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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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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

H-N2 interaction energies, transport cross sections, and collision integrals

The energies for the interaction of a hydrogen atom with a nitrogen molecule have been calculated for large separation distances using a complete-active-space self-consistent-field/externally contracted configuration interaction method. H-N2 transport cross sections and collision integrals have been calculated using sudden approximations and a semiclassical description of the scattering. The values of these quantities are found to be close to the corresponding values determined from the average (isotropic) potential energy. The collision integrals are applied to determine diffusion and viscosity coefficients; the theoretical diffusion agrees well with the measured data available from experiments at low temperatures.

Stallcop, James R.↗
DOE OSTI2026

Carbon nanodot precursors enable ultrahigh-loading copper single-atom catalysts for oxygen reduction reaction

Single-atom catalysts (SACs) have attracted significant attention in electrocatalysis due to their high metal utilization and tunable electronic structures; however, their practical implementation is often limited by poor atomic dispersion, low metal loadings (typically < 1 wt%), and insufficient anchoring of single metal atoms on catalyst supports. Herein, we report a simple and versatile strategy to synthesize copper single-atom catalysts (Cu-SACs) with ultrahigh metal loading using citric-acid-derived carbon nanodots as metal-capturing precursors. Through hydrothermal treatment followed by pyrolysis in the presence of urea, atomically dispersed copper atoms coordinated with nitrogen are incorporated into a carbon framework, achieving a Cu loading of up to 20 wt% while maintaining atomic dispersion. Notably, a significant fraction of the copper single atoms exists as Cu+–N2 coordination, which provides under-coordinated and catalytically active sites. The resulting Cu-SAC exhibits promising oxygen reduction reaction (ORR) activity in alkaline media, delivering a limiting current density comparable to that of commercial 20 wt% Pt/C with a predominant four-electron reduction pathway. Despite this high intrinsic activity, durability tests reveal gradual performance degradation under prolonged electrochemical operation, which is attributed to demetallation and aggregation of copper single atoms into metallic nanoparticles. These results demonstrate the potential of carbon nanodot-based platforms for synthesizing high-loading SACs, while underscoring the critical need to simultaneously control carbon porosity and metal–nitrogen coordination to enhance active-site accessibility and durability.

Sharma, Prakhar [University of Kentucky]↗
NASA NTRS1985

N2(+) bound quartet and sextet state potential energy curves

The N2(+) potential energies have been determined from a complete active space self-consistent field calculation with active 2s and 2p electrons. A (6s 4p 3d 1f) Gaussian basis set was used together with additional higher angular momentum and diffuse functions. The calculated potential energy curves for the states 4Sigma(mu)(+), 4Pi(g), and 6Sigma(g)(+), for which there are no spectroscopic observations, are presented. The corresponding spectroscopic constants have been determined from a polynomial curve fit to the computed energies near the well minima and are shown. The 6Sigma(g)(+) state is found to be significantly bound, with a minimum at 1.72 A.

Partridge, H.↗
NASA NTRS2008

Saturn Magnetospheric Impact on Surface Molecular Chemistry and Astrobiological Potential of Enceladus

The active south polar surface of Enceladus is exposed to strong chemical processing by direct interaction with charged plasma and energetic particles in the local magnetospheric environment of this icy moon. Chemical oxidation activity is suggested by detection of H202 at the surface in this region and less directly by substantial presence of C02, CO, and N2 in the plume gases. Molecular composition of the uppermost surface, including ejecta from plume activity, is radiolytically transformed mostly by penetrating energetic electrons with lesser effects from more depleted populations of energetic protons. The main sources of molecular plasma ions and E-ring dust grains in the magnetospheric environment are the cryovolcanic plume emissions from Enceladus. These molecular ions and the dust grains are chemically processed by magnetospheric interactions that further impact surface chemistry on return to Enceladus. For example, H20 neutrals dominating the emitted plume gas return to the surface mostly as H30+ ions after magnetospheric processing. Surface oxidant loading is further increased by return of radiolytically processed ice grains from the E-ring. Plume frost deposition and micrometeoroid gardening protect some fraction of newly produced molecular species from destruction by further irradiation. The evident horizontal and vertical mobility of surface ices in the south polar region drive mixing of these processed materials into the moon interior with potential impacts on deep ice molecular chemistry and plume gas production. Similarly as suggested previously for Europa, the externally driven source of radiolytic oxidants could affect evolution of life in any subsurface liquid water environments of Enceladus.

