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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Reliable Spectroscopic Constants for CCH-, NH2- and Their Isotopomers from an Accurate Potential Energy Function

Accurate quartic force fields have been determined for the CCH- and NH2- molecular anions using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). Very large one-particle basis sets have been used including diffuse functions and up through g-type functions. Correlation of the nitrogen and carbon core electrons has been included, as well as other "small" effects, such as the diagonal Born-Oppenheimer correction, and basis set extrapolation, and corrections for higher-order correlation effects and scalar relativistic effects. Fundamental vibrational frequencies have been computed using standard second-order perturbation theory as well as variational methods. Comparison with the available experimental data is presented and discussed. The implications of our research for the astronomical observation of molecular anions will be discussed.

Lee, Timothy J.↗
NASA NTRS1994

Electronic characterization of defects in narrow gap semiconductors

We use a Green's function technique to calculate the position of deep defects in narrow gap semiconductors. We consider substitutional (including antisite), vacancy, and interstitial (self and foreign) deep defects. We also use perturbation theory to look at the effect of nonparabolic bands on shallow defect energies and find nonparabolicity can increase the binding by 10 percent or so. We consider mercury cadmium telluride (MCT), mercury zinc telluride (MZT), and mercury zinc selenide (MZS). For substitutional and interstitial defects we look at the situation with and without relaxation. For substitutional impurities in MCT, MZT, and MZS, we consider x (the concentration of Cd or Zn) in the range 0.1 less than x less than 0.3 and also consider appropriate x so E(sub g) = 0.1 eV for each of the three compounds. We consider several cation site s-like deep levels and anion site p-like levels. For E(sub g) = 0.1 eV, we also consider the effects of relaxation. Similar comments apply to the interstitial deep levels whereas no relaxation is considered for the ideal vacancy model. Relaxation effects can be greater for the interstitial than the substitutional cases. Specific results are given in figures and tables and comparison to experiment is made in a limited number of cases. We find, for example, that I, Se, S, Rn, and N are possible cation site, s-like deep levels in MCT and Zn and Mg are for anion site, p-like levels (both levels for substitutional cases). The corresponding cation and anion site levels for interstitial deep defects are (Au, Ag, Hg, Cd, Cu, Zn) and (N, Ar, O, F). For the substitutional cases we have some examples of relaxation moving the levels into the band gap, whereas for the interstitial case we have examples where relaxation moves it out of the band gap. Future work involves calculating the effects of charge state interaction and seeing the effect of relaxation on vacancy levels.

Patterson, James D.↗
NASA NTRS1981

Demonstration Advanced Avionics System (DAAS), Phase 1

Demonstration advanced anionics system (DAAS) function description, hardware description, operational evaluation, and failure mode and effects analysis (FMEA) are provided. Projected advanced avionics system (PAAS) description, reliability analysis, cost analysis, maintainability analysis, and modularity analysis are discussed.

Bailey, A. J.↗
NASA NTRS1990

Semiconductor surface sublimation energies and atom-atom interactions

The energy required to remove an atom from semiconductor surfaces is calculated using a Green's-function approach. Contrary to intuition, it is found that, in some cases, less energy is needed to remove an atom from the nearly full surface than from a nearly empty surface. The results are explained in terms of the relative energies of anion and cation dangling bonds, and the charge transfers between them. The deducted effective pair-interaction energies and their effects on surface morphology and growth perfection are discussed.

