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At least 19 records

Self-consistent continuum random-phase approximation calculations with finite-range interactions

We present a technique that treats, without approximations, the continuum part of the excitation spectrum in random phase approximation calculations with finite-range interactions. The interaction used in Hartree-Fock calculations to generate the single-particle basis is also used in continuum random phase approximation calculations. We show results for electric dipole and quadrupole excitations in {sup 16}O, {sup 22}O, {sup 24}O, {sup 40}Ca, {sup 48}Ca, and {sup 52}Ca nuclei. We compare our results with those of the traditional discrete random phase approximation, with continuum independent-particle model results, and with results obtained by a phenomenological random phase approximation approach. We study the relevance of the continuum, of the residual interaction, and of the self-consistency. We also compare our results with the available total photoabsorption cross-section data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Observation of a two-neutron cascade from a resonance in {sup 24}O

A new resonance having a relative decay energy of {approx}0.6 MeV has been observed above the two-neutron separation energy in {sup 24}O at an excitation energy of {approx}7.5 MeV. The new level was found to directly feed the first excited state in {sup 23}O, an E=0.045(2)-MeV resonance, through the measurement of neutron-neutron correlations. Energy level comparisons with {sup 23}O suggest that this new level in {sup 24}O is dominated by an unpaired neutron in the {nu}0d{sub 3/2} single-particle orbital coupled to a single hole in the {nu}0d{sub 5/2} single-particle orbital. Establishment of this two-neutron discrimination technique provides a means for investigating high-lying excited states in neutron-rich nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Low-energy dipole excitations in neon isotopes and N=16 isotones within the quasiparticle random-phase approximation and the Gogny force

Low-energy dipole excitations in neon isotopes and N=16 isotones are calculated with a fully consistent axially-symmetric-deformed quasiparticle random phase approximation (QRPA) approach based on Hartree-Fock-Bogolyubov (HFB) states. The same Gogny D1S effective force has been used both in HFB and QRPA calculations. The microscopical structure of these low-lying resonances, as well as the behavior of proton and neutron transition densities, are investigated in order to determine the isoscalar or isovector nature of the excitations. It is found that the N=16 isotones {sup 24}O, {sup 26}Ne, {sup 28}Mg, and {sup 30}Si are characterized by a similar behavior. The occupation of the 2s{sub 1/2} neutron orbit turns out to be crucial, leading to nontrivial transition densities and to small but finite collectivity. Some low-lying dipole excitations of {sup 28}Ne and {sup 30}Ne, characterized by transitions involving the {nu}1d{sub 3/2} state, present a more collective behavior and isoscalar transition densities. A collective proton low-lying excitation is identified in the {sup 18}Ne nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effects of droplet interactions on droplet transport at intermediate Reynolds numbers

Effects of droplet interactions on drag, evaporation, and combustion of a planar droplet array, oriented perpendicular to the approaching flow, are studied numerically. The three-dimensional Navier-Stokes equations, with variable thermophysical properties, are solved using finite-difference techniques. Parameters investigated include the droplet spacing, droplet Reynolds number, approaching stream oxygen concentration, and fuel type. Results are obtained for the Reynolds number range of 5 to 100, droplet spacing from 2 to 24 diameters, oxygen concentrations of 0.1 and 0.2, and methanol and n-butanol fuels. The calculations show that the gasification rates of interacting droplets decrease as the droplet spacings decrease. The reduction in gasification rates is significant only at small spacings and low Reynolds numbers. For the present array orientation, the effects of interactions on the gasification rates diminish rapidly for Reynolds numbers greater than 10 and spacings greater than 6 droplet diameters. The effects of adjacent droplets on drag are shown to be small.

