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Muconic acid production from methane using rationally-engineered methanotrophic biocatalysts (open access)

Muconic acid production from methane using rationally-engineered methanotrophic biocatalysts

Article demonstrates bioconversion of methane to muconic acid, a dicarboxylic acid that can be upgraded to an array of platform chemicals, by three gammaproteobacterial methanotrophs.
Date: November 25, 2019
Creator: Henard, Calvin A.; Akberdin, Ilya R.; Kalyuzhnaya, Marina G. & Guarnieri, Michael T.
System: The UNT Digital Library
Multi-fluid code simulations including anomalous non-diffusive transport of plasma and impurities in the tokamak SOL (open access)

Multi-fluid code simulations including anomalous non-diffusive transport of plasma and impurities in the tokamak SOL

Fast intermittent transport has been observed in the scrape-off layer (SOL) of major tokamaks including Alcator C-Mod, DIII-D, and NSTX. This kind of transport is not diffusive but rather convective. It strongly increases plasma flux to the chamber walls and enhances the recycling of neutral particles in the main chamber. We discuss anomalous cross-field convection (ACFC) model for impurity and main plasma ions and its relation to intermittent transport events, i.e. plasma density blobs and holes in the SOL. Along with plasma diffusivity coefficients, our transport model introduces time-independent anomalous cross-field convective velocity. In the discharge modelling, diffusivity coefficients and ACFC velocity profiles are adjusted to match a set of representative experimental data. We use this model in the edge plasma physics code UEDGE to simulate the multi-fluid two-dimensional transport for these three tokamaks. We present simulation results suggesting the dominance of anomalous convection in the far SOL transport. These results are consistent with the hypothesis that the chamber wall is an important source of impurities and that different impurity charge states have different directions of anomalous convective velocity.
Date: November 25, 2003
Creator: Pigarov, A. Yu; West, W. P.; Soukhanovskii, V.; Rognlien, T. D.; Maingi, R.; Lipschultz, B. et al.
System: The UNT Digital Library
Coherence Measurements of a Transient 14.7 nm X-ray Laser (open access)

Coherence Measurements of a Transient 14.7 nm X-ray Laser

We present the longitudinal coherence measurement of the transient inversion collisional x-ray laser for the first time. The Ni-like Pd x-ray laser at 14.68 nm is generated by the LLNL COMET laser facility and is operating in the gain-saturated regime. Interference fringes are produced using a Michelson interferometer setup in which a thin multilayer-coated membrane is used as a beam splitter. The longitudinal coherence length for the picosecond duration 4d{sup 1}S{sub 0} {yields} 4p{sup 1}P{sub 1} lasing transition is determined to be {approx}400 {micro}m (1/e HW) by adjusting the length of one interferometer arm and measuring the resultant variation in fringe visibility. This is four times improved coherence than previous measurements on quasi-steady state schemes largely as a result of the narrower line profile in the lower temperature plasma. The inferred gain-narrowed linewidth of {approx}0.29 pm is also substantially narrower than previous measurements on quasi-steady state x-ray laser schemes. This study shows that the coherence of the x-ray laser beam can be improved by changing the laser pumping conditions. The x-ray laser is operating at 4 - 5 times the transform-limited pulse.
Date: November 25, 2003
Creator: Remond, C; Dunn, J; Delmotte, F; Nilsen, J; Hubert, S; Ravet, M et al.
System: The UNT Digital Library
Full-Scale Cookoff Model Validation Experiments (open access)

Full-Scale Cookoff Model Validation Experiments

This paper presents the experimental results of the third and final phase of a cookoff model validation effort. In this phase of the work, two generic Heavy Wall Penetrators (HWP) were tested in two heating orientations. Temperature and strain gage data were collected over the entire test period. Predictions for time and temperature of reaction were made prior to release of the live data. Predictions were comparable to the measured values and were highly dependent on the established boundary conditions. Both HWP tests failed at a weld located near the aft closure of the device. More than 90 percent of unreacted explosive was recovered in the end heated experiment and less than 30 percent recovered in the side heated test.
Date: November 25, 2003
Creator: McClelland, M. A.; Rattanapote, M. K.; Heimdahl, E. R.; Erikson, W. E.; Curran, P. O. & Atwood, A. I.
System: The UNT Digital Library
Dislocation Image Stresses at Free Surfaces by the Finite Element Method (open access)