Krishnamurthy, Srinivasan↗
NASA NTRS1998

Two genetically separable phases of growth inhibition induced by blue light in Arabidopsis seedlings

High fluence-rate blue light (BL) rapidly inhibits hypocotyl growth in Arabidopsis, as in other species, after a lag time of 30 s. This growth inhibition is always preceded by the activation of anion channels. The membrane depolarization that results from the activation of anion channels by BL was only 30% of the wild-type magnitude in hy4, a mutant lacking the HY4 BL receptor. High-resolution measurements of growth made with a computer-linked displacement transducer or digitized images revealed that BL caused a rapid inhibition of growth in wild-type and hy4 seedlings. This inhibition persisted in wild-type seedlings during more than 40 h of continuous BL. By contrast, hy4 escaped from the initial inhibition after approximately 1 h of BL and grew faster than wild type for approximately 30 h. Wild-type seedlings treated with 5-nitro-2-(3-phenylpropylamino)-benzoic acid, a potent blocker of the BL-activated anion channel, displayed rapid growth inhibition, but, similar to hy4, these seedlings escaped from inhibition after approximately 1 h of BL and phenocopied the mutant for at least 2.5 h. The effects of 5-nitro-2-(3-phenylpropylamino)-benzoic acid and the HY4 mutation were not additive. Taken together, the results indicate that BL acts through HY4 to activate anion channels at the plasma membrane, causing growth inhibition that begins after approximately 1 h. Neither HY4 nor anion channels appear to participate greatly in the initial phase of inhibition.

Non-NASA Center↗
NASA NTRSDate not supplied

Wastewater Brine Purification and Recovery through Electrodialysis Ion Exchange

Reutilizing resources onboard the International Space Station (ISS) and for future deep space missions are critical for mission longevity and sustainability. Wastewater brine produced from water recovery systems contain chemical species that could be processed into a potential fertilizer for future plant systems. This can be achieved through a process called electrodialysis ion exchange. Wastewater containing inorganic salt components are fed through a series of ion exchange membranes to produce fertilizer (a phosphate rich stream), electrolysis-grade water, and other useful commodities. Electrodialysis cells consisting of anion and cation exchange membranes, monovalent anion exchange membranes, and bipolar membranes were utilized to achieve selective ion exchange. The use of the electrodialysis cells were effective for both water extraction and ion separation. Ions successfully diffused across their respective membranes into the concentrate, acid, and base streams. This resulted in pure water, a phosphate rich stream, and a separate anion/hydrogen and cation/hydroxide stream. However, sulfate and some phosphate ions were able to diffuse through the monovalent anion exchange membrane into the acid stream. This resulted in predominantly phosphate ions remaining in the concentrate. Optimization of the process was accomplished by altering flowrates of each stream and initial volumes, adjusting the power input and resulting current through each cell, and varying the starting parameters by splitting the inorganic waste input into the diluate and the concentrate. As expected, increasing the flowrate and the power input to each cell reduced the overall time of the process. However, mission constraints may require a longer duration process in order to reduce the power consumption. Further analysis will be required to determine the power input necessary to achieve ion diffusion effectively and in a timely manner.

Ion Exchange Membranes↗
NASA NTRS1986

Aerosols in polluted versus nonpolluted air masses Long-range transport and effects on clouds

To assess the influence of anthropogenic aerosols on the physics and chemistry of clouds in the northeastern United States, aerosol and cloud-drop size distributions, elemental composition of aerosols as a function of size, and ionic content of cloud water were measured on Whiteface Mountain, NY, during the summers of 1981 and 1982. In several case studies, the data were cross-correlated with different air mass types - background continental, polluted continental, and maritime - that were advected to the sampling site. The results are the following: (1) Anthropogenic sources hundreds of kilometers upwind cause the small-particle (accumulation) mode number to increase from hundreds of thousands per cubic centimeter and the mass loading to increase from a few to several tens of micrograms per cubic meter, mostly in the form of sulfur aerosols. (2) A significant fraction of anthropogenic sulfur appears to act as cloud condensation nuclei (CCN) to affect the cloud drop concentration. (3) Clouds in Atlantic maritime air masses have cloud drop spectra that are markedly different from those measured in continental clouds. The drop concentration is significantly lower, and the drop size spectra are heavily skewed toward large drops. (4) Effects of anthropogenic pollutants on cloud water ionic composition are an increase of nitrate by a factor of 50, an increase of sulfate by more than one order of magnitude, and an increase of ammonium ion by a factor of 7. The net effect of the changes in ionic concentrations is an increase in cloud water acidity. An anion deficit even in maritime clouds suggests an unknown, possibly biogenic, source that could be responsible for a pH below neutral, which is frequently observed in nonpolluted clouds.

