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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Probing the Reverse Shock in an Oxygen-Rich Supernova Remnant

The aim of this proposal was to examine the O VI emission at three positions around the X-ray bright ring of the remnant in order to investigate the relation between the O VI emission, the X-ray O VII and O VIII emission, and the optical [O III] emission, and how these vary around the rim of the remnant. So far, only one Far Ultraviolet Spectroscopic Explorer (FUSE) pointing at the remnant has been performed, together with the background pointing needed to subtract the diffuse scattered light from nearby O stars. The data were recalibrated using the CalFUSE calibration pipeline, but the emission is faint enough that hand processing will be needed for this pointing to optimize the extraction. Rereduction of the data is underway. A postdoctoral fellow has also been hired, and in part she will assist with the analysis.

Sonneborn, George↗
DOE OSTI2026

Translating Fundamental Insights into Ag-Based Bimetallic Electrocatalysts to Anion-Exchange Membrane Fuel Cells

To address challenges of high costs and scalability for fuel cells, it is essential to develop af-fordable and earth-abundant materials that are Pt-group-metal (PGM)-free. Recent advance-ments in PGM-free electrocatalysis for the oxygen reduction reaction (ORR) in alkaline media show that high catalyst loadings are needed to achieve high reaction rates; however, there are associated mass transport limitations. To address this issue, we develop low-loading ionomer-less Ag-bimetallic thin films by alloying with 3d block elements or Sn. We bridge knowledge from fundamental rotating disk electrode (RDE) studies to gas-diffusion cathodes in high-temperature anion-exchange membrane fuel cells (HT-AEMFCs), resulting in high-activity ORR catalysis and peak power densities up to 1.2 W cm-² geo for the Ag-Sn and Ag-Co alloys. Here, experimental post-characterization and theoretical calculations reveal small Co or Sn oxide nano-islands on Ag as likely active sites enhancing ORR activity, ultimately offering these low-loading PGM-free ORR materials as a viable path towards sustainable energy conversion.

Catalysts↗
NASA NTRS1973

Vertical distribution of vibrational energy of molecular nitrogen in a stable auroral red arc and its effect on ionospheric electron densities

Previous solutions of the problem of the distribution of vibrationally excited molecular nitrogen in the thermosphere have either assumed a Boltzmann distribution and considered diffusion as one of the loss processes or solved for the energy level populations and neglected diffusion. Both of the previous approaches are combined by solving the time dependent continuity equations, including the diffusion process, for the first six energy levels of molecular nitrogen for conditions in the thermosphere corresponding to a stable auroral red arc. The primary source of molecular nitrogen excitation was subexcitation, and inelastic collisions between thermal electrons and molecular nitrogen. The reaction rates for this process were calculated from published cross section calculations. The loss processes for vibrational energy were electron and atomic oxygen quenching and vibrational energy exchange. The coupled sets of nonlinear, partial differential equations were solved numerically by employing finite difference equations.

Newton, G. P.↗
NASA NTRS1984

Magnetosphere, Rings, and Moons of Uranus

The observation of an ultraviolet aurora on Uranus implies the existence of a magnetosphere. It is suggested that the magnetospheres of Uranus and Saturn may be very similar. Charged particle sputtering of water ice surfaces on the Uranian moons may maintain an oxygen ion plasma torus similar to the heavy ion plasma torus at Saturn. Atmospheric cosmic ray albedo neutron decay may sustain an inner radiation belt with omnidirectional proton fluxes. If the 100 keV ion fluxes near 7 RU are similar to Saturnian ion fluxes at such energies, the Uranian aurora may be maintained by ion precipitation from the radiation belts at nearly the strong diffusion rate. This mechanism predicts comparable aurorae over both magnetic poles of Uranus, in contrast with the Faraday disc dynamo mechanism, which powers an aurora only over the sunlit pole of uranus. If, however, the 100 kev ion fluxes at Uranus are comparable to those at Saturn, any exposed methane ice surfaces on the moons and rings of Uranus would be quickly transformed by ion impacts to a black, carbonaceous polymer.