Cooper, Paul D.↗
NASA NTRS1977

Annual variation in temperature and composition of the thermosphere and upper mesosphere

A three-dimensional circulation model, including UV (O2 dissociation) and EUV sources, is used to study the wind field and the effects of temperature and composition on annual thermospheric variations. The results are compared to those of OGO-6 and AE-C. Within an 800-1200 K temperature range, summer to winter temperature variation is studied as a function of solar activity. It is found that the model correctly predicts H, He, O, N2, O2, and Ar measurements. It is suggested that a small winter maximum in mesospheric temperature is caused by large-scale circulation induced by EUV heating. This effect, however, is masked by the energy released in O2 dissociation. The annual temperature amplitude and the winter oxygen bulge are noted to increase with increasing solar activity, whereas the winter helium bulge is noted to decrease with enhanced exospheric return flow. It is felt that the dependence of the F2 region winter anomaly on solar activity may be significantly affected by the solar activity effect in atomic oxygen.

Mayr, H. G.↗
NASA NTRS1975

Supersonic CO electric-discharge lasers

Laser modeling activity is described which involved addition of an option allowing N2 as a second diatomic gas. This option is now operational and a few test cases involving N2/CO mixtures were run. Results from these initial test cases are summarized. In the laboratory, a CW double-discharge test facility was constructed and tested. Features include: water-cooled removable electrodes, O-ring construction to facilitate cleaning and design modifications, increased discharge length, and addition of a post-discharge observation section. Preliminary tests with this facility using N2 yielded higher power loadings than obtained in the first-generation facility. Another test-section modification, recently made and as yet untested, will permit injection of secondary gases into the cathode boundary layer. The objective will be to vary and enhance the UV emission spectrum from the auxiliary discharge, thereby influencing the level of photoionization in the main discharge region.

Hason, R. K.↗
NASA NTRS1979

Dissociative recombination of N2/+/ in the ionosphere

N2(+) ion measurements are examined which were made with the Atmospheric Explorer-C satellite during a phase of solar activity in 1978 that was significantly higher than near the earlier minimum. It is found that the major source of N2(+) is photoionization, rather than charge exchange with O(+) (2D), and that the major loss process above 300 km is dissociative recombination with electrons. A data sample for which the electron temperature (T sub e) covered the range from 1000 to 3400 K is used to evaluate the rate constant, alpha, for the dissociative-recombination process. The results show good agreement with laboratory measurements given by the expression: alpha = 1.8 x 10 to the -7th (T sub e/300) to the -0.39th cu cm/sec.

Torr, M. R.↗
NASA NTRS1989

Ion-implanted high microwave power indium phosphide transistors

Encapsulated rapid thermal annealing (RTA) has been used in the fabrication of InP power MISFETs with ion-implanted source, drain, and active-channel regions. The MISFETs had a gate length of 1.4 microns. Six to ten gate fingers per device, with individual gate finger widths of 100 or 125 microns, were used to make MISFETs with total gate widths of 0.75, 0.8, or 1 mm. The source and drain contact regions and the channel region of the MISFETs were fabricated using Si implants in InP at energies from 60 to 360 keV with doses of (1-560) x 10 to the 12th/sq cm. The implants were activated using RTA at 700 C for 30 sec in N2 or H2 ambients using an Si3N4 encapsulant. The high-power high-efficiency MISFETs were characterized at 9.7 GHz, and the output microwave power density for the RTA conditions used was as high as 2.4 W/mm. For a 1-W input at 9.7 GHz gains up to 3.7 dB were observed, with an associated power-added efficiency of 29 percent and output power density 70 percent greater than that of GaAs MESFETs.