Shuen, J. S.↗

Effects of droplet interactions on droplet transport at intermediate Reynolds numbers

Effects of droplet interactions on drag, evaporation, and combustion of a planar droplet array, oriented perpendicular to the approaching flow, are studied numerically. The three-dimensional Navier-Stokes equations, with variable thermophysical properties, are solved using finite-difference techniques. Parameters investigated include the droplet spacing, droplet Reynolds number, approaching stream oxygen concentration, and fuel type. Results are obtained for the Reynolds number range of 5 to 100, droplet spacings from 2 to 24 diameters, oxygen concentrations of 0.1 and 0.2, and methanol and n-butanol fuels. The calculations show that the gasification rates of interacting droplets decrease as the droplet spacings decrease. The reduction in gasification rates is significant only at small spacings and low Reynolds numbers. For the present array orientation, the effects of interactions on the gasification rates diminish rapidly for Reynolds numbers greater than 10 and spacings greater than 6 droplet diameters. The effects of adjacent droplets on drag are shown to be small.

Shuen, Jian-Shun↗

Enhancing thermochemical energy storage density of magnesium‐manganese oxides

Abstract Three approaches for enhancing the energy density of magnesium‐manganese oxide porous reactive materials for thermochemical energy storage (TCES) are investigated: adjusting the mole ratio, lowering the oxygen partial pressure during thermal reduction, and transition metal oxide doping. The manganese‐to‐magnesium molar ratios are varied to determine the composition yielding maximal energy density. The increase in energy density by lowering the oxygen partial pressure during the reduction step is also studied. Volumetric oxygen exchange capacities are measured for every case considered. Finally, the effects of doping magnesium‐manganese oxide with cobalt oxide, iron oxide, zinc oxide, and nickel oxide on the TCES properties are examined. We found the optimal Mn/Mg ratio for maximum volumetric energy density is in the vicinity of 1/1, achieving 1813 ± 175, 2178 ± 204, and 2323 ± 281 MJ m −3 for oxygen partial pressures of 0.2, 0.05, and 0.01 atm during thermal reduction, respectively; lowering the oxygen partial pressure below atmospheric during thermal reduction enhances oxygen exchange capacities and improves the energy density between 10%‐42% and 24%‐55% for oxygen partial pressures of 0.05 and 0.01 atm, respectively, with the greatest increases observed for high manganese content samples; and, doped samples exhibit reduced oxygen exchange and questionable reactive stability, thus appearing to reduce energy density.

King, Keith↗

In Vivo Near-Infrared Spectroscopy and Magnetic Resonance Imaging Monitoring of Tumor Response to Combretastatin A-4-Phosphate Correlated With Therapeutic Outcome

Purpose: To develop a combination treatment consisting of combretastatin A-4-phosphate (CA4P) with radiation based on tumor oxygenation status. Methods and Materials: In vivo near-infrared spectroscopy (NIRS) and diffusion-weighted (DW) magnetic resonance imaging (MRI) were applied to noninvasively monitor changes in tumor blood oxygenation and necrosis induced by CA4P (30 mg/kg) in rat mammary 13762NF adenocarcinoma, and the evidence was used to optimize combinations of CA4P and radiation treatment (a single dose of 5 Gy). Results: NIRS showed decreasing concentrations of tumor vascular oxyhemoglobin and total hemoglobin during the first 2 h after CA4P treatment, indicating significant reductions in tumor blood oxygenation and perfusion levels (p < 0.001). Twenty-four hours later, in response to oxygen inhalation, significant recovery was observed in tumor vascular and tissue oxygenation according to NIRS and pimonidazole staining results, respectively (p < 0.05). DW MRI revealed significantly increased water diffusion in tumors measured by apparent diffusion coefficient at 24 h (p < 0.05), suggesting that CA4P-induced central necrosis. In concordance with the observed tumor oxygen dynamics, we found that treatment efficacy depended on the timing of the combined therapy. The most significant delay in tumor growth was seen in the group of tumors treated with radiation while the rats breathed oxygen 24 h after CA4P administration. Conclusions: Noninvasive evaluation of tumor oxygen dynamics allowed us to rationally enhance the response of syngeneic rat breast tumors to combined treatment of CA4P with radiation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Workshop on Oxygen in the Terrestrial Planets

