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At least 289 records · Page 16

The Effect of Approximating Some Molecular Integrals in Coupled-Cluster Calculations: Fundamental Frequencies and Rovibrational Spectroscopic Constants of Cyclopropenylidene

The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), has been used, in conjunction with approximate integral techniques, to compute highly accurate rovibrational spectroscopic constants of cyclopropenylidene, C3H2. The approximate integral technique was proposed in 1994 by Rendell and Lee in order to avoid disk storage and input/output bottlenecks, and today it will also significantly aid in the development of algorithms for distributed memory, massively parallel computer architectures. It is shown in this study that use of approximate integrals does not impact the accuracy of CCSD(T) calculations. In addition, the most accurate spectroscopic data yet for C3H2 is presented based on a CCSD(T)/cc-pVQZ quartic force field that is modified to include the effects of core-valence electron correlation. Cyclopropenylidene is of great astronomical and astrobiological interest because it is the smallest aromatic ringed compound to be positively identified in the interstellar medium, and is thus involved in the prebiotic processing of carbon and hydrogen. The singles and doubles coupled-cluster method that includes a perturbational estimate of

Lee, Timothy J.↗

On the Discovery of CO Nighttime Emissions on Titan by Cassini/VIMS: Derived Stratospheric Abundances and Geological Implications

We present a quantitative analysis of CO thermal emissions discovered on the nightside of Titan by Baines et al. [2005. The atmospheres of Saturn and Titan in the near-infrared: First results of Cassini/VIMS. Earth, Moon, and Planets, 96, 119-147] in Cassini/VIMS spectral imagery. We identify these emission features as the P and R branches of the 1-0 vibrational band of carbon monoxide (CO) near 4.65 microns. For CH3D, the prominent Q branch of the nu(2) fundamental band of CH3D near 4.55 microns is apparent. CO2 emissions from the strong nu(3) vibrational band are virtually absent, indicating a CO2 abundance several orders of magnitude less than CO, in agreement with previous investigations. Analysis of CO emission spectra obtained over a variety of altitudes on Titan's nightside limb indicates that the stratospheric abundance of CO is 32 +/- 15 ppm, and together with other recent determinations, suggests a vertical distribution of CO nearly constant at this value from the surface throughout the troposphere to at least the stratopause near 300 km altitude. The corresponding total atmospheric content of CO in Titan is similar to 2.9 +/- 1.5 x 10(exp 14) kg. Given the long lifetime of CO in the oxygen-poor Titan atmosphere (similar to 0.5-1.0 Gyr), we find a mean CO atmospheric production rate of 6 +/- 3 x 10(exp 5) kg yr(exp -1). Given the lack of primordial heavy noble gases observed by Huygens [Niemann et al., 2005. The abundances of constituents of Titan's atmosphere from the GCMS on the Huygens probe. Nature, 438, 779-784], the primary source of atmospheric CO is likely surface emissions. The implied CO/CH4 mixing ratio of near-surface material is 1.8 +/- 0.9 x 10(exp -4), based on an average methane surface emission rate over the past 0.5 Gyr of 1.3 x 10(exp -13) gm cm(exp -2) s(exp -1) as required to balance hydrocarbon haze production via methane photolysis [Wilson and Atreya, 2004. Current state of modeling the photochemistry of Titan's mutually dependent atmosphere and ionosphere. J. Geophys. Res. 109, E06002 Doi: 10.1029/2003JE002181]. This low CO/CH4 ratio is much lower than expected for the sub-nebular formation region of Titan and supports the hypothesis [e.g., Atreya et al., 2005. Methane on Titan: photochemical-meteorological-hydrogeochemical cycle. Bull. Am. Astron. Soc. 37, 735] that the conversion of primordial CO and other carbon-bearing materials into CH4-enriched clathrate-hydrates occurs within the deep interior of Titan via the release of hydrogen through the serpentinization process followed by Fischer-Tropsch catalysis. The time-averaged predicted emission rate of methane-rich surface materials is approximately 0.02 km(exp 3) yr (exp -1), a value significantly lower than the rate of silicate lava production for the Earth and Venus, but nonetheless indicative of significant geological processes reshaping the surface of Titan.