Biedenbender, Michael D.↗
NASA NTRS1990

Evolutionary Space Station fluids management

The demand for and management issues associated with fluids usage at the evolutionary Space Station are examined. A variety of fluids such as N2, He, methane and rare gases for research and development activities as well as massive quantities of cryogenic propellants for geosynchronous orbit and planetary exploration missions will need to be accommodated at the Space Station. A data base of fluid types, quantities, and projected usage schedules suggested, and potential accommodation concepts defined. Impacts to the Space Station operational configuration and necessary 'hooks and scars' to be included in the baseline design are addressed. Also presented is an operational scenario of the delivery of a cryogenic propellant tank set to the Space Station, attachment to the Space Station, and propellant transfer to and launch of a space transfer vehicle (STV). Results indicate that the cryogenic propellant requirements of STV and lunar missions may be met by tank sets attached to the Space Station, but those of Mars missions would require off-station methods.

Stevenson, Steve↗
NASA NTRS2002

Interactive effect of hypoxia and otolith organ engagement on cardiovascular regulation in humans

We determined the interaction between the vestibulosympathetic reflex and the arterial chemoreflex in 12 healthy subjects. Subjects performed three trials in which continuous recordings of muscle sympathetic nerve activity (MSNA), mean arterial blood pressure (MAP), heart rate (HR), and arterial oxygen saturation were obtained. First, in prone subjects the otolith organs were engaged by use of head-down rotation (HDR). Second, the arterial chemoreflex was activated by inspiration of hypoxic gas (10% O2 and 90% N2) for 7 min with HDR being performed during minute 6. Third, hypoxia was repeated (15 min) with HDR being performed during minute 14. HDR [means +/- SE; increase (Delta)7 +/- 1 bursts/min and Delta50 +/- 11% for burst frequency and total MSNA, respectively; P < 0.05] and hypoxia (Delta6 +/- 2 bursts/min and Delta62 +/- 29%; P < 0.05) increased MSNA. Additionally, MSNA increased when HDR was performed during hypoxia (Delta11 +/- 2 bursts/min and Delta127 +/- 57% change from normoxia; P < 0.05). These increases in MSNA were similar to the algebraic sum of the individual increase in MSNA elicited by HDR and hypoxia (Delta13 +/- 1 bursts/min and Delta115 +/- 36%). Increases in MAP (Delta3 +/- 1 mmHg) and HR (Delta19 +/- 1 beats/min) during combined HDR and hypoxia generally were smaller (P < 0.05) than the algebraic sum of the individual responses (Delta5 +/- 1 mmHg and Delta24 +/- 2 beats/min for MAP and HR, respectively; P < 0.05). These findings indicate an additive interaction between the vestibulosympathetic reflex and arterial chemoreflex for MSNA. Therefore, it appears that MSNA outputs between the vestibulosympathetic reflex and arterial chemoreflex are independent of one another in humans.

NASA Discipline Neuroscience↗
NASA NTRS1985

N(+)-N long-range interaction energies and resonance charge exchange

The aerothermodynamic studies of proposed space missions require atmospheric charge-transfer data. N2(+) eigenstate energies are calculated with use of the complete-active-space self-consistent-field method with an extended Gaussian basis set. The N(+)-N charge-exchange cross section, determined from these energies, agrees with merged-beam measurements. This contradicts the previous theoretical conclusion. A simple physical description of the long-range interaction is presented and should expedite future charge-transfer studies.

Stallcop, J. R.↗
NASA NTRS2004

Comparison of Carbon Dioxide and Helium as Fire Extinguishing Agents for Spacecraft

