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At least 505 records · Page 28

The importance of atomic and molecular correlation on the bonding in transition metal compounds

The determination of accurate spectroscopic parameters for molecular systems containing transition metal atoms is shown to require extensive data sets and a high level correlation treatment, and techniques and their limitations are considered. Extensive results reported on the transition metal atoms, hydrides, oxides, and dimers makes possible the design of a calculation to correctly describe the mixing of different atomic asymptotes, and to give a correct balance between molecular bonding and exchange interactions. Examples considered include the dipole moment of the 2Delta state of NiH, which can help determine the mixture of 3d(8)4s(2) and 3d(9)4s(1) in the NiH wavefunction, and the bonding in CrO, where an equivalent description of the relative energies associated with the Cr 3d-3d atomic exchange and the Cr-O bond is important.

Bauschlicher, Charles W., Jr.↗

Liquid-solid equilibria involving spinel, ilmenite, and ferropseudobrookite in the system 'FeO'-Al2O3-TiO2 in contact with metallic iron

Phase relations in the liquidus temperature region of the system 'FeO'-Al2O3-TiO2 in contact with metallic iron, at a total pressure below 1 atm, have been determined by the quenching technique. Four invariant points have been located, with phase assemblages and temperatures as follows; wuestite, ulvoespinel, nercynite and liquid, 1306 C; ulvoespinel, ilmenite, ferropseudobrookite and liquid, 1340 C; ulvoespinel, hercynite, ferropseudobrookite and liquid, 1367 C; hercynite, ferropseudobrookite, corundum and liquid, 1465 C. The data obtained confirm the presence of a miscibility gap between titanate and aluminate spinels, and provide quantitative data for the effect of Al2O3 on mutual stability relations among spinel, ilmenite, and ferropseudobrookite phases in the presence of liquid at high temperatures and strongly reducing conditions. It is shown that Al2O3 has a strong stabilizing effect on the phase assemblage ferropseudobrookite and spinel relative to ilmenite.

Schreifels, W. A.↗

Metal oxide regenerable carbon dioxide removal system for an advanced portable life support system

The development of a CO2 removal system for an astronaut portable life support system to meet the EVA requirements for the Space Station is discussed, focusing on the factors important in the selection of the metal oxide absorbent for CO2 removal. Results from laboratory tests on metal oxide absorbent materials are given, including characterization studies and dynamic CO2 uptake and regeneration measurements. The preliminary design of the breadboard system to perform both the absorption and regeneration functions is presented.

Nacheff, Maurena S.↗

Guidance and control of MIR TDL radiation via flexible hollow metallic rectangular pipes and fibers for possible LHS and other optical system compaction and integration

Flexible hollow metallic rectangular pipes and infrared fibers are proposed as alternate media for collection, guidance and manipulation of mid-infrared tunable diode laser (TDL) radiation. Certain features of such media are found to be useful for control of TDL far field patterns, polarization and possibly intensity fluctuations. Such improvement in dimension compatibility may eventually lead to laser heterodyne spectroscopy (LHS) and optical communication system compaction and integration. Infrared optical fiber and the compound parabolic coupling of light into a hollow pipe waveguide are discussed as well as the design of the waveguide.

Yu, C.↗

Testing of Liquid Metal Components for Nuclear Surface Power Systems

The capability to perform testing at both the module/component level and in near prototypic reactor configurations using a non-nuclear test methodology allowed for evaluation of two components critical to the development of a potential nuclear fission power system for the lunar surface. A pair of 1 kW Stirling power convertors, similar to the type that would be used in a reactor system to convert heat to electricity, were integrated into a reactor simulator system to determine their performance using pumped NaK as the hot side working fluid. The performance in the pumped-NaK system met or exceed the baseline performance measurements where the converters were electrically heated. At the maximum hot-side temperature of 550 C the maximum output power was 2375 watts. A specially-designed test apparatus was fabricated and used to quantify the performance of an annular linear induction pump that is similar to the type that could be used to circulate liquid metal through the core of a space reactor system. The errors on the measurements were generally much smaller than the magnitude of the measurements, permitting accurate performance evaluation over a wide range of operating conditions. The pump produced flow rates spanning roughly 0.16 to 5.7 l/s (2.5 to 90 GPM), and delta p levels from less than 1 kPa to 90 kPa (greater than 0.145 psi to roughly 13 psi). At the nominal FSP system operating temperature of 525 C the maximum efficiency was just over 4%.