carbon compounds↗

Hydrogen Embrittlement

Hydrogen embrittlement (HE) is a process resulting in a decrease in the fracture toughness or ductility of a metal due to the presence of atomic hydrogen. In addition to pure hydrogen gas as a direct source for the absorption of atomic hydrogen, the damaging effect can manifest itself from other hydrogen-containing gas species such as hydrogen sulfide (H2S), hydrogen chloride (HCl), and hydrogen bromide (HBr) environments. It has been known that H2S environment may result in a much more severe condition of embrittlement than pure hydrogen gas (H2) for certain types of alloys at similar conditions of stress and gas pressure. The reduction of fracture loads can occur at levels well below the yield strength of the material. Hydrogen embrittlement is usually manifest in terms of singular sharp cracks, in contrast to the extensive branching observed for stress corrosion cracking. The initial crack openings and the local deformation associated with crack propagation may be so small that they are difficult to detect except in special nondestructive examinations. Cracks due to HE can grow rapidly with little macroscopic evidence of mechanical deformation in materials that are normally quite ductile. This Technical Memorandum presents a comprehensive review of experimental data for the effects of gaseous Hydrogen Environment Embrittlement (HEE) for several types of metallic materials. Common material screening methods are used to rate the hydrogen degradation of mechanical properties that occur while the material is under an applied stress and exposed to gaseous hydrogen as compared to air or helium, under slow strain rates (SSR) testing. Due to the simplicity and accelerated nature of these tests, the results expressed in terms of HEE index are not intended to necessarily represent true hydrogen service environment for long-term exposure, but rather to provide a practical approach for material screening, which is a useful concept to qualitatively evaluate the severity of hydrogen embrittlement. The effects of hydrogen gas on mechanical properties such as tensile strength, ductility, fracture, low and high cycle fatigue, crack growth rate, and creep rupture are analyzed with respect to the general trends established from the HEE index values. It is observed that the severity of HE effects is also influenced by environmental factors such as pressure, temperature, and hydrogen gas purity. The severity of HE effects is also influenced by material factors such as surface finish, heat treatment, and product forms, compositions, grain direction, and crystal orientations.

Jonathan A. Lee↗

Applications of Atomic Layer Deposition in the Modification of Carbon Nanotubes

Atomic Layer Deposition (ALD) is a cost-effective nanoadditive-manufacturing technique that allows for conformal coating of substrates with atomic control in a benign temperature and pressure environment. Using paired precursor gases, thin films can be deposited on flat or textured surfaces ranging from glass, polymers, aerogels, and metals. Through atomic layer control, where single layers of atoms are deposited, fabrication of metal transparent films, nano-laminates, and coatings of nano-channels and pores is achievable. Reaction mechanisms in ALD are normally self-limiting, allowing for atomically accurate control of nanometer (nm) thicknesses. Therefore, high uniformity and precise thickness control make ALD an attractive process for the creation of novel nano-scale devices. Decreases in resistivity and density of electrical wire are needed to improve the function of electronics, electric motors and cables. Such improvements may be accomplished by adding ballistically conducting, metallic carbon nanotubes (CNT) to Cu. ALD was used to coat multiple substrates including CNT with Cu in an effort to make CNT-Cu composites which is more conductive and less dense than Cu. In addition, ALD can be used to as a method to deposit the catalyst layer seed layer for CNT growth using Ni. The ALD of copper metallic films can follow multiple reaction pathways depending on the ALD precursors used. For this work the reaction pathway was deposition of copper oxide and then post process annealing in a hydrogen environment. Copper(II) diacetylacetonate (Cu(acac)2) and ozone are used as precursors for copper oxide. As-deposited copper oxide films prepared at 180°C resulted in a growth per cycle of 1.0 A/cycle with low film resistivity.

Dwivedi, Vivek H.↗

Lunar Water Pilot Plant Conceptual Design

A study was conducted to determine mass, power, and concept of operations for a polar water pilot plant that can produce 1000 kg of oxygen in a year from 1125 kg of water extracted from the icy regolith in a permanently shadowed region(PSR). Icy regolith in the PSR is excavated and delivered to a stationary dryer that extracts the water which is frozen in an ice tanker and delivered up to the ridge for further processing into oxygen and hydrogen. This study assumed a previously landed nuclear reactor was available in the PSR to provide power for the water extraction, which requires 2.4 kW of power, including a 30 percent margin. At 325 kg, the ISRU system massin the PSR, including the excavator, should be deliverable by one of the Commercial Lunar Payload Services (CLPS) landers, and the packaging and concept of operations are shown using one specific CLPS lander. The mass and power of the ISRU system components on the ridge for water electrolysis and liquefaction and storage of the oxygen and hydrogen are estimated at 840 kg and 4.3 kW.