This volume contains abstracts that have been accepted for presentation at the Workshop on Oxygen in the Terrestrial Planets, July 20-23,2004, Santa Fe, New Mexico. The contents include: 1) Experimental Constraints on Oxygen and Other Light Element Partitioning During Planetary Core Formation; 2) In Situ Determination of Fe(3+)/SigmaFe of Spinels by Electron Microprobe: An Evaluation of the Flank Method; 3) The Effect of Oxygen Fugacity on Large-Strain Deformation and Recrystallization of Olivine; 4) Plagioclase-Liquid Trace Element Oxygen Barometry and Oxygen Behaviour in Closed and Open System Magmatic Processes; 5) Core Formation in the Earth: Constraints from Ni and Co; 6) Oxygen Isotopic Compositions of the Terrestrial Planets; 7) The Effect of Oxygen Fugacity on Electrical Conduction of Olivine and Implications for Earth s Mantle; 8) Redox Chemical Diffusion in Silicate Melts: The Impact of the Semiconductor Condition; 9) Ultra-High Temperature Effects in Earth s Magma Ocean: Pt and W Partitioning; 10) Terrestrial Oxygen and Hydrogen Isotope Variations: Primordial Values, Systematics, Subsolidus Effects, Planetary Comparisons, and the Role of Water; 11) Redox State of the Moon s Interior; 12) How did the Terrestrial Planets Acquire Their Water?; 13) Molecular Oxygen Mixing Ratio and Its Seasonal Variability in the Martian Atmosphere; 14) Exchange Between the Atmosphere and the Regolith of Mars: Discussion of Oxygen and Sulfur Isotope Evidence; 15) Oxygen and Hydrogen Isotope Systematics of Atmospheric Water Vapor and Meteoric Waters: Evidence from North Texas; 16) Implications of Isotopic and Redox Heterogeneities in Silicate Reservoirs on Mars; 17) Oxygen Isotopic Variation of the Terrestrial Planets; 18) Redox Exchanges in Hydrous Magma; 19) Hydrothermal Systems on Terrestrial Planets: Lessons from Earth; 20) Oxygen in Martian Meteorites: A Review of Results from Mineral Equilibria Oxybarometers; 21) Non-Linear Fractionation of Oxygen Isotopes Implanted in Lunar Metal Grains: Solar, Lunar or Terrestrial Origin? 22) Isotopic Zoning in the Inner Solar System; 23) Redox Conditions on Small Bodies; 24) Determining the Oxygen Fugacity of Lunar Pyroclastic Glasses Using Vanadium Valence - An Update; 25) Mantle Redox Evolution and the Rise of Atmospheric O2; 26) Variation of Kd for Fe-Mg Exchange Between Olivine and Melt for Compositions Ranging from Alkaline Basalt to Rhyolite; 27) Determining the Partial Pressure of Oxygen (PO,) in Solutions on Mars; 28) The Influence of Oxygen Environment on Kinetic Properties of Silicate Rocks and Minerals; 29) Redox Evolution of Magmatic Systems; 30) The Constancy of Upper Mantlefo, Through Time Inferred from V/Sc Ratios in Basalts: Implications for the Rise in Atmospheric 0 2; 31) Nitrogen Solubility in Basaltic Melt. Effects of Oxygen Fugacity, Melt Composition and Gas Speciation; 32) Oxygen Isotope Anomalies in the Atmospheres of Earth and Mars; 33) The Effect of Oxygen Fugacity on Interdiffusion of Iron and Magnesium in Magnesiowiistite 34) The Calibration of the Pyroxene Eu-Oxybarometer for the Martian Meteorites; 35) The Europium Oxybarometer: Power and Pitfalls; 36) Oxygen Fugacity of the Martian Mantle from PigeoniteMelt Partitioning of Samarium, Europium and Gadolinium; 37) Oxidation-Reduction Processes on the Moon: Experimental Verification of Graphite Oxidation in the Apollo 17 Orange Glasses; 38) Oxygen and Core Formation in the Earth; 39) Geologic Record of the Atmospheric Sulfur Chemistry Before the Oxygenation of the Early Earth s Atmosphere; 40) Comparative Planetary Mineralogy: V/(CrCAl) Systematics in Chromite as an Indicator of Relative Oxygen Fugacity; 41) How Well do Sulfur Isotopes Constrain Oxygen Abundance in the Ancient Atmospheres? 42) Experimental Constraints on the Oxygen Isotope (O-18/ O-16) Fractionation in the Ice vapor and Adsorbant vapor Systems of CO2 at Conditions Relevant to the Surface of Mars; 43) Micro-XANES Measurements on Experimental Spinels andhe Oxidation State of Vanadium in Spinel-Melt Pairs; 44) Testing the Magma Ocean Hypothesis Using Metal-Silicate Partitioning of Te, Se and S; 45) Solubility of Oxygen in Liquid Iron at High Pressure and Consequences for the Early Differentiation of Earth and Mars Metallic Liquid Segregation in Planetesimals; 46) Oxygen Fugacity of Lunar Basalts and the Lunar Mantle. Range of fo2 and the Effectiveness of Oxybarometers; 47) Thermodynamic Study of Dissociation Processes of Molecular Oxygen in Vapor over Oxide Compounds; 48) Oxygen Profile of a Thermo-Haliophilic Community in the Badwater Salt Flat; 49) Oxygen Barometry Using Synchrotron MicroXANES of Vanadium; 50) Mass-Independent Isotopic Fractionation of Sulfur from Sulfides in the Huronian Supergroup, Canada; 51) Mass Independent Isotopes and Applications to Planetary Atmospheres; 52) Electrical Conductivity, Oxygen Fugacity, and Mantle Materials; 53) Crustal Evolution and Maturation on Earth: Oxygen Isotope Evidence; 54) The Oxygen Isotope Composition of the Moon: Implications for Planet Formation; 55) Oxygen Isotope Composition of Eucrites and Implications for the Formation of Crust on the HED Parent Body; and 56) The Role of Water in Determining the Oxygen Isotopic Composition of Planets.