Cheng, A. F.↗
NASA NTRS1996

The Effects of Flame Structure on Extinction of CH4-O2-N2 Diffusion Flames

The effects of flame structure on the extinction limits of CH4-O2-N2 counterflow diffusion flames were investigated experimentally and numerically by varying the stoichiometric mixture fraction Z(sub st), Z(sub st) was varied by varying free-stream concentrations, while the adiabatic flame temperature T(sub ad) was held fixed by maintaining a fixed amount of nitrogen at the flame. Z(sub st) was varied between 0.055 (methane-air flame) and 0.78 (diluted- methane-oxygen flame). The experimental results yielded an extinction strain rate K(sub ext) of 375/s for the methane-air flame, increasing monotonically to 1042/s for the diluted-methane-oxygen flame. Numerical results with a 58-step Cl mechanism yielded 494/s and 1488/s, respectively. The increase in K(sub ext) with Z(sub st) for a fixed T(sub ad) is explained by the shift in the O2 profile toward the region of maximum temperature and the subsequent increase in rates for chain-branching reactions. The flame temperature at extinction reached a minimum at Z(sub st) = 0.65, where it was 200 C lower than that of the methane-air flame. This significant increase in resistance to extinction is seen to correspond to the condition in which the OH and O production zones are centered on the location of maximum temperature.

Du, J.↗
DOE OSTI2025

Biobased Poly(dodecylene Furanoate) with Inherent Advantages in Performance and Circularity

Biobased polymers are gaining traction toward more sustainable flexible-film packaging, yet overcoming trade-offs between their performance properties and end-of-life (EoL) options still remains a challenge. Here, it is shown that biobased poly(dodecylene 2,5-furanoate) (PDDF), synthesized via both step-growth polycondensation and chain-growth ring-opening polymerization methods, exhibits advantages not only in gas barrier properties but also in EoL options due to its biodegradability and closed-loop chemical circularity. Specifically, PDDF displays significantly lower oxygen and carbon dioxide permeability than commercial poly(butylene adipate-co-terephthalate) (PBAT) and linear low-density polyethylene , alongside a markedly higher modulus (by ≈3 ×) and reduced water vapor transmission rate compared to PBAT. This superior performance is attributed to the inherently rigid, polar, H-bonding furan rings that enhance chain interaction, packing and crystallinity and thus reduce free volume impeding gas diffusion, while the long hydrophobic dodecylene segments inhibit water permeation. Furthermore, PDDF can be recycled back to its cyclic monomer by base-catalyzed depolymerization or diester and diol monomers by simple methanolysis. These superior barrier properties, coupled with biodegradation and closed-loop circularity, highlight the potential of the biobased PDDF as a more sustainable alternative for packaging.

Poly(dodecylene 2,5-furanoate) (PDDF)↗
DOE OSTI2021

Conversion of Formic Acid on Single- and Nano-Crystalline Anatase TiO 2 (101)

Understanding thermochemical transformations of formic acid (FA) on metal oxide surfaces is important for many catalytical reactions. Here we study thermally induced reactions of FA on a single-crystalline and nanocrystalline anatase TiO 2 (101). We employ a combination of scanning tunneling microscopy (STM), temperature-programmed desorption (TPD), infrared reflection absorption spectroscopy (IRAS), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and density functional theory (DFT) to follow the FA surface intermediates and reaction products above room temperature. We find that the primary reaction products desorbing at about 300, 480, and 515 K are molecular water, carbon monoxide, and formaldehyde, respectively. Bidentate (BD) formate and bridging hydroxyl (HO b ) are identified as central intermediates in the FA transformations. Bridging oxygen vacancies (V O ) are also likely participants despite their low stability at the surface. In conclusion, the parallel studies on single crystals and faceted TiO 2 (101) nanoparticles reveal the spectroscopic commonalities of surface species and of the thermal conversion of molecular and deprotonated forms of FA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Transport properties of ground state oxygen atoms

The transport properties of dilute monatomic gases depend on the two-body interactions between like atoms. When two ground-state oxygen atoms interact, they can follow any of 18 potential energy curves corresponding to O2, all of which contribute to the transport properties of the ground-state atoms. Transport collision integrals have been calculated for those interactions with an attractive minimum in the potential, and repulsive ab initio potential-energy curves have been accurately represented. Results are given for viscosity, thermal conductivity, and diffusion and they are compared with previous theoretical calculations.