Dislocation Image Stresses at Free Surfaces by the Finite Element Method

The finite element method has been routinely used to calculate the image stresses of dislocation segments. When these segments intersect with surfaces, the image stresses at the surfaces diverges singularly. At the presence of these singularities, both convergence and accuracy of using the finite element method need to be examined critically. This article addresses these issues with the aim toward the application of dislocation dynamics simulations in thin films.
Date: November 25, 2003
Creator: Cai, W; Bulatov, V; Tang, M & Xu, G
System: The UNT Digital Library
Measurement of the absolute hohlraum wall albedo under ignition foot drive conditions (open access)

Measurement of the absolute hohlraum wall albedo under ignition foot drive conditions

We present the first measurements of the absolute albedos of hohlraums made from gold or from high-Z mixtures. The measurements are performed over the range of radiation temperatures (70-100 eV) expected during the foot of an indirect-drive temporally-shaped ignition laser pulse, where accurate knowledge of the wall albedo (i.e. soft x-ray wall re-emission) is most critical for determining capsule radiation symmetry. We find that the gold albedo agrees well with calculations using the super transition array opacity model, potentially providing additional margin for ICF ignition.
Date: November 25, 2003
Creator: Suter, L. J.; Wallace, R. J.; Hammel, B. A.; Weber, F. A.; Landen, O. L.; Campbell, K. M. et al.
System: The UNT Digital Library
Nanostructured Energetic Materials with Sol-Gel Methods (open access)

Nanostructured Energetic Materials with Sol-Gel Methods

The utilization of sol-gel chemical methodology to prepare nanostructured energetic materials as well as the concepts of nanoenergetics is described. The preparation and characterization of two totally different compositions is detailed. In one example, nanostructured aerogel and xerogel composites of sol-gel iron (III) oxide and ultra fine grained aluminum (UFG Al) are prepared, characterized, and compared to a conventional micron-sized Fe{sub 2}O{sub 3}/Al thermite. The exquisite degree of mixing and intimate nanostructuring of this material is illustrated using transmission and scanning electron microscopies (TEM and SEM). The nanocomposite material has markedly different energy release (burn rate) and thermal properties compared to the conventional composite, results of which will be discussed. Small-scale safety characterization was performed aerogels and xerogels of the nanostructured thermite. The second nanostructured energetic material consists of a nanostructured hydrocarbon resin fuel network with fine ammonium perchlorate (NH{sub 4}ClO{sub 4}) oxidizer present.
Date: November 25, 2003
Creator: Gash, A.; Satcher, J.; Simpson, R. & Clapsaddle, B.
System: The UNT Digital Library
Temporal Characterization of a Picosecond Laser-Pumped X-ray Laser (for Applications) (open access)

Temporal Characterization of a Picosecond Laser-Pumped X-ray Laser (for Applications)

Compact soft x-ray laser sources are now used routinely for various applications primarily because of their high repetition rate, high photon fluence and short pulse duration characteristics. For some of these applications, for example interferometry of high density laser-produced plasmas, longer optical drive pulses, 6-13 ps (FWHM), have been implemented to maximize the x-ray output and coherence. It is therefore important to know the x-ray laser pulse length, shape and repeatability for these specific experiments as a baseline measurement but also to better understand the temporal behavior as a function of the pumping conditions in general. We report a detailed temporal characterization of the picosecond-driven 14.7 nm Ni-like Pd ion x-ray laser on the Compact Multipulse Terawatt (COMET) laser at LLNL using an ultrafast x-ray streak camera measurement of a horizontal slice of the near-field x-ray laser pattern. This is measured as a function of the chirped pulse amplification pumping laser conditions, including varying the pump pulse from 0.5-27 ps (FWHM), varying the plasma column length as well as investigating traveling wave (TW) and non-TW irradiation conditions.
Date: November 25, 2003
Creator: Dunn, J; Nilsen, J; Shepherd, R; Shlyaptsev, V; Booth, R; Smith, R et al.
System: The UNT Digital Library
Electrochemical NO{sub x} Sensors for Automotive Diesel Exhaust (open access)