Polzin, K. A.↗

Compatibility Study of Silver Biocide in Drinking Water with Candidate Metals for Crew Exploration Vehicle Potable Water System

The stability of silver biocide, used to keep drinking water on the CEV potable water sterile, is unknown as the system design is still in progress. Silver biocide in water can deplete rapidly when exposed to various metal surfaces. Additionally, silver depletion rates may be affected by the surface-area-to-volume (SA/V) ratios in the water system. Therefore, to facilitate the CEV water system design, it would be advantageous to know the biocide depletion rates in water exposed to the surfaces of these candidate metals at various SA/V ratios. Certain surface treatments can be employed to reduce the depletion rates of silver compared to the base metal. The purpose of this work is to determine the compatibility of specific spaceflight-certified metals that could used in the design of the CEV potable water system with silver biocide as well as understand the effect of surface are to volume ratios of metals used in the construction of the potable water system on the silver concentration.

Adam, Niklas M.↗

Advanced refractory metals and composites for extraterrestrial power systems

Concepts for future space power systems include nuclear and focused solar heat sources coupled to static and dynamic power-conversion devices; such systems must be designed for service lives as long as 30 years, despite service temperatures of the order of 1600 K. Materials are a critical technology-development factor in such aspects of these systems as reactor fuel containment, environmental protection, power management, and thermal management. Attention is given to the prospective performance of such refractory metals as Nb, W, and Mo alloys, W fiber-reinforced Nb-matrix composites, and HfC precipitate-strengthened W-Re alloys.

Titran, R. H.↗

Metal/silicate fractionation in the solar system.

Fractionation between the metal and silicate components of objects in the inner solar system has long been recognized as a necessity in order to explain the observed density variations of the terrestrial planets and the H-group, L-group dichotomy of the ordinary chondrites. This paper discusses the densities of the terrestrial planets in light of current physical and chemical models of processes in the solar nebula. It is shown that the observed density trends in the inner solar system need not be the result of special fractionation processes, and that the densities of the planets may be direct results of simultaneous application of both physical and chemical restraints on the structure of the nebula, most notably the variation of temperature with heliocentric distance. The density of Mercury is easily attributed to accretion at temperatures so high that MgSiO3 is only partially retained but Fe metal is condensed. The densities of the other terrestrial planet are shown to be due to different degrees of retention of S, O and H as FeS, FeO and hydrous silicates produced in chemical equilibrium between condensates and solar-composition gases.

Lewis, J. S.↗

Isotopic and Microstructural Analyses of Opaque Mineral Assemblages and Their Alteration Products Hosted in a Refractory Inclusion

Calcium-aluminum-rich inclusions (CAIs) hosted in primitive meteorites are the oldest solids formed in the Solar System. Some CAIs contain metal nuggets that are complex assemblages of Fe-Ni alloys, along with rare ultra-refractory metals such as platinum group elements (PGEs), and their alteration products such as magnetite, sulfides, and phosphates. Three possible mechanisms proposed to explain the origin of these metal nuggets include condensation in circumstellar settings, condensation in the solar nebula within the CAI-forming region, or crystallization from immiscible metal-silicate melt. However, secondary alteration processes may have also affected some of these assemblages. Additionally, similar metal assemblages observed in chondrules and chondritic matrix indicate that all of these metal nuggets could share common high-temperature origins. These metal assemblages record early Solar System conditions that are reflected in their distinctive chemical composition, mineralogy and microstructures. Here we report a detailed mineralogical, microstructural and oxygen isotopic study of one such metal assemblage hosted in a CAI to understand the physical and chemical settings in which it formed.