Holland, Paul M.↗
NASA NTRS1981

Non-equilibrium ionization in the transition region network

The consequences of the persistent downflow of material within the supergranule network of the sun are examined. An accepted temperature model and two models of velocity fields are used to determine the ion distributions of carbon, nitrogen, and oxygen throughout the transition region and to compare them with equilibrium distributions. Attention is given to how the temperature model must be modified in order to reconcile the computed line intensities with observed intensities; it is shown that a small temperature gradient, and possibly a different pressure distribution, are required. It is demonstrated that the observed downflow is probably adequate to overcome the tendency for thermal diffusion to establish concentration gradients; thus the downflow keeps the atmosphere well mixed.

Francis, M. H.↗
NASA NTRS1985

The 1973-1984 Solar Modulation of Cosmic Ray Nuclei

As a continuation of the program of solar modulation studies, new measurements were carried out with the cosmic ray telescope on the Earth satellite IMP-8, of the intensity time variations and the energy spectra of galactic cosmic ray protons, helium, carbon and oxygen from 1980 through 1984 including the recent solar maximum. In order to test the applicability of a steady state model of solar modulation during a period which includes times of rapidly changing modulation, these fluxes were equated with the predictions of a conventional model of solar modulation which assumes equilibrium between modulation mechanisms. It is found that for a reasonable range of variations of the diffusion coefficient the model predictions can be made to agree with the measurements at essentially all times during the studied period. The model can account also for the observed hysteresis effects between cosmic rays of different rigidities.

Garcia-Munoz, M.↗
NASA NTRS2016

Preferential Heating of Oxygen 5+ Ions by Finite-Amplitude Oblique Alfven Waves

Minor ions in the fast solar wind are known to have higher temperatures and to flow faster than protons in the interplanetary space. In this study we combine previous research on parametric instability theory and 2.5D hybrid simulations to study the onset of preferential heating of Oxygen 5+ ions by large-scale finite-amplitude Alfven waves in the collisionless fast solar wind. We consider initially non-drifting isotropic multi-species plasma, consisting of isothermal massless fluid electrons, kinetic protons and kinetic Oxygen 5+ ions. The external energy source for the plasma heating and energization are oblique monochromatic Alfven-cyclotron waves. The waves have been created by rotating the direction of initial parallel pump, which is a solution of the multi-fluid plasma dispersion relation. We consider propagation angles theta less than or equal to 30 deg. The obliquely propagating Alfven pump waves lead to strong diffusion in the ion phase space, resulting in highly anisotropic heavy ion velocity distribution functions and proton beams. We discuss the application of the model to the problems of preferential heating of minor ions in the solar corona and the fast solar wind.

Maneva, Yana G.↗
DOE OSTI2022

Densification of the entropy stabilized oxide (Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 )O

The first entropy-stabilized oxide, (Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 )O, was reported in 2015. Initial studies synthesized this material using solid state processing and were limited to densities < 80%. Here, we report a straightforward solid state route to sinter samples to densities up to 98% of the theoretical by identifying the role of oxygen and promoting the resulting mechanisms in densification. Previous works have studied effects of cation stoichiometry on the entropy-driven reaction to form a single phase, but few have explored the associated effects of anion stoichiometry and/or redox chemistry on both phase stability and densification. We demonstrate here that tuning heating rate and pO 2 during heating of initially-homogeneous calcined powders can enhance densifying diffusion processes and enable reliable sintering of dense (Mg 0.2 Co 0.2 Ni 0.2 Cu 0.2 Zn 0.2 )O samples.

MATERIALS SCIENCE↗
DOE OSTI2021

Mechanistic Understanding of Methane Combustion over Ni/CeO 2 : A Combined Experimental and Theoretical Approach