Source record↗

Oxygen-Atom Defects In 6H Silicon Carbide Implanted Using 24- MeV O{sup 3+} Ions Measured Using Three-Dimensional Positron Annihilation Spectroscopy System (3DPASS)

Three dimensional electron-positron (e{sup -}-e{sup +}) momentum distributions were measured for single crystal 6H silicon carbide (SiC); both virgin and having implanted oxygen-atom defects. 6H SiC samples were irradiated by 24- MeV O{sup 3+} ions at 20 particle-nanoamps at the Sandia National Laboratory's Ion Beam Facility. O{sup 3+} ions were implanted 10.8 {mu}m deep normal to the (0001) face of one side of the SiC samples. During positron annihilation measurements, the opposite face of the 254.0-{mu}m thick SiC samples was exposed to positrons from a {sup 22}Na source. This technique reduced the influence on the momentum measurements of vacancy-type defects resulting from knock-on damage by the O{sup 3+} ions. A three-dimensional positron annihilation spectroscopy system (3DPASS) was used to measure e{sup -}-e{sup +} momentum distributions for virgin and irradiated 6H SiC crystal both before and following annealing. 3DPASS simultaneously measures coincident Doppler-broadening (DBAR) and angular correlation of annihilation radiation (ACAR) spectra. DBAR ratio plots and 2D ACAR spectra are presented. Changes in the momentum anisotropies relative to crystal orientation observed in 2D ACAR spectra for annealed O-implanted SiC agree with the local structure of defect distortion predicted using Surface Integrated Molecular Orbital/Molecular Mechanics (SIMOMM). Oxygen atoms insert between Si and C atoms increasing their separation by 0.9 A forming a Si-O-C bond angle of {approx}150 deg.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cycles in metabolism and heat loss

Using calorimetric techniques, subjects' metabolism, thermoregulation, and body temperatures were monitored continuously for 24-hour days, using three types of experimental routines. A water cooling garment (WCG) was used for direct calorimetry, while partitional calorimetry was used to establish a non-suited comparison for one of the routines. In this replicated routine, called the quiet day, the subjects were sedentary throughout the daytime hours and slept normally at night. Results indicate that the WCG may act to reduce 24-hour total oxygen consumption (VO2) or heat production, possibly due to the lowered energy cost of thermoregulation.