The effects of radiation heat transfer in microgravity compared to convection heat transfer in earth gravity for opposed-flow (downward) over thermally-thick fuel using low density foam fuel were investigated. Microgravity experiments on flame spread over thermally-thick fuels were conducted using foam fuels to obtain low density and thermal conductivity, and thus large flame spread rate compared to dense fuels such as PMMA. And thereby valid microgravity results were obtained even in 2.2 second drop-tower experiments not to mention for the longer duration tests in Zero Gravity Facility. Contrast to the conventional understanding, it was found that steady flame spread can occur over thick fuels in quiescent microgravity environments, especially when radiatively-active diluent gases such as CO2 were employed. This is proposed to result from radiative heat transfer from the flame to the fuel surface, which could lead to steady spread even when the amount of the heat transfer via conduction from the flame to the fuel bed is negligible. Radiative effects are more significant at microgravity conditions because the flame is thicker and thus the volume of radiating combustion products is larger as well. These results suggested that helium may be a better inert or extinguishment agent on both a mass and a mole bases at microgravity even though CO2 is much better on a mole bases at earth gravity, and these are relevant to studies of fire safety in manned spacecraft, particularly the International Space Station that uses CO2 fire extinguishers. CO2 may not be as effective as an extinguishing agent at g as it is at earth gravity in some conditions because of the differences in spread mechanisms between the two cases. In particular, the difference between conduction-dominated heat transport to the fuel bed at earth gravity and radiation-dominated heat transport at g indicates that radiatively-inert diluent such as helium could be preferable in g applications. Helium may be a superior fire suppression agent at g on several bases. First, helium is more effective than CO2 on a mole basis (thus pressure times storage volume basis) at g, meaning that the size and weight of storage bottles would be smaller for the same fire-fighting capability. Second; helium is much more effective on a mass basis (by about 11 times) at g. Third; helium has no physiological activity, unlike CO2 that affects human respiration. Fourth, as compared to N2 or CO2, is not very soluble in water and thus has fewer tendencies to cause bloodstream bubble formation following rapid spacecraft cabin depressurization.

Gokoglu, Suleyman↗
NASA NTRS2004

Comparison of Carbon Dioxide and Helium as Fire Extinguishing Agents for Spacecraft

The effects of radiation heat transfer in microgravity compared to convection heat transfer in earth gravity for opposed-flow (downward) over thermally-thick fuel using low density foam fuel were investigated. Microgravity experiments on flame spread over thermally-thick fuels were conducted using foam fuels to obtain low density and thermal conductivity, and thus large flame spread rate compared to dense fuels such as PMMA. And thereby valid microgravity results were obtained even in 2.2 second drop-tower experiments not to mention for the longer duration tests in Zero Gravity Facility. Contrast to the conventional understanding, it was found that steady flame spread can occur over thick fuels in quiescent microgravity environments, especially when radiatively-active diluent gases such as CO2 were employed. This is proposed to result from radiative heat transfer from the flame to the fuel surface, which could lead to steady spread even when the amount of the heat transfer via conduction from the flame to the fuel bed is negligible. Radiative effects are more significant at microgravity conditions because the flame is thicker and thus the volume of radiating combustion products is larger as well. These results suggested that helium may be a better inert or extinguishment agent on both a mass and a mole bases at microgravity even though CO2 is much better on a mole bases at earth gravity, and these are relevant to studies of fire safety in manned spacecraft, particularly the International Space Station that uses CO2 fire extinguishers. CO2 may not be as effective as an extinguishing agent at microgravity as it is at earth gravity in some conditions because of the differences in spread mechanisms between the two cases. In particular, the difference between conduction-dominated heat transport to the fuel bed at earth gravity and radiation-dominated heat transport at microgravity indicates that radiatively-inert diluent such as helium could be preferable in microgravity applications. Helium may be a superior fire suppression agent at microgravity on several bases. First, helium is more effective than CO2 on a mole basis (thus pressure times storage volume basis) at microgravity, meaning that the size and weight of storage bottles would be smaller for the same fire-fighting capability. Second; helium is much more effective on a mass basis (by about 11 times) at microgravity. Third; helium has no physiological activity, unlike CO2 that affects human respiration. Fourth, as compared to N2 or CO2, is not very soluble in water and thus has fewer tendencies to cause bloodstream bubble formation following rapid spacecraft cabin depressurization.

Gokoglu, Suleyman↗
NASA NTRS1995

Modeling of a possible conformational change associated with the catalytic mechanism in the hammerhead ribozyme