Electrochemical NO{sub x} Sensors for Automotive Diesel Exhaust

New emissions regulations will increase the need for compact, inexpensive sensors for monitoring and control of automotive exhaust gas pollutants. Species of interest include hydrocarbons, carbon monoxide, and oxides of nitrogen (NO{sub x}). The current work is directed towards the development of fast, high sensitivity electrochemical NO{sub x} sensors for automotive diesel applications. We have investigated potentiometric NO sensors with good sensitivity and fast response when operated in 10% O{sub 2}. The sensors consist of yttria-stabilized zirconia substrates attached with NiCr{sub 2}O{sub 4} sensing electrodes and Pt reference electrodes. A composite NiCr{sub 2}O{sub 4}:Rh sensing electrode is shown to give significantly faster response than NiCr{sub 2}O{sub 4} alone. The exact role of the Rh in enhancing the response speed is not clear at present. However, the Rh appears to accumulate at the contacts between the NiCr{sub 2}O{sub 4} particles and may enhance the inter-particle electronic conduction. Ongoing testing of these sensors is being performed to elucidate the sensing mechanisms and to quantify cross sensitivity to, for example, NO{sub 2}.
Date: November 25, 2002
Creator: Martin, L. P.; Pham, A. Q. & Glass, R. S.
System: The UNT Digital Library
Status of Safety& Environmental Activities for Inertial Fusion Energy (open access)

Status of Safety& Environmental Activities for Inertial Fusion Energy

Over the past several years, significant progress has been made in the analysis of safety and environmental (S&E) issues for inertial fusion energy (IFE). Detailed safety assessments have been performed for the baseline power plant concepts, as well as for a conceptual target fabrication facility. Safety analysis results are helping to drive the agenda for experiments. A survey of the S&E characteristics--both radiological and chemical--of candidate target materials has been completed. Accident initiating events have been identified and incorporated into master logic diagrams, which will be essential to the detailed safety analyses that will be needed in the future. Studies of aerosol generation and transport will have important safety implications. A Monte Carlo-based uncertainty analysis procedure has been developed for use in neutron activation calculations. Finally, waste management issues are receiving increased attention and are deserving of further discussion.
Date: November 25, 2002
Creator: Latkowski, J. F.; Reyes, S.; Cadwallader, L. C.; Sharpe, J. P.; Marshall, T. D.; Merrill, B. J. et al.
System: The UNT Digital Library
Electron-Impact Ionization Data for the Fe Isonuclear Sequence (open access)

Electron-Impact Ionization Data for the Fe Isonuclear Sequence

Atomic data for the electron-impact ionization of ions in the Fe isonuclear sequence is reviewed. The best available data are identified. Comments are made on current research activities leading to future data for Fe ions. 23 refs., 29 figs., 12 tabs.
Date: November 25, 1986
Creator: Pindzola, M. S.; Griffin, D. C.; Bottcher, C.; Younger, S. M. & Hunter, H. T.
System: The UNT Digital Library
Testing proton spin models with polarized beams (open access)

Testing proton spin models with polarized beams

We review models for spin-weighted parton distributions in a proton. Sum rules involving the nonsinglet components of the structure function xg{sub 1}{sup p} help narrow the range of parameters in these models. The contribution of the {gamma}{sub 5} anomaly term depends on the size of the integrated polarized gluon distribution and experimental predictions depend on its size. We have proposed three models for the polarized gluon distributions, whose range is considerable. These model distributions give an overall range is considerable. These model distributions give an overall range of parameters that can be tested with polarized beam experiments. These are discussed with regard to specific predictions for polarized beam experiments at energies typical of UNK.
Date: November 25, 1991
Creator: Ramsey, G.P. (Loyola Univ., Chicago, IL (United States). Dept. of Physics Argonne National Lab., IL (United States))
System: The UNT Digital Library
Fokker-Planck calculations of electron cyclotron resonant heating (ECRH) in mirror geometry (open access)