Pueschel, R. F.↗
NASA NTRS1993

Modified HNO3 seasonality in volcanic layers of a polar ice core - Snow-pack effect or photochemical perturbation?

Changes in atmospheric HNO3 chemistry following the Laki (1783), Tambora (1815), and Katmai (1912) volcanic eruptions are presently investigated in view of a central Greenland ice core's chemical composition. Attention is given to the concentration of several cations and anions, using ion chromatography. Following the eruptions, the ratio of winter to summer depositions of NO3(-) was significantly higher than during nonvolcanic periods. While this may be due to ice pack effects, it is proposed that large concentrations of the stratospheric H2SO4 particles ejected by the volcanoes favored HNO3 removal during Arctic winter.

Laj, Paolo↗
NASA NTRS1997

Ca(2+)-activated anion channels and membrane depolarizations induced by blue light and cold in Arabidopsis seedlings

The activation of an anion channel in the plasma membrane of Arabidopsis thaliana hypocotyls by blue light (BL) is believed to be a signal-transducing event leading to growth inhibition. Here we report that the open probability of this particular anion channel depends on cytoplasmic Ca2+ ([Ca2+]cyt) within the concentration range of 1 to 10 microM, raising the possibility that BL activates the anion channel by increasing [Ca2+]cyt. Arabidopsis seedlings cytoplasmically expressing aequorin were generated to test this possibility. Aequorin luminescence did not increase during or after BL, providing evidence that Ca2+ does not play a second-messenger role in the activation of anion channels. However, cold shock simultaneously triggered a large increase in [Ca2+]cyt and a 110-mV transient depolarization of the plasma membrane. A blocker of the anion channel, 5-nitro-2-(3-phenylpropylamino)-benzoic acid, blocked 61% of the cold-induced depolarization without affecting the increase in [Ca2+]cyt. These data led us to propose that cold shock opens Ca2+ channels at the plasma membrane, allowing an inward, depolarizing Ca2+ current. The resulting large increase in [Ca2+]cyt activates the anion channel, which further depolarizes the membrane. Although an increase in [Ca2+]cyt may activate anion channels in response to cold, it appears that BL does so via a Ca(2+)-independent pathway.

NASA Discipline Plant Biology↗
NASA NTRS1992

Spectral identification of chemisorbed CO2 and application to Mars analog materials

The goal of this work is to identify the spectral signature of chemisorbed CO2, to test the efficacy of carbonate formation on Mars-analog materials via CO2 chemisorption, and to identify the surface-chemical characteristics of good chemisorbents, with the intent of assessing the possible geochemical importance of CO2 chemisorption as a quasipermanent CO2 sink in the Martian environment. Our approach is to search for infrared spectral bands that result from chemisorption of CO2 molecules onto chemical reagents and Mars-analog materials, and to identify the salient differences in adsorbents that favor strong, permanent CO2 chemisorption. The total amount of CO2 in the early Martian atmosphere, and consequent surface temperatures, are unknown. A CO2 greenhouse may not have been an adequate mechanism under any circumstances; however, it if were, then most of that CO2 must still be in the near-surface environment; no escape mechanism that could remove it after the decline of channeling has been identified. The only plausible reservoir is carbonate, and there are various remote sensing techniques that can be used to search for it. We are investigating CO2 chemisorption as a permanent CO2 sink, and to aid in interpretation of remotely sensed IR spectra of Mars. A common effect reported in CO2 adsorption studies is the formation of a layer of carbonate or bicarbonate anions on adsorbents that have OH- groups available on their surfaces. Inorganic hydroxyls occur on phyllosilicates, amorphous silicates, metal oxides and hydroxides; it is the most abundant and reactive surface functional group on the surfaces of terrestrial silicates. The process responsible for the reaction is chemisorption. Chemisorption is distinguished from physical adsorption in that there is a transfer of electrons between species, and the formation of a chemical bond. The heat of chemisorption is typically of the same order as heats of chemical reaction (i.e., a few hundred to a few thousand kJ/mole), as opposed to heats of physical adsorption (a few kJ per mole). Chemisorption is an activated process that is promoted by an increase in temperature - quite the opposite of physical adsorption. Chemisorption is not reversible in the sense that physical adsorption is.