Mane, P.↗

High power metallic halide laser

A laser amplification system is disclosed whereby a metallic halide vapor such as copper chloride is caused to flow through a laser amplifier and a heat exchanger in a closed loop system so that the flow rate is altered to control the temperature rise across the length of the laser amplifier. The copper atoms within the laser amplifier should not exceed a temperature of 3000 K, so that the number of copper atoms in the metastable state will not be high enough to prevent amplification in the amplifier. A molecular dissociation apparatus is provided at the input to the laser amplifier for dissociating the copper chloride into copper atoms and ions and chlorine atoms and ions. The dissociation apparatus includes a hollow cathode tube and an annular ring spaced apart from the tube end. A voltage differential is applied between the annular ring and the hollow cathode tube so that as the copper chloride flows through, it is dissociated into copper and chlorine ions and atoms.

Pivirotto, T. J.↗

The Calculation of Accurate Metal-Ligand Bond Energies

The optimization of the geometry and calculation of zero-point energies are carried out at the B3LYP level of theory. The bond energies are determined at this level, as well as at the CCSD(T) level using very large basis sets. The successive OH bond energies to the first row transition metal cations are reported. For most systems there has been an experimental determination of the first OH. In general, the CCSD(T) values are in good agreement with experiment. The bonding changes from mostly covalent for the early metals to mostly electrostatic for the late transition metal systems.

Bauschlicher, Charles W.↗

Analysis of the plugging of the systems autonomy demonstration project brassboard filters

A fine gray powder was clogging the brassboard filters. The powder appeared to be residue from a galvanic corrosive attack by ammonia of the aluminum and stainless steel components in the system. The corrosion was caused by water and chlorine that had entered into the system and combined with the ammonia. This combination made an electrolyte and a corrosive agent of the ammonia that attacked the metals in the system. The corroded material traveled through the system with the ammonia and clogged the filters. Key conclusions are: the debris collecting in the filters is a by-product of galvanic corrosion; the debris is principally corroded aluminum and stainless from the system; and galvanic corrosion occurred from water and chlorine that entered the system during normal and/or extreme operating and servicing conditions. Key recommendations are: use only one metal in the ammonia system-titanium, aluminum, or stainless steel; make the system as air-tight as possible (replace fittings with welded joints); and replace electron paramagnetic resonance (EPR) O-rings with neoprene O-rings, and do not use freon to clean system components.

Clay, John C.↗

High Temperature Stability of Dissimilar Metal Joints in Fission Surface Power Systems

Future generations of power systems for spacecraft and lunar surface systems will likely require a strong dependence on nuclear power. The design of a space nuclear power plant involves integrating together major subsystems with varying materia1 requirements. Refractory alloys are repeatedly considered for major structural components in space power reactor designs because refractory alloys retain their strength at higher temperatures than other classes of metals. The relatively higher mass and lower ductility of the refractory alloys make them less attractive for lower temperature subsystems in the power plant such as the power conversion system. The power conversion system would consist more likely of intermediate temperature Ni-based superalloys. One of many unanswered questions about the use of refractory alloys in a space power plant is how to transition from the use of the structural refractory alloy to more traditional structural alloys. Because deleterious phases can form when complex alloys are joined and operated at elevated temperatures, dissimilar material diffusion analyses of refractory alloys and superalloys are needed to inform designers about options of joint temperature and operational lifetime. Combinations of four superalloys and six refractory alloys were bonded and annealed at 1150 K and 1300 K to examine diffusional interactions in this study. Joints formed through hot pressing and hot isostatic pressing were compared. Results on newer alloys compared favorably to historical data. Diffusional stability is promising for some combinations of Mo-Re alloys and superalloys at 1150 K, but it appears that lower joint temperatures would be required for other refractory alloy couples.