Fokker-Planck calculations of electron cyclotron resonant heating (ECRH) in mirror geometry

A time dependent, bounce-averaged Fokker-Planck code, with quasi-linear diffusion at fundamental and second harmonic frequencies, has been used to study cold plasma trapping and heating of hot electrons in mirror geometry. Both electron-electron and electron-ion Coulomb collisions are included. The code can model either cavity heating (electric field throughout cavity as in EBT) or beam controlled heating (electric field spatially restricted as in the TMX-Upgrade tandem mirror). The heating method has implications for the equilibrium energy and anisotropy of the hot electrons. In TMX-Upgrade, off-midplane heating at the second harmonic in the thermal barrier is planned as a means to control anisotropy (T/sub parallel//T/sub perpendicular/. By spatially limiting (limit in B) the microwave beam and with strong single-pass absorption, the mean hot electron energy may also be controlled since the heating rate decreases at high energy due to the relativistic mass shift of the resonance to higher magnetic field.
Date: November 25, 1981
Creator: Stallard, B. W.; Matsuda, Y. & Nevins, W. M.
System: The UNT Digital Library
Ovine model for studying pulmonary immune responses (open access)

Ovine model for studying pulmonary immune responses

Anatomical features of the sheep lung make it an excellent model for studying pulmonary immunity. Four specific lung segments were identified which drain exclusively to three separate lymph nodes. One of these segments, the dorsal basal segment of the right lung, is drained by the caudal mediastinal lymph node (CMLN). Cannulation of the efferent lymph duct of the CMLN along with highly localized intrabronchial instillation of antigen provides a functional unit with which to study factors involved in development of pulmonary immune responses. Following intrabronchial immunization there was an increased output of lymphoblasts and specific antibody-forming cells in efferent CMLN lymph. Continuous divergence of efferent lymph eliminated the serum antibody response but did not totally eliminate the appearance of specific antibody in fluid obtained by bronchoalveolar lavage. In these studies localized immunization of the right cranial lobe served as a control. Efferent lymphoblasts produced in response to intrabronchial antigen were labeled with /sup 125/I-iododeoxyuridine and their migrational patterns and tissue distribution compared to lymphoblasts obtained from the thoracic duct. The results indicated that pulmonary immunoblasts tend to relocate in lung tissue and reappear with a higher specific activity in pulmonary lymph than in thoracic duct lymph. The reverse was observed …
Date: November 25, 1984
Creator: Joel, D. D. & Chanana, A. D.
System: The UNT Digital Library
Estimates of post-acceleration longitudinal bunch compression (open access)

Estimates of post-acceleration longitudinal bunch compression

A simple analytic method is developed, based on physical approximations, for treating transient implosive longitudinal compression of bunches of heavy ions in an accelerator system for ignition of inertial-confinement fusion pellet targets. Parametric dependences of attainable compressions and of beam path lengths and times during compression are indicated for ramped pulsed-gap lines, rf systems in storage and accumulator rings, and composite systems, including sections of free drift. It appears that for high-confidence pellets in a plant producing 1000 MW of electric power the needed pulse lengths cannot be obtained with rings alone unless an unreasonably large number of them are used, independent of choice of rf harmonic number. In contrast, pulsed-gap lines alone can meet this need. The effects of an initial inward compressive drift and of longitudinal emittance are included.
Date: November 25, 1977
Creator: Judd, D.L.
System: The UNT Digital Library
Heats of vaporization of room temperature ionic liquids by tunable vacuum ultraviolet photoionization (open access)

Heats of vaporization of room temperature ionic liquids by tunable vacuum ultraviolet photoionization