Annis, J. F.↗

Cellular structure of lean hydrogen flames in microgravity

Detailed, time-dependent, two-dimensional numerical simulations of premixed laminar flames have been used to study the initiation and subsequent development of cellular structures in lean hydrogen-air flames. The model includes detailed hydrogen-oxygen combustion with 24 elementary reactions of eight reactive species and a nitrogen diluent, molecular diffusion of all species, thermal conduction, viscosity, and convection. This model has been used to study the nonlinear evolution of cellular flame structure and shows that cell splitting, as observed in experiments, can be predicted numerically for sufficiently reactive mixtures. The structures that evolved also resembled the cellular structures observed in experiments. The present study shows that the 'cell-split limit' postulated from experimental observations is an intrinsic property of the mixture and that external factors such as heat losses are not necessary to cause this limit.

Patnaik, G.↗

Active Co-Storage of Cryogenic Propellants for Lunar Explortation

Long-term storage of cryogenic propellants is a critical requirement for NASA's effort to return to the moon. Liquid hydrogen and liquid oxygen provide the highest specific impulse of any practical chemical propulsion system, and thus provides the greatest payload mass per unit of launch mass. Future manned missions will require vehicles with the flexibility to remain in orbit for months, necessitating long-term storage of these cryogenic liquids. For decades cryogenic scientific satellites have used dual cryogens with different temperatures to cool instruments. This technology utilizes a higher temperature cryogen to provide a stage that efficiently intercepts a large fraction of the heat that would otherwise be incident on the lower temperature cryogen. This interception reduces the boil-off of the lower temperature cryogen and increasing the overall life-time of the mission. The Active Co-Storage concept is implemented similarly; the 101 K liquid oxygen thermally shields the 24 K liquid hydrogen. A thermal radiation shield that is linked to the liquid oxygen tank shrouds the liquid hydrogen tank, thereby preventing the liquid hydrogen tank from being directly exposed to the 300 K external environment. Modern cryocooler technology can eliminate the liquid oxygen boil-off and also cool the thermal radiation shield thereby reducing the liquid hydrogen boil-off to a small fraction of the unshielded rate. The thermal radiation shield can be a simple conductive shroud or a more sophisticated but lighter Broad Area Cooling (BAC) shroud. The paper describes the design impact of an active co-storage system for the Altair Descent Vehicle. This paper also compares the spacecraft-level impacts of the conductive shroud and the BAC shroud active co-storage concepts with a passive storage option in the context of the different scales of spacecraft that will be used for the lunar exploration effort - the Altair Ascent and Descent Vehicles, the Orion, and the Ares V Earth Departure Stage. The paper also reports on a subscale test of this active co-storage configuration. The test tank is 0.7 m in diameter, approximately one-third the dimension of tanks that would be needed in a lunar ascent module. A thin-walled fiberglass skirt supports and isolates the tank from a 100 K stage. A similar thin-walled skirt supports the lOOK stage from the ambient temperature structure. An aluminum shield with a heavy MLI blanket surrounds the tank and is attached at the 100 K stage. In this initial phase of the project, there is no tank on the 100 K stage, but it is actively cooled by a single-stage cryocooler similar in design to the one used on the RHESSI mission. The test configuration includes a number of innovative elements, including a helical support heat exchanger and an external thermodynamic vent/heat interception system. To avoid the complexity of an explosive gas handling system, testing will be done with liquid helium and liquid neon as simulant fluids. The properties of these fluids bracket the properties of liquid hydrogen. Instrumentation allows tank temperature and shield temperature profiles, tank liquid levels, and pressure drops through the flow lines, to be measured.

