECT OF PRETREATMENT ON PT-CO/C CATHODE CATALYSTS FOR THE OXYGEN-REDUCTION REACTION (open access)

EFFECT OF PRETREATMENT ON PT-CO/C CATHODE CATALYSTS FOR THE OXYGEN-REDUCTION REACTION

Carbon supported Pt and Pt-Co electrocatalysts for the oxygen reduction reaction in low temperature fuel cells were prepared by the reduction of the metal salts with sodium borohydride and sodium formate. The effect of surface treatment with nitric acid on the carbon surface and Co on the surface of carbon prior to the deposition of Pt was studied. The catalysts where Pt was deposited on treated carbon the ORR reaction preceded more through the two electron pathway and favored peroxide production, while the fresh carbon catalysts proceeded more through the four electron pathway to complete the oxygen reduction reaction. NaCOOH reduced Pt/C catalysts showed higher activity that NaBH{sub 4} reduced Pt/C catalysts. It was determined that the Co addition has a higher impact on catalyst activity and active surface area when used with NaBH{sub 4} as reducing agent as compared to NaCOOH.
Date: January 19, 2010
Creator: Fox, E. & Colon-Mercado, H.
System: The UNT Digital Library
Microtomography and pore-scale modeling of two-phase Fluid Distribution (open access)

Microtomography and pore-scale modeling of two-phase Fluid Distribution

Synchrotron-based X-ray microtomography (micro CT) at the Advanced Light Source (ALS) line 8.3.2 at the Lawrence Berkeley National Laboratory produces three-dimensional micron-scale-resolution digital images of the pore space of the reservoir rock along with the spacial distribution of the fluids. Pore-scale visualization of carbon dioxide flooding experiments performed at a reservoir pressure demonstrates that the injected gas fills some pores and pore clusters, and entirely bypasses the others. Using 3D digital images of the pore space as input data, the method of maximal inscribed spheres (MIS) predicts two-phase fluid distribution in capillary equilibrium. Verification against the tomography images shows a good agreement between the computed fluid distribution in the pores and the experimental data. The model-predicted capillary pressure curves and tomography-based porosimetry distributions compared favorably with the mercury injection data. Thus, micro CT in combination with modeling based on the MIS is a viable approach to study the pore-scale mechanisms of CO{sub 2} injection into an aquifer, as well as more general multi-phase flows.
Date: October 19, 2010
Creator: Silin, D.; Tomutsa, L.; Benson, S. & Patzek, T.
System: The UNT Digital Library
A Review of X-ray Diagnostic Calibrations in the 2 to 100 keV Region Using the High Energy X-ray Calibration Facility (HEX) (open access)

A Review of X-ray Diagnostic Calibrations in the 2 to 100 keV Region Using the High Energy X-ray Calibration Facility (HEX)

The precise and accurate measurement of X-rays in the 2 keV to 100 keV region is crucial to the understanding of HED plasmas and warm dense matter in general. With the emergence of inertially confined plasma facilities as the premier platforms for ICF, laboratory astrophysics, and national security related plasma experiments, the need to calibrate diagnostics in the high energy X-ray regime has grown. At National Security Technologies High Energy X-ray Calibration Facility (HEX) in Livermore, California, X-ray imagers, filter-fluorescer spectrometers, crystal spectrometers, image plates, and nuclear diagnostics are calibrated. The HEX can provide measurements of atomic line radiation, X-ray flux (accuracy within 10%), and X-ray energy (accuracy within 1%). The HEX source is comprised of a commercial 160 kV X-ray tube, a fluorescer wheel, a filter wheel, and a lead encasement. The X-ray tube produces a Tungsten bremsstrahlung spectrum which causes a foil to fluoresce line radiation. To minimize bremsstrahlung in the radiation for calibration we also provide various foils as filters. For experimental purposes, a vacuum box capable of 10{sup -7} Torr, as well as HPGe and CdTe radiation detectors, are provided on an optical table. Most geometries and arrangements can be changed to meet experimental needs.
Date: May 19, 2010
Creator: Ali, Zaheer; Pond, T.; Buckles, R. A.; Maddox, B. R.; Chen, C. D.; DeWald, E. L. et al.
System: The UNT Digital Library
Hybrid Orbital and Numerical Grid Representationfor Electronic Continuum Processes: Double Photoionization of Atomic Beryllium (open access)

Hybrid Orbital and Numerical Grid Representationfor Electronic Continuum Processes: Double Photoionization of Atomic Beryllium

A general approach for ab initio calculations of electronic continuum processes is described in which the many-electron wave function is expanded using a combination of orbitals at short range and the finite-element discrete variable representation(FEM-DVR) at larger distances. The orbital portion of the basis allows the efficient construction of many-electron configurations in which some of the electrons are bound, but because the orbitals are constructed from an underlying FEM-DVR grid, the calculation of two-electron integrals retains the efficiency of the primitive FEM-DVR approach. As an example, double photoionization of beryllium is treated in a calculation in which the 1s{sup 2} core is frozen. This approach extends the use of exterior complex scaling (ECS) successfully applied to helium and H{sub 2} to calculations with two active electrons on more complicated targets. Integrated, energy-differential and triply-differential cross sections are exhibited, and the results agree well with other theoretical investigations.
Date: April 19, 2010
Creator: Yip, Frank L; McCurdy, C. William & Rescigno, Thomas N
System: The UNT Digital Library
An Extension of Implicit Monte Carlo Diffusion: Multigroup and The Difference Formulation (open access)

An Extension of Implicit Monte Carlo Diffusion: Multigroup and The Difference Formulation

Implicit Monte Carlo (IMC) and Implicit Monte Carlo Diffusion (IMD) are approaches to the numerical solution of the equations of radiative transfer. IMD was previously derived and numerically tested on grey, or frequency-integrated problems. In this research, we extend Implicit Monte Carlo Diffusion (IMD) to account for frequency dependence, and we implement the difference formulation as a source manipulation variance reduction technique. We derive the relevant probability distributions and present the frequency dependent IMD algorithm, with and without the difference formulation. The IMD code with and without the difference formulation was tested using both grey and frequency dependent benchmark problems. The Su and Olson semi-analytic Marshak wave benchmark was used to demonstrate the validity of the code for grey problems. The Su and Olson semi-analytic picket fence benchmark was used for the frequency dependent problems. The frequency dependent IMD algorithm reproduces the results of both Su and Olson benchmark problems. Frequency group refinement studies indicate that the computational cost of refining the group structure is likely less than that of group refinement in deterministic solutions of the radiation diffusion methods. Our results show that applying the difference formulation to the IMD algorithm can result in an overall increase in the …
Date: April 19, 2010
Creator: Cleveland, M A; Gentile, N & Palmer, T S
System: The UNT Digital Library