The heats of vaporization of the room temperature ionic liquids (RTILs) N-butyl-N-methylpyrrolidinium bistrifluorosulfonylimide, N-butyl-N-methylpyrrolidinium dicyanamide, and 1-butyl-3-methylimidazolium dicyanamide are determined using a heated effusive vapor source in conjunction with single photon ionization by a tunable vacuum ultraviolet synchrotron source. The relative gas phase ionic liquid vapor densities in the effusive beam are monitored by clearly distinguished dissociative photoionization processes via a time-of-flight mass spectrometer at a tunable vacuum ultraviolet beamline 9.0.2.3 (Chemical Dynamics Beamline) at the Advanced Light Source synchrotron facility. Resulting in relatively few assumptions, through the analysis of both parent cations and fragment cations, the heat of vaporization of N-butyl-N-methylpyrrolidinium bistrifluorosulfonylimide is determined to be Delta Hvap(298.15 K) = 195+-19 kJ mol-1. The observed heats of vaporization of 1-butyl-3-methylimidazolium dicyanamide (Delta Hvap(298.15 K) = 174+-12 kJ mol-1) and N-butyl-N-methylpyrrolidinium dicyanamide (Delta Hvap(298.15 K) = 171+-12 kJ mol-1) are consistent with reported experimental values using electron impact ionization. The tunable vacuum ultraviolet source has enabled accurate measurement of photoion appearance energies. These appearance energies are in good agreement with MP2 calculations for dissociative photoionization of the ion pair. These experimental heats of vaporization, photoion appearance energies, and ab initio calculations corroborate vaporization of these RTILs as intact cation-anion ion …
Date: November 25, 2009
Creator: Chambreau, Steven D.; Vaghjiani, Ghanshyam L.; To, Albert; Koh, Christine; Strasser, Daniel; Kostko, Oleg et al.
System: The UNT Digital Library
Metabolic engineering of Saccharomyces cerevisiae for the production of n-butanol (open access)

Metabolic engineering of Saccharomyces cerevisiae for the production of n-butanol

BackgroundIncreasing energy costs and environmental concerns have motivated engineering microbes for the production of ?second generation? biofuels that have better properties than ethanol.Results& ConclusionsSaccharomyces cerevisiae was engineered with an n-butanol biosynthetic pathway, in which isozymes from a number of different organisms (S. cerevisiae, Escherichia coli, Clostridium beijerinckii, and Ralstonia eutropha) were substituted for the Clostridial enzymes and their effect on n-butanol production was compared. By choosing the appropriate isozymes, we were able to improve production of n-butanol ten-fold to 2.5 mg/L. The most productive strains harbored the C. beijerinckii 3-hydroxybutyryl-CoA dehydrogenase, which uses NADH as a co-factor, rather than the R. eutropha isozyme, which uses NADPH, and the acetoacetyl-CoA transferase from S. cerevisiae or E. coli rather than that from R. eutropha. Surprisingly, expression of the genes encoding the butyryl-CoA dehydrogenase from C. beijerinckii (bcd and etfAB) did not improve butanol production significantly as previously reported in E. coli. Using metabolite analysis, we were able to determine which steps in the n-butanol biosynthetic pathway were the most problematic and ripe for future improvement.
Date: November 25, 2008
Creator: Steen, EricJ.; Chan, Rossana; Prasad, Nilu; Myers, Samuel; Petzold, Christopher; Redding, Alyssa et al.
System: The UNT Digital Library
Membrane proteomics of phagosomes suggests a connection to autophagy (open access)