Locci, Ivan E.↗

Bismuth Propellant Feed System Development at NASA-MSFC

NASA-MSFC has been developing liquid metal propellant feed systems capable of delivering molten bismuth at a prescribed mass flow rate to the vaporizer of an electric thruster. The first such system was delivered to NASA-JPL as part of the Very High Isp Thruster with Anode Layer (VHITAL) program. In this system, the components pictured were placed in a vacuum chamber and heated while the control electronics were located outside the chamber. The system was successfully operated at JPL in conjunction with a propellant vaporizer, and data was obtained demonstrating a new liquid bismuth flow sensing technique developed at MSFC. The present effort is aimed at producing a feed-system for use in conjunction with a bismuth-fed Hall thruster developed by Busek Co. Developing this system is more ambitious, however, in that it is designed to self-contain all the control electronics inside the same vacuum chamber as an operating bismuth-fed thruster. Consequently, the entire system, including an on-board computer, DC-output power supplies, and a gas-pressurization electro-pneumatic regulator, must be designed to survive a vacuum environment and shielded to keep bismuth plasma from intruding on the electronics and causing a shortcircuit. In addition, the hot portions of the feed system must be thermally isolated from the electronics to avoid failure due to high heat loads. This is accomplished using a thermal protection system (TPS) consisting of multiple layers of aluminum foil. The only penetrations into the vacuum chamber are an electrically isolated (floating) 48 VDC line and a fiberoptic line. The 48 VDC provides power for operation of the power supplies and electronics co-located with the system in the vacuum chamber. The fiberoptic Ethernet connection is used to communicate user-input control commands to the on-board computer and transmit real-time data back to the external computer. The partially assembled second-generation system is shown. Before testing at Busek, a more detailed flow sensor calibration will be performed to accurately quantify the flow monitoring capabilities. This effort is funded under a Technology Innovation Program (TIP) award from NASA-MSFC's Technology Transfer office and performed under SAA8-061060.

Polzin, Kurt A.↗

A computer controlled mass spectrometer system for investigating the decomposition of non-metallic materials under atmospheric conditions

A PDP 11/23 quadrupole mass spectrometer system was coupled to a nondiscriminating gas inlet system permitting gases at atmospheric pressure to be admitted into a high vacuum chamber containing the ion source of the mass spectrometer without separation of the gaseous components. The resolution of related software problems has resulted in a convenient computer-mass spectrometer system capable of generating masses, relative intensities and related data on the gaseous products resulting from the atmospheric thermal decomposition of nonmetallic materials.

Thompson, J. M.↗

Development of Metal Matrix Composites for NASA'S Advanced Propulsion Systems

The state-of-the-art development of several aluminum and copper based Metal Matrix Composites (MMC) for NASA's advanced propulsion systems will be presented. The presentation's goal is to provide an overview of NASA-Marshall Space Flight Center's planned and on-going activities in MMC for advanced liquid rocket engines such as the X-33 vehicle's Aerospike and X-34 Fastrac engine. The focus will be on lightweight and environmental compatibility with oxygen and hydrogen of key MMC materials, within each NASA's new propulsion application, that will provide a high payoff for NASA's reusable launch vehicle systems and space access vehicles. Advanced MMC processing techniques such as plasma spray, centrifugal casting, pressure infiltration casting will be discussed. Development of a novel 3D printing method for low cost production of composite preform, and functional gradient MMC to enhanced rocket engine's dimensional stability will be presented.

Lee, Jonathan A.↗

Metallic seal for thermal barrier coating systems

The invention is particularly concerned with sealing thermal barrier coating systems of the type in use and being contemplated for use in diesel and other internal combustion engines. The invention also would find application in moderately high temperature regions of gas turbine engines and any other application employing a thermal barrier coating at moderate temperatures. Ni-35Cr-6Al-1Y, Ni-35Cr-6Al-1Yb, or other metallic alloy denoted as MCrAlx is applied over a zirconia-based thermal barrier overlayer. The close-out layer is glass-bead preened to densify its surface. This seals and protects the thermal barrier coating system.

Miller, Robert A.↗