Zent, A. P.↗
NASA NTRS2009

Modeling Joule Heating Effect on Lunar O2 Generation via Electrolytic Reduction.

Kennedy Space Center is leading research work on lunar O2 generation via electrolytic reduction of regolith; the metal oxide present in the regolith is dissociated in oxygen anions and metal cations leading to the generation of gaseous oxygen at the anode and liquid metal at the cathode. Electrical resistance of molten regolith is high, leading to heating of the melt when electrical current is applied between the electrodes (Joule heating). The authors have developed a 3D model using a rigorous approach for two coupled physics (thermal and electrical potential) to not only study the effect of Joule heating on temperature distribution throughout the molten regolith but also to evaluate and optimize the design of the electrolytic cells. This paper presents the results of the thermal analysis performed on the model and used to validate the design of the electrolytic cell.

Dominquez, Jesus↗
NASA NTRS2012

NASA Tech Briefs, August 2012

Topics covered include: Mars Science Laboratory Drill; Ultra-Compact Motor Controller; A Reversible Thermally Driven Pump for Use in a Sub-Kelvin Magnetic Refrigerator; Shape Memory Composite Hybrid Hinge; Binding Causes of Printed Wiring Assemblies with Card-Loks; Coring Sample Acquisition Tool; Joining and Assembly of Bulk Metallic Glass Composites Through Capacitive Discharge; 670-GHz Schottky Diode-Based Subharmonic Mixer with CPW Circuits and 70-GHz IF; Self-Nulling Lock-in Detection Electronics for Capacitance Probe Electrometer; Discontinuous Mode Power Supply; Optimal Dynamic Sub-Threshold Technique for Extreme Low Power Consumption for VLSI; Hardware for Accelerating N-Modular Redundant Systems for High-Reliability Computing; Blocking Filters with Enhanced Throughput for X-Ray Microcalorimetry; High-Thermal-Conductivity Fabrics; Imidazolium-Based Polymeric Materials as Alkaline Anion-Exchange Fuel Cell Membranes; Electrospun Nanofiber Coating of Fiber Materials: A Composite Toughening Approach; Experimental Modeling of Sterilization Effects for Atmospheric Entry Heating on Microorganisms; Saliva Preservative for Diagnostic Purposes; Hands-Free Transcranial Color Doppler Probe; Aerosol and Surface Parameter Retrievals for a Multi-Angle, Multiband Spectrometer LogScope; TraceContract; AIRS Maps from Space Processing Software; POSTMAN: Point of Sail Tacking for Maritime Autonomous Navigation; Space Operations Learning Center; OVERSMART Reporting Tool for Flow Computations Over Large Grid Systems; Large Eddy Simulation (LES) of Particle-Laden Temporal Mixing Layers; Projection of Stabilized Aerial Imagery Onto Digital Elevation Maps for Geo-Rectified and Jitter-Free Viewing; Iterative Transform Phase Diversity: An Image-Based Object and Wavefront Recovery; 3D Drop Size Distribution Extrapolation Algorithm Using a Single Disdrometer; Social Networking Adapted for Distributed Scientific Collaboration; General Methodology for Designing Spacecraft Trajectories; Hemispherical Field-of-View Above-Water Surface Imager for Submarines; and Quantum-Well Infrared Photodetector (QWIP) Focal Plane Assembly.