Membrane proteomics of phagosomes suggests a connection to autophagy

Phagocytosis is the central process by which macrophage cellsinternalize and eliminate infectious microbes as well as apoptoticcells. During maturation, phagosomes containing engulfed particlesfuse with various endosomal compartments through theaction of regulatory molecules on the phagosomal membrane. Inthis study, we performed a proteomic analysis of the membranefraction from latex bead-containing (LBC) phagosomes isolatedfrom macrophages. The profile, which comprised 546 proteins,suggests diverse functions of the phagosome and potential connectionsto secretory processes, toll-like receptor signaling, andautophagy. Many identified proteins were not previously knownto reside in the phagosome. We characterized several proteins inLBC phagosomes that change in abundance on induction of autophagy,a process that has been previously implicated in the hostdefense against microbial pathogens. These observations suggestcrosstalk between autophagy and phagocytosis that may be relevantto the innate immune response of macrophages.
Date: November 25, 2008
Creator: Shui, Wenqing; Sheu, Leslie; Liu, Jun; Smart, Brian; Petzold, Christopher J.; Hsieh, Tsung-yen et al.
System: The UNT Digital Library
Volume-selective magnetic resonance imaging using an adjustable, single-sided, portable sensor (open access)

Volume-selective magnetic resonance imaging using an adjustable, single-sided, portable sensor

Portable, single-sided NMR sensors can operate under conditions inaccessible to conventional NMR while featuring lower cost, portability, and the ability to analyze arbitrary-sized objects. Such sensors can nondestructively probe the interior of samples by collecting images and measuring relaxation and diffusion constants,and, given careful shimming schemes, even perform chemical analysis. The inherently strong magnetic-field gradients of single-sided sensors developed so far has prevented imaging of materials with high water content, such as biological tissues, over large volumes whereas designs with more homogeneous fields suffer from low field strength and typically cannot probe volumes larger than 10 cm3. We present a design with a continuously adjustable sensitive volume, enabling the effective volume to be enlarged several fold. This process allows for imaging in reasonable times of much bigger objects and opens the door to the possibility of clinical imaging with portable sensors. We demonstrate MRI in axial and saggital planes, at different depths of the sensitive volume and T1-weighted contrast in a tissue sample.
Date: November 25, 2008
Creator: Paulsen, Jeffrey L.; Bouchard, Louis S.; Graziani, Dominic; Blümich, Bernhard & Pines, Alexander
System: The UNT Digital Library
DEVELOPMENT OF A NON-NOBLE METAL HYDROGEN PURIFICATION SYSTEM (open access)

DEVELOPMENT OF A NON-NOBLE METAL HYDROGEN PURIFICATION SYSTEM

Development of advanced hydrogen separation membranes in support of hydrogen production processes such as coal gasification and as front end gas purifiers for fuel cell based system is paramount to the successful implementation of a national hydrogen economy. Current generation metallic hydrogen separation membranes are based on Pd-alloys. Although the technology has proven successful, at issue is the high cost of palladium. Evaluation of non-noble metal based dense metallic separation membranes is currently receiving national and international attention. The focus of the reported work was to develop a scaled reactor with a VNi-Ti alloy membrane to replace a production Pd-alloy tube-type purification/diffuser system.
Date: November 25, 2008
Creator: Korinko, P; Kyle Brinkman, K; Thad Adams, T & George Rawls, G
System: The UNT Digital Library
THE IMPACT OF PARTIAL CRYSTALLIZATION ON THE PERMEATION PROPERTIES BULK AMORPHOUS GLASS HYDROGEN SEPARATION MEMBRANES (open access)

THE IMPACT OF PARTIAL CRYSTALLIZATION ON THE PERMEATION PROPERTIES BULK AMORPHOUS GLASS HYDROGEN SEPARATION MEMBRANES

It is recognized that hydrogen separation membranes are a key component of the emerging hydrogen economy. A potentially exciting material for membrane separations are bulk metallic glass materials due to their low cost, high elastic toughness and resistance to hydrogen 'embrittlement' as compared to crystalline Pd-based membrane systems. However, at elevated temperatures and extended operation times structural changes including partial crystallinity may appear in these amorphous metallic systems. A systematic evaluation of the impact of partial crystallinity/devitrification on the diffusion and solubility behavior in multi-component Metallic Glass materials would provide great insight into the potential of these materials for hydrogen applications. This study will report on the development of time and temperature crystallization mapping and their use for interpretation of 'in-situ' hydrogen permeation at elevated temperatures.
Date: November 25, 2008
Creator: Brinkman, K; Paul Korinko, P; Thad Adams, T; Elise Fox, E & Arthur Jurgensen, A
System: The UNT Digital Library
DEMOLISHING A COLD-WAR-ERA FUEL STORAGE BASIN SUPERSTRUCTURE LADEN WITH ASBESTOS (open access)