Catalytic oxidation of methane (CH 4 ) over nonprecious Ni/CeO 2 catalysts has received a lot of attention due to the large natural gas reserves found in North America and the prohibitive cost of palladium-based catalysts, commonly used for CH 4 oxidation. However, the catalytic mechanism of CH 4 oxidation over Ni/CeO 2 still remains unclear. Moreover, the parameters affecting the reaction rates, the interaction between nickel and CeO 2 , and the reaction intermediates are still not well understood. In this study, kinetic model fitting, CH 4 temperature-programmed reduction-mass spectroscopy (CH 4 TPR-MS), in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), and density functional theory (DFT) calculations were combined to elucidate the mechanism of complete oxidation of CH 4 over Ni/CeO 2 . CH 4 TPR-MS showed that the complete oxidation of CH 4 over Ni/CeO 2 requires 55–120 °C lower compared to bare CeO 2 or Ni/quartz sand; complete oxidation of CH 4 took place when the surface oxygen species were abundant, while partial oxidation products (CO, H 2 ) were formed when the oxygen species were depleted. In situ DRIFTS showed that CH 3 , CH 2 , CO, and CO 2 were formed after CH 4 activation over Ni/CeO 2 , while CH 3 O species were not observed. Combining those findings with kinetic model fitting, a redox Mars–van Krevelen (MvK) mechanism showed the best description of the experimental observations. The MvK mechanism involves the reaction of dissociated oxygen species with gas-phase CH 4 while water inhibits the reaction rate by adsorbing on the oxidized sites. Moreover, CH 4 activation leads to the reduction of the active sites and oxygen vacancy formation followed by reoxidation of the active sites by gas-phase O 2 . A CH 4 oxidation reaction pathway over Ni/CeO 2 is proposed by DFT calculations. In summary, the findings shown here suggest that CH 4 oxidation over Ni/CeO 2 follows a redox MvK mechanism and provides guidance for the rational design of non-precious-metal catalysts for CH 4 oxidation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Promotional Effect of ZnO and ZrO 2 in K-Doped Fe Catalysts for CO 2 Hydrogenation to Light Olefins

Promoters play a critical role in tuning the activity and selectivity of Fe catalysts in CO 2 hydrogenation to produce light olefins, which are key building blocks in the petrochemical industry. Herein, by a combined experimental and theoretical approach, we show that high and stable performance of Fe catalysts could be achieved by taking advantage of the promotional effect of both Zn and Zr. Structural characterization indicates that ZnO could improve the dispersion and reducibility of Fe oxides and facilitate the formation of active Fe carbide species, whereas ZrO 2 could stabilize the structure and catalytic performance, especially the selectivity of hydrocarbon products. In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments suggest that carbonate, bicarbonate, formate, and methoxy are essential intermediates in the CO 2 hydrogenation to hydrocarbon products, including paraffins and olefins. The conversion kinetics of each intermediate species are dependent on the type of promoters as well as the phase structure of the active Fe species. DFT calculations revealed a strong correlation between the formation energy of surface oxygen vacancies and that of Fe carbide species in promoted Fe oxides, in accordance with experimental results. Moreover, the calculated energy profiles of CO 2 hydrogenation over different catalysts indicate that Zn could promote the activation of CO 2 and its transformation to the oxygenate intermediates, while Zr could facilitate the conversion of oxygenates to hydrocarbon precursors. Finally, the discrepancies in the evolution trend of various intermediate species on promoted Fe catalysts in the transient DRIFTS experiments can be rationalized by the differences in energy barriers of elementary or rate limiting steps.

CO2 conversion↗
DOE OSTI2025

What Makes Au Nanospheres Superior to Octahedral and Cubic Counterparts for the Deposition of a Pt Monolayer Shell?

This study demonstrates that Au nanospheres are advantageous over their octahedral and cubic counterparts as seeds in the synthesis of Au@Pt core−shell nanocrystals with a monolayer shell. In combination with experimental characterization, we show through training a machine-learned interatomic potential that the Au nanospheres exhibit a large fraction of lowcoordination atoms which are uniformly distributed over the surface. The corresponding high-index facets, including {211}, {311}, {331}, {210}, and {310}, on a spherical seed promote nucleation while greatly shortening the diffusion distance for adatoms. In addition, the high-index facets are instrumental in retaining the deposited Pt atoms on the outermost surface by retarding their inter-diffusional exchange with the underlying Au atoms. By switching from a monolayer made of pure Pt to those made of Pt−Au alloys, we can optimize both the activity and selectivity of the nanocrystals toward the two-electron oxygen reduction reaction for the electrochemical synthesis of H 2 O 2 . This method should be extendible to the fabrication of other core−shell nanocatalysts with desired monolayer shells for various catalytic reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The role of water vapor during the synthesis of hydrogen doped In 2 O 3