Source record↗
NASA NTRS1986

Theoretical dissociation energies for ionic molecules

Ab initio calculations at the self-consistent-field and singles plus doubles configuration-interaction level are used to determine accurate spectroscopic parameters for most of the alkali and alkaline-earth fluorides, chlorides, oxides, sulfides, hydroxides, and isocyanides. Numerical Hartree-Fock (NHF) calculations are performed on selected systems to ensure that the extended Slater basis sets employed for the diatomic systems are near the Hartree-Fock limit. Extended Gaussian basis sets of at least triple-zeta plus double polarization equality are employed for the triatomic system. With this model, correlation effects are relatively small, but invariably increase the theoretical dissociation energies. The importance of correlating the electrons on both the anion and the metal is discussed. The theoretical dissociation energies are critically compared with the literature to rule out disparate experimental values. Theoretical (sup 2)Pi - (sup 2)Sigma (sup +) energy separations are presented for the alkali oxides and sulfides.

Langhoff, S. R.↗
NASA NTRS1997

Positive Anharmonicities: The Oxonide Anion as an Example

An accurate ab initio quartic force field for the ozonide anion has been determined at the singles and doubles coupled-cluster level of theory that includes a perturbational estimate of the effects of connected triple excitations, denoted CCSD(T), using the augmented valence triple-zeta correlation consistent one-particle basis set. Convergence of the harmonic frequencies with respect to the one-particle basis set has been demonstrated by computing quadratic force fields at the CCSD(T) level using augmented valence double-zeta and quadruple-zeta basis sets. Fundamental vibrational frequencies have been determined via second-order ro-vibrational perturbation theory and also using exact variational methods. Agreement is very good, and they both show that the antisymmetric O-O stretch, v 3, possesses a positive anharmonic correction (that is, the fundamental frequency is predicted to be higher in energy than the harmonic frequency). Comparison of the O_3 and O3 quartic force fields shows that the positive anharmonic correction is the result of a particularly large F3333 symmetry internal coordinate force constant. The reasonableness of this force constant has been tested by computing both F33 and F3333 at the CCSD, CCSD(T), and CASPT2 levels of theory. A discussion of known positive anharmonicities for stretching modes is presented.

Lee, Timothy J.↗
NASA NTRS1980

Advanced microbial check valve development

A flight certified assembly identified as a Microbial Check Valve (MCV) was developed and tested. The MCV is a canister packed with an iodinated anionic exchange resin. The device is used to destroy organisms in a water stream as the water passes through the device. The device is equally effective for fluid flow in either direction and its primary method of organism removal is killing rather than filtering. The MCV was successfully developed for the space shuttle to: disinfect fuel cell water; and prevent back contamination of the stored potable water supply. One version of the device consists of a high residual iodinated resin bed that imparts approximately 2 ppm of iodine to the fuel cell water as it flows to the potable water tanks. A second version of the device consists of a low residual iodinated resin bed. One of these low residual beds is located at each use port in the potable water system for the dual purpose of removing some iodine from the potable water as it is dispensed and also to prevent back contamination of the potable supply.

Colombo, G. V.↗
NASA NTRS1986

Presence, segregation and reactivity of H, C and N dissolved in some refractory oxides

The sources of impurities, particularly carbon, in high melting oxides and silicates are discussed, along with detection and quantification methods. The impurities are important for their effects on bulk material properties through the media of, e.g., surface or grain boundary characteristics. The impurities are usually encountered by the contact of the oxide (refractory) material with volatiles such as H2O and CO2, which become incorporated in the material and form anion complexes with oxygen acting as a covalent bonded ligand. The specific processes undergone by MgO in assimilating C impurities are delineated, using data obtained with X-ray photoelectron spectroscopy, Auger electron spectroscopy, secondary ion mass spectrometry and nuclear reaction profiling. Finally, maintenance of a supersaturated solid solution with C impurities by space charge control is described as a means of offset impurity effects.

Freund, F.↗