Mustafi, S.↗

Temperature Trends in Coal Char Combustion under Oxy-fuel Conditions for the Determination of Kinetics

Oxy-fuel combustion technology with carbon capture and storage could significantly reduce global CO 2 emissions, a greenhouse gas. Implementation can be aided by computational fluid dynamics (CFD) simulations, which require an accurate understanding of coal particle kinetics as they go through combustion in a range of environments. To understand the kinetics of pulverized coal char combustion, a heated flow reactor was operated under a wide range of experimental conditions. We varied the environment for combustion by modifying the diluent gas, oxygen concentration, gas flow rate, and temperature of the reactor/reacting gases. Measurements of reacting particle temperatures were made for a sub-bituminous and bituminous coal char, in environments with CO 2 or N 2 as the diluent gas, with 12, 24, and 36 vol-% oxygen concentration, at 50, 80, 100, and 200 standard liters per minute flowing through the reactor, reactor temperatures of 1200, 1400 K, at pressures slightly above atmospheric. The data shows consistent increasing particle temperature with increased oxygen concentration, reactor temperature and higher particle temperatures for N 2 diluent than CO 2 . We also see the effects of CO 2 gasification when different ranks of coal are used, and how the reduction in the temperature due to the CO 2 diluent is greater for the coal char that has higher reactivity. Quantitative measurements for temperature are not yet complete due to ongoing calibration of detection systems.

01 COAL, LIGNITE, AND PEAT↗

Singlet Fission: Optimization of Chromophore Dimer Geometry

After a brief review of electronic aspects of singlet fission, we describe a systematic simplification of the frontier orbital (HOMO/LUMO) model of singlet fission and Davydov splitting in a pair of rigid molecules. In both instances, the model includes electron configurations representing local singlet excitation on either chromophore, charge transfer in either direction, and triplet excitation in both chromophores (biexciton). The resulting equations are simple enough to permit complete searches for local extrema of the square of the electronic matrix element and to evaluate the effect of intermolecular interactions on the exoergicity of singlet fission and on the biexciton binding energy in the six-dimensional space of rigid dimer geometries. The procedure is illustrated on results for the six best geometries for dimers of ethylene and of an indigoid heterocycle with 24 carbon, nitrogen, and oxygen atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrastructural changes in tracheal epithelial cells exposed to oxygen

White albino rats were sacrificed after 24, 36, 48, 72, and 96 h of exposure to 100% O2 at 1 atm. Tissue was prepared for the scanning electron microscope (SEM) by Critical Point Drying and for the transmission electron microscope (TEM) by plastic embedding. Scanning microscopy showed a loss of microvilli after 48 h of exposure. Cilia appeared relatively normal with SEM, but TEM revealed changes in the outer membrane. In TEM, nonciliated cells appeared swollen and often encroached on the ciliated cells. A heavy mucous blanket remained even after processing. All the changes observed that are induced by oxygen exposure contribute to mucostasis, reducing and/or halting mucociliary clearance.

Philpott, D. E.↗

Oxygen-depleted zones inside reproductive structures of Brassicaceae: implications for oxygen control of seed development

Growth of Arabidopsis thaliana (L.) Heynh. in decreasing oxygen partial pressures revealed a linear decrease in seed production below 15 kPa, with a complete absence of seed production at 2.5 kPa oxygen. This control of plant reproduction by oxygen had previously been attributed to an oxygen effect on the partitioning between vegetative and reproductive growth. However, plants grown in a series of decreasing oxygen concentrations produced progressively smaller embryos that had stopped developing at progressively younger stages, suggesting instead that their growth is limited by oxygen. Internal oxygen concentrations of buds, pistils, and developing siliques of Brassica rapa L. and siliques of Arabidopsis were measured using a small-diameter glass electrode that was moved into the structures using a micromanipulator. Oxygen partial pressures were found to be lowest in the developing perianth (11.1 kPa) and pistils (15.2 kPa) of the unopened buds. Pollination reduced oxygen concentration inside the pistils by 3 kPa after just 24 h. Inside Brassica silique locules, partial pressures of oxygen averaged 12.2 kPa in darkness, and increased linearly with increasing light levels to 16.2 kPa. Measurements inside Arabidopsis siliques averaged 6.1 kPa in the dark and rose to 12.2 kPa with light. Hypoxia in these microenvironments is postulated to be the point of control of plant reproduction by oxygen.

Non-NASA Center↗