Lunar↗

Lunar Water Pilot Plant Conceptual Design

A study was conducted to determine mass, power, and concept of operations for a polar water pilot plant that can produce 1000 kg of oxygen in a year from 1125 kg of water extracted from the icy regolith in a permanently shadowed region(PSR). Icy regolith in the PSR is excavated and delivered to a stationary dryer that extracts the water which is frozen in an ice tanker and delivered up to the ridge for further processing into oxygen and hydrogen. This study assumed a previously landed nuclear reactor was available in the PSR to provide power for the water extraction, which requires 2.4 kW of power, including a 30 percent margin. At 325 kg, the ISRU system mass in the PSR, including the excavator, should be deliverable by one of the Commercial Lunar Payload Services (CLPS) landers, and the packaging and concept of operations are shown using one specific CLPS lander. The mass and power of the ISRU system components on the ridge for water electrolysis and liquefaction and storage of the oxygen and hydrogen are estimated at 840 kg and 4.3 kW.

Lunar↗

Carbonatite metasomatism and water systematics of peridotite xenoliths from Lanzarote, Canaries

Water in Earth’s mantle, present as structural hydrogen in minerals, influences large scale processes like mantle deformation, plate tectonics, and melting. To better understand the processes controlling water concentrations in the Earth’s upper mantle, we analyzed hydrogen (calculated as ppm wt. H2O), major, and trace element concentrations in minerals from harzburgite xenoliths of Lanzarote, Canaries. Previous studies have shown evidence for carbonatite metasomatism in Lanzarote peridotites and carbonatite magmas have erupted in the Canaries. Thus, the Canaries offer a rare opportunity to examine the role of metasomatism and carbonatitic magmas in rehydrating the oceanic lithosphere during plume-lithosphere interaction. Major element data (obtained by electron microprobe) show that these peridotites are highly depleted compared to the primitive mantle, with a high average olivine Mg# (91.1 ± 0.5), low bulk rock Al2O3 (0.4 to 1.4 wt.%), high spinel Cr# (40 to 72) from which high degrees of melting were estimated (15 to 21%). There is no evidence of hydrous phases (e.g., amphibole and phlogopite), thus water in these peridotites is thought to be stored only in nominally anhydrous minerals and melt inclusions. Water concentrations (determined by polarized FTIR spectroscopy), in the peridotite silicate minerals range from 2.7 to 13 ppm in olivine, 42 to 265 ppm in orthopyroxene (Opx), and 76 to 470 ppm in clinopyroxene (Cpx). Reconstructed bulk rock water concentrations range from 5 to 115 ppm, generally lower than estimates for the depleted mantle (DM, 50-200 ppm). Trace element data in Opx, Cpx, and bulk rock frequently show high La/Yb ratios (up to 12.2, 71.5, 45.2; respectively) and strong negative Zr, Hf, and Ti anomalies relative to REE, consistent with carbonatite metasomatism. With decreasing Ti/Eucpx ratios, a proxy for carbonatite metasomatism, the bulk water increases. The calculated trace element compositions of melts in equilibrium with Cpx strongly resemble those of carbonatites. However, the bulk rock water concentrations are two magnitudes lower than what is expected by equilibrium with a carbonatite melt. Evidently, carbonatitic metasomatism did rehydrate of the Lanzarote mantle lithosphere but less so than expected, implying lower partitioning of H in the presence of CO2than a silicate melt.

S. Patterson↗

Thermochemical nonequilibrium in atomic hydrogen at elevated temperatures

A numerical study of the nonequilibrium flow of atomic hydrogen in a cascade arc was performed to obtain insight into the physics of the hydrogen cascade arc. A rigorous mathematical model of the flow problem was formulated, incorporating the important nonequilibrium transport phenomena and atomic processes which occur in atomic hydrogen. Realistic boundary conditions, including consideration of the wall electrostatic sheath phenomenon, were included in the model. The governing equations of the asymptotic region of the cascade arc were obtained by writing conservation of mass and energy equations for the electron subgas, an energy conservation equation for heavy particles and an equation of state. Finite-difference operators for variable grid spacing were applied to the governing equations and the resulting system of strongly coupled, stiff equations were solved numerically by the Newton-Raphson method.