Hydrogen-doped In 2 O 3 synthesized using magnetron sputtering or atomic layer deposition in the presence of water vapor has high transparency in the near infra-red region and mobility values that are almost three to four times of those in commercially used In 2 O 3 :Sn at a much lower carrier concentration. However, simple questions like what happens when water molecules enter In 2 O 3 or why the dominant charge carrier changes from an oxygen vacancy in In 2 O 3 :Sn to H + in In 2 O 3 are not clear. Using hybrid functional based density functional theory calculations, in this study we show that water molecules spontaneously split into H + and OH – . The H + interstitial bonds with an oxygen in In 2 O 3 , and the OH – interstitial occupies a vacant lattice site or is trapped by an oxygen vacancy. Thus, in agreement with experimental findings, our results suggest that the concentration of oxygen vacancies decreases as the partial pressure of water increases. The charge transition level, ϵ ( – / + ) , of a hydrogen interstitial and the Fermi level at which the formation energies of OH – and H + are equal lie above the conduction band minimum, suggesting that the H + interstitial has a lower formation energy. In addition, water molecules do not exhibit any propensity to form clusters, meaning that H + ions can diffuse and remain spatially separated from each other.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evaluating the effects of structural disorder on the magnetic properties of Nd 2 Zr 2 O 7

Motivated by the variation in reported lattice parameters of floating-zone-grown Nd 2 Zr 2 O 7 crystals, we have performed a detailed study of the relationship between synthesis environment, structural disorder, and magnetic properties. Using a combination of polycrystalline standards, electron-probe microanalysis, and scattering techniques, we show that crystals grown under atmospheric conditions have a reduced lattice parameter relative to pristine polycrystalline powders due to occupation of the Nd site by excess Zr (i.e., negative stuffing). In contrast, crystals grown under high-pressure Ar are nearly stoichiometric with an average lattice parameter approaching the polycrystalline value. While minimal disorder of the oxygen sublattices is observed on the scale of the average structure, neutron pair-distribution function analysis indicates a highly local disorder of the oxygen coordination, which is only weakly dependent on growth environment. Most importantly, our magnetization, heat capacity, and single-crystal neutron scattering data show that the magnetic properties of crystals grown under high-pressure Ar match closely with those of stoichiometric powders. Neutron scattering measurements reveal that the signature of magnetic moment fragmentation—the coexistence of all-in-all-out (AIAO) magnetic Bragg peaks and diffuse pinch-point scattering due to spin-ice correlations–persists in these nearly stoichiometric crystals. However, in addition to an increased AIAO transition temperature, the diffuse signal is seemingly stabilized and remains nearly unchanged upon warming to 800 mK. This behavior indicates that both the AIAO magnetic order and spin-ice correlations are sensitive to deviations of the Nd stoichiometry.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Low velocity opposed-flow frame spread in a transport-controlled environment DARTFire

The overall objectives of the DARTFire project are to uncover the underlying physics and increase understanding of the mechanisms that cause flames to propagate over solid fuels against a low velocity of oxidizer flow in a low-gravity environment. Specific objectives are (1) to analyze experimentally observed flame shapes, measured gas-phase field variables, spread rates, radiative characteristics, and solid-phase regression rates for comparison with previously developed model prediction capability that will be continually extended, and (2) to investigate the transition from ignition to either flame propagation or extinction in order to determine the characteristics of those environments that lead to flame evolution. To meet the objectives, a series of sounding rocket experiments has been designed to exercise several of the dimensional, controllable variables that affect the flame spread process over PMMA in microgravity, i.e., the opposing flow velocity (1-20 cm/s), the external radiant flux directed to the fuel surface (0-2 W/cm(exp 2)), and the oxygen concentration of the environment (35-70%). Because radiative heat transfer is critical to these microgravity flame spread experiments, radiant heating is imposed, and radiant heat loss will be measured. These are the first attempts at such an experimental control and measurement in microgravity. Other firsts associated with the experiment are (1) the control of the low velocity, opposed flow, which is of the same order as diffusive velocities and Stefan flows; (2) state-of-the-art quantitative flame imaging for species-specific emissions (both infrared and ultraviolet) in addition to novel intensified array imaging to obtain a color image of the very dim, low-gravity flames.

West, Jeff↗