Here we describe a possible model of the cleavage mechanism in the hammerhead ribozyme. In this model, the 2' hydroxyl of C17 is moved into an appropriate orientation for an in-line attack on the G1.1 phosphate through a change in its sugar pucker from C3' endo to C2' endo. This conformational change in the active site is caused by a change in the uridine turn placing the N2 and N3 atoms of G5 of the conserved core in hydrogen bonding geometry with the N3 and N2 atoms on the conserved G16.2 residue. The observed conformational change in the uridine turn suggests an explanation for the conservation of G5. In the crystal structure of H.M. Pley et al., Nature 372, 68-74 (1994), G5 is situated 5.3A away from G16.2. However, the uridine turn is sufficiently flexible to allow this conformational change with relatively modest changes in the backbone torsion angles (average change of 14.2 degrees). Two magnesium ions were modeled into the active site with positions analogous to those described in the functionally similar Klenow fragment 3'-5' exonuclease (L.S. Beese and T.A. Steitz, EMBO J. 10, 25-33 (1991)), the Group I intron (T.A. Steitz and J.A. Steitz, P.N.A.S. U.S.A. 90, 6498-6502 (1993); R.F. Setlik et al., J. Biomol. Str. Dyn. 10, 945-972 (1993)) and other phosphotransferases. Comparison of this model with one in which the uridine turn conformation was not changed showed that although the changes in the C17 sugar pucker could be modeled, insufficient space existed for the magnesium ions in the active site.

Non-NASA Center↗
NASA NTRS2001

Theoretical Studies of Possible Synthetic Routes for the High Energy Density Material Td N4: Excited Electronic States

Vertical electronic excitation energies for single states have been computed for the high energy density material (HEDM) Td N4 in order to assess possible synthetic routes that originate from excited electronic states of N2 molecules. Several ab initio theoretical approaches have been used, including complete active space self-consistent field (CASSCF), state averaged CASSCF (SA-CASSCF), singles configuration interaction (CIS), CIS with second-order and third-order correlation corrections [CIS(D)) and CIS(3)], and linear response singles and doubles coupled-cluster (LRCCSD), which is the highest level of theory employed. Standard double zeta polarized (DZP) and triple zeta double polarized (TZ2P) one-particle basis sets were used. The CASSCF calculations are found to overestimate the excitation energies, while the SA-CASSCF approach rectifies this error to some extent, but not completely. The accuracy of the CIS calculations varied depending on the particular state, while the CIS(D), CIS(3), and LRCCSD results are in generally good agreement. Based on the LRCCSD calculations, the lowest six excited singlet states are 9.35(l(sup)T1), 10.01(l(sup)T2), 10.04(1(sup)A2), 10.07(1(sup)E), 10.12(2(sup)T1), and 10.42(2(sup)T2) eV above the ground state, respectively. Comparison of these excited state energies with the energies of possible excited states of N2+N2 fragments, leads us to propose that the most likely synthetic route for Td N4 involving this mechanism arises from combination of two bound quintet states of N2.

Lee, Timothy J.↗
NASA NTRS1988

Dependence of rate constants on vibrational temperatures - An Arrhenius description

An interpretation of the variation of rate constants with vibrational temperature is proposed which introduces parameters analogous to those of the classical Arrhenius expression. The constancy of vibrational activation energy is studied for the dissociaton of NO, the ion-molecular reaction of O(+) with N2, and the atom exchange reaction of I with H2. It is found that when a Boltzmann distribution for vibrational states is applicable, the variation of the rate constant with the vibrational temperature can be used to define a vibrational activation energy. The method has application to exchange reactions where a vibrational energy threshold exists.

Ford, D. I.↗
NASA NTRS1981

Spectroscopy of the extreme ultraviolet dayglow during active solar conditions

The spectral characteristics of the mid-latitude daytime airglow observed between 530 and 1500 A under conditions of high solar activity are compared with those obtained at the same location during markedly lower solar activity. The spectral observations were made by two scanning spectrometers and an N2 3371 A photometer carried aboard Astrobee-F rockets launched from White Sands Missile Range, NM, on January 9, 1978 and June 27, 1980. The more recent data allow the partial resolution of the emission spectrum between 800 and 1200 A into a large number of weak N I, O I and N2 transitions. Data taken at 220 km altitude suggest an increase in atomic nitrogen density of more than a factor of 3 between the two observations, along with a doubling of the solar EUV flux at wavelengths less than 688 A. No evidence of a corresponding increase in the 10 to 50 eV photoelectron flux is found, however, an ionospheric sounding data indicate the peak electron density to have decreased during this period. The mechanism for this electron flux decrease in the face of increased EUV flux and only a three-fold increase in N concentration remains unknown.

Gentieu, E. P.↗