Scott, R. K.↗

Acetylene fuel from atmospheric CO2 on Mars

The Mars mission scenario proposed by Baker and Zubrin (1990) intended for an unmanned preliminary mission is extended to maximize the total impulse of fuel produced with a minimum mass of hydrogen from Earth. The hydrogen along with atmospheric carbon dioxide is processed into methane and oxygen by the exothermic reaction in an atmospheric processing module. Use of simple chemical reactions to produce acetylene/oxygen rocket fuel on Mars from hydrogen makes it possible to produce an amount of fuel that is nearly 100 times the mass of hydrogen brought from earth. If such a process produces the return propellant for a manned Mars mission, the required mission mass in LEO is significantly reduced over a system using all earth-derived propellants.

Landis, Geoffrey A.↗

Study to minimize hydrogen embrittlement of ultrahigh-strength steels

Hydrogen-stress cracking in high-strength steels is influenced by hydrogen content of the material and its hydrogen absorption tendency. Non-embrittling cleaning, pickling, and electroplating processes are being studied. Protection from this hydrogen embrittlement is important to the aerospace and aircraft industries.

Elsea, S. T.↗

Pneumatic Regolith Transfer Systems for In-Situ Resource Utilization

One aspect of In-Situ Resource Utilization (lSRU) in a lunar environment is to extract oxygen and other elements from the minerals that make up the lunar regolith. Typical ISRU oxygen production processes include but are not limited to hydrogen reduction, carbothermal and molten oxide electrolysis. All of these processes require the transfer of regolith from a supply hopper into a reactor for chemical reaction processing, and the subsequent extraction of the reacted regolith from the reactor. This paper will discuss recent activities in the NASA ISRU project involved with developing pneumatic conveying methods to achieve lunar regolith simulant transfer under I-g and 1/6-g gravitational environments. Examples will be given of hardware that has been developed and tested by NASA on reduced gravity flights. Lessons learned and details of pneumatic regolith transfer systems will be examined as well as the relative performance in a 1/6th G environment

Mueller, Robert P.↗

Influence of the temperature of electrode material on its disintegration under the action of an arc discharge in hydrogen

An analysis is made of the electrophysical processes occurring at the end surface of rod electrodes during constant and alternating arc discharge in hydrogen. Experiments are reported on the effect of surface temperature of tungsten electrodes on their erosion. The influence of activating additions of thorium oxide, the structure of the tungsten, and the gas surrounding the electrode on the specific thermal loading and the erosion of the electrodes is discussed.

Bolotov, A. V.↗

NASA Tech Briefs, October 2010

Topics covered include: Hybrid Architecture Active Wavefront Sensing and Control; Carbon-Nanotube-Based Chemical Gas Sensor; Aerogel-Positronium Technology for the Detection of Small Quantities of Organic and/or Toxic Materials; Graphene-Based Reversible Nano-Switch/Sensor Schottky Diode; Inductive Non-Contact Position Sensor; High-Temperature Surface-Acoustic-Wave Transducer; Grid-Sphere Electrodes for Contact with Ionospheric Plasma; Enabling IP Header Compression in COTS Routers via Frame Relay on a Simplex Link; Ka-Band SiGe Receiver Front-End MMIC for Transponder Applications; Robust Optimization Design Algorithm for High-Frequency TWTs; Optimal and Local Connectivity Between Neuron and Synapse Array in the Quantum Dot/Silicon Brain; Method and Circuit for In-Situ Health Monitoring of Solar Cells in Space; BGen: A UML Behavior Network Generator Tool; Platform for Post-Processing Waveform-Based NDE; Electrochemical Hydrogen Peroxide Generator; Fabrication of Single, Vertically Aligned Carbon Nanotubes in 3D Nanoscale Architectures; Process to Create High-Fidelity Lunar Dust Simulants; Lithium-Ion Electrolytes Containing Phosphorous-Based, Flame-Retardant Additives; InGaP Heterojunction Barrier Solar Cells; Straight-Pore Microfilter with Efficient Regeneration; Determining Shear Stress Distribution in a Laminate; Self-Adjusting Liquid Injectors for Combustors; Handling Qualities Prediction of an F-16XL-Based Reduced Sonic Boom Aircraft; Tele-Robotic ATHLETE Controller for Kinematics - TRACK; Three-Wheel Brush-Wheel Sampler; Heterodyne Interferometer Angle Metrology; Aligning Astronomical Telescopes via Identification of Stars; Generation of Optical Combs in a WGM Resonator from a Bichromatic Pump; Large-Format AlGaN PIN Photodiode Arrays for UV Images; Fiber-Coupled Planar Light-Wave Circuit for Seed Laser Control in High Spectral Resolution Lidar Systems; On Calculating the Zero-Gravity Surface Figure of a Mirror; Optical Modification of Casimir Forces for Improved Function of Micro- and Nano-Scale Devices; Analysis, Simulation, and Verification of Knowledge-Based, Rule-Based, and Expert Systems; Core and Off-Core Processes in Systems Engineering; Digital Reconstruction Supporting Investigation of Mishaps; and Template Matching Approach to Signal Prediction.