DEMOLISHING A COLD-WAR-ERA FUEL STORAGE BASIN SUPERSTRUCTURE LADEN WITH ASBESTOS

The K East (KE) Basin facilities are located near the north end of the Hanford Site's 100 K area. The facilities were built in 1950 as part of the KE Reactor complex and constructed within 400 meters of the Columbia River, which is the largest river in the Pacific Northwest and by volume the fourth largest river in the United States. The basin, located adjacent to the reactor, was used for the underwater storage of irradiated nuclear fuel discharged from the reactor. The basin was covered by a superstructure comprising steel columns and beams, concrete, and cement asbestos board (CAB) siding. The project's mission was to complete demolition of the structure over the K East basin within six months of tumover from facility deactivation activities. The demolition project team implemented open-air demolition techniques to demolish the facility to slab-on-grade. Several innovative techniques were used to control contamination and maintain contamination control within the confines of the demolition exclusion zone. The techniques, which focused on a defense-in-depth approach, included spraying fixatives on interior and exterior surfaces before demolition began; applying fixatives; misting using a fine spray of water during demolition; and demolishing the facility systematically. Another innovation that aided demolition was …
Date: November 25, 2008
Creator: ER, LLOYD; TK, ORGILL & EB, DAGAN
System: The UNT Digital Library
Estimation of host rock thermal conductivities using thetemperature data from the drift-scale test at Yucca Mountain,Nevada (open access)

Estimation of host rock thermal conductivities using thetemperature data from the drift-scale test at Yucca Mountain,Nevada

A large volume of temperature data has been collected from a very large, underground heater test, the Drift Scale Test (DST) at Yucca Mountain, Nevada. The DST was designed to obtain thermal, hydrological, mechanical, and chemical (THMC) data in the unsaturated fractured rock of Yucca Mountain. Sophisticated numerical models have been developed to analyze the collected THMC data. In these analyses, thermal conductivities measured from core samples have been used as input parameters to the model. However, it was not known whether these core measurements represented the true field-scale thermal conductivity of the host rock. Realizing these difficulties, elaborate, computationally intensive geostatistical simulations have also been performed to obtain field-scale thermal conductivity of the host rock from the core measurements. In this paper, we use the temperature data from the DST as the input (instead of the measured core-scale thermal conductivity values) to develop an estimate of the field-scale thermal conductivity values. Assuming a conductive thermal regime, we develop an analytical solution for the temperature rise in the host rock of the DST; and using a nonlinear fitting routine, we obtain a best-fit estimate of field-scale thermal conductivity for the DST host rock. The temperature data collected from the DST …
Date: November 25, 2003
Creator: Mukhopadhyay, Sumitra & Tsang, Y. W.
System: The UNT Digital Library
Grid-based methods for diatomic quantum scattering problems: a finite-element, discrete variable representation in prolate spheroidal coordinates (open access)

Grid-based methods for diatomic quantum scattering problems: a finite-element, discrete variable representation in prolate spheroidal coordinates

We show how to combine finite elements and the discrete variable representation in prolate spheroidal coordinates to develop a grid-based approach for quantum mechanical studies involving diatomic molecular targets. Prolate spheroidal coordinates are a natural choice for diatomic systems and have been used previously in a variety of bound-state applications. The use of exterior complex scaling in the present implementation allows for a transparently simple way of enforcing Coulomb boundary conditions and therefore straightforward application to electronic continuum problems. Illustrative examples involving the bound and continuum states of H2+, as well as the calculation of photoionization cross sections, show that the speed and accuracy of the present approach offer distinct advantages over methods based on single-center expansions.
Date: November 25, 2008
Creator: Tao, Liang; McCurdy, C. W. & Rescigno, T. N.
System: The UNT Digital Library