Source record↗

Development and Validation of a Model for Hydrogen Reduction of JSC-1A

Hydrogen reduction of lunar regolith has been proposed as a viable technology for oxygen production on the moon. Hydrogen reduces FeO present in the lunar regolith to form metallic iron and water. The water may be electrolyzed to recycle the hydrogen and produce oxygen. Depending upon the regolith composition, FeO may be bound to TiO2 as ilmenite or it may be dispersed in glassy substrates. Some testing of hydrogen reduction has been conducted with Apollo-returned lunar regolith samples. However, due to the restricted amount of lunar material available for testing, detailed understanding and modeling of the reduction process in regolith have not yet been developed. As a step in this direction, hydrogen reduction studies have been carried out in more detail with lunar regolith simulants such as JSC-1A by NASA and other organizations. While JSC-1A has some similarities with lunar regolith, it does not duplicate the wide variety of regolith types on the moon, for example, it contains almost no ilmenite. Nonetheless, it is a good starting point for developing an understanding of the hydrogen reduction process with regolith-like material. In this paper, a model utilizing a shrinking core formulation coupled with the reactor flow is described and validated against experimental data on hydrogen reduction of JSC-1A.

Hegde, U.↗

One-Step Coal Liquefaction

Steam injection improves yield and quality of product. Single step process for liquefying coal increases liquid yield and reduces hydrogen consumption. Principal difference between this and earlier processes includes injection of steam into reactor. Steam lowers viscosity of liquid product, so further upgrading unnecessary.

Qader, S. A.↗

Residual Gases in Crystal Growth Systems: Their Origin, Magnitude, and Dependence on the Processing Conditions

Residual gases present in closed ampoules may affect different crystal growth processes. Their presence may affect techniques requiring low pressures and affect the crystal quality in different ways. For that reason a good understanding and control of formation of residual gases may be important for an optimum design and meaningful interpretation of crystal growth experiments. Our extensive experimental and theoretical study includes degassing of silica glass and generation of gases from various source materials. Different materials processing conditions, like outgassing under vacuum, annealing in hydrogen, resublimation, different material preparation procedures, multiple annealings, different processing times, and others were applied and their effect on the amount and composition of gas were analyzed. The experimental results were interpreted based on theoretical calculations on diffusion in silica glass and source materials and thermochemistry of the system. Procedures for a reduction of the amount of gas are also discussed.

Palosz, W.↗

Residual Gases in Crystal Growth Systems

Residual gases present in closed ampoules may affect different crystal growth processes. That seems to be particularly true under microgravity conditions where, due to weightlessness of the melt, the gases may lead to detached solidification and/or formation of voids and bubbles, as observed in the past. For that reason a good understanding and control of formation of residual gases is important for an optimum design and meaningful interpretation of crystal growth experiments. Our extensive experimental and theoretical studies of the subject, summarized in this paper, include degassing of silica glass and generation of gases from different source materials. Different materials processing conditions, like outgassing under vacuum, annealing in hydrogen, resublimation, different material preparation procedures, multiple annealings, different processing times, and others were applied and their effect on the amount and composition of gas were analyzed. The experimental results were interpreted based on theoretical calculations on diffusion in silica glass and source materials and thermochemistry of the system. Procedures for a reduction of the amount of gas are also discussed.

Palosz, W.↗