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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Phosphorene‐Supported Transition‐Metal Dimer for Effective N 2 Electroreduction

Abstract The electrochemical reduction of N 2 to NH 3 at ambient conditions is a promising alternative to the energy‐intensive, high‐temperature, high‐pressure Haber‐Bosch process. But it is extremely challenging to find an electrocatalyst that can effectively activate N 2 and reduce it to NH 3 . From first principles density functional theory, we found that the Ti dimer supported on single‐layer phosphorene can be used as a promising electrocatalyst for N 2 capture and conversion to NH 3 . The overpotential (relative to the standard hydrogen electrode) was found to be as low as 0.20, much lower than those predicted on the Ti surface (1 to 1.5 V) or their nitrides (0.5 to 1 V). In addition, we found that hydride is involved in the N 2 reduction on the Ti dimer catalyst via formation of Ti 2 ‐H species, and the hydride would favorably transfer onto the adsorbed N 2 * to form *NNH intermediate and further reduced to NH 3 . Moreover, we also examined other first‐row transition metal dimers, and found that Sc and Fe dimer to be potential catalysts which could catalyze N 2 reduction at a low overpotential of about 0.21 and 0.45 V, respectively. Our predictions hence suggest Ti, Sc and Fe dimer clusters supported on phosphorene as promising electrocatalysts for N 2 reduction to NH 3 .

Tang, Qing↗
DOE OSTI2022

Synergistic Effect of Diatomic Mo-B Site Confined in Graphene-Like C 2 N Enables Electrocatalytic Nitrogen Reduction via Novel Mechanism

Structural modulation of active site with atomic-level precision is of great importance to meet the activity and selectivity challenges that electrocatalysts are commonly facing. In this work, we have designed a metal (M) - nonmetal (NM) diatomic site embedded in graphene-like C 2 N (denoted as Mo-B@C 2 N), where electrocatalytic N 2 reduction reaction (eNRR) was thoroughly explored using density functional theory combined with computational hydrogen electrode method. Compared to M-M diatomic sites, Mo-B site can generate pronounced synergistic effect that led to eNRR proceeding via a novel quasi-dissociative reaction mechanism that has not been reported relative to the conventional enzymatic, consecutive, distal, and alternating associative mechanism. This newly uncovered mechanism in which N-N bond scission takes place immediately after the first proton-coupled electron transfer (PCET) step (i.e., *NH-*N + H + + e – ® *NH 2 *N) has demonstrated much advantage in PCET process over the four conventional mechanism in terms of thermodynamic barrier, except that the adsorption of side-on *N 2 seemed thermodynamically unfavorable (DG ads = 0.61eV). Our results have revealed that the activation of inert NºN triple bond is dominated by π*-backdonation mechanism as a consequence of charge transfers from both B and Mo site, and unexpectedly, from the substrate C 2 N itself as well. Moreover, the hybrid Mo-B diatomic site demonstrated superior performance over either Mo-Mo or B-B site for driving eNRR. Furthermore, our study could provide insight into the delicate relationships among atomic site, substrate and electrocatalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Carbothermal Reduction Demonstration: Laser Driven Reaction in a Thermal-Vacuum Environment and Project Status

Introduction: Lunar regolith is approximately 45% oxygen by mass. The majority of the oxygen is bound in silicate minerals. The carbothermal reduction process has been proven to be effective at removing oxygen from lunar regolith simulants [1]. The Carbothermal Reduction Demonstration (CaRD) project aims to increase the Technology Readiness Level (TRL) of a combined solar concentrator and carbothermal reduction systemin order to demonstrate this technology on the lunar surface. The CaRD project is divided into two design cycles, a brass board and prototype. The status of both design cycles will be discussed, as well as concepts for how this technology can be applied to the Artemis program in the future. Brassboard Vacuum Test: For the brassboard demonstration, a 2 kW Nd-YAG laser was used to heat lunar regolith simulant within a carbothermal reactor developed by Sierra Space. The reactor was placed inside of a 15 ft thermal vacuum chamber at the Johnson Space Center. The resulting reaction products were analyzed using both a gas chromotograph and mass spectrometer provided by Kennedy Space Center. Thermal data was also collected. Prototype Design: For the prototype, the CaRD team will perform another thermal vacuum test at JSC using the same interfaces and assets developed for the brassboard but will test a new carbothermal reactor design that Sierra Space is developing through the Carbothermal Oxygen Production Reactor (COPR) Tipping Point project that will include a means to autonomously move regolith in and out of the reactor. In addition, a deployable solar concentrator is being developed by Glenn Research Center using mirrors produced by Carbon Mirror Applications. The solar concentrator will be used to deliver solar energy into a carbothermal reactor to melt regolith and extract oxygen. Avionics and software for the concentrator are being developed by Kennedy Space Center. Future Concepts: An ongoing task within the CaRD project is to update models that can be used to determine the mass, power, and size of In-Situ Resource Utilization concepts at various scales. These models can now be used to analyze alternatives for future applications based on the latest available data.

A J Paz↗
DOE OSTI2018

Simulated Global Climate Response to Tropospheric Ozone-Induced Changes in Plant Transpiration

Tropospheric ozone (O 3 ) pollution is known to damage vegetation, reducing photosynthesis and stomatal conductance, resulting in modified plant transpiration to the atmosphere. We use an Earth system model to show that global transpiration response to near-present-day surface tropospheric ozone results in large-scale global perturbations to net outgoing long-wave and incoming shortwave radiation. Our results suggest that the radiative effect is dominated by a reduction in shortwave cloud forcing in polluted regions, in response to ozone-induced reduction in land-atmosphere moisture flux and atmospheric humidity. We simulate a statistically significant response of annual surface air temperature of up to ~ +1.5 K due to this ozone effect in vegetated regions subjected to ozone pollution. This mechanism is expected to further increase the net warming resulting from historic and future increases in tropospheric ozone.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

Numerical studies of laminar and turbulent drag reduction

Two-dimensional incompressible flow over wavy surfaces is studied numerically by spectral methods. Turbulence effects are modeled. Results for symmetric and asymmetric wave forms are presented. Effect of propagating surface waves on drag reduction is studied. Comparisons between computer simulations and experimental results are made.

Balasubramanian, R.↗
DOE OSTI2018

Protective effect of vitreous against hemoglobin neurotoxicity

Highlights: • Bovine vitreous protected cultured neurons from the oxidative toxicity of hemoglobin. • Complete neuroprotection was provided by a 3% vitreous solution. • Ascorbate accounted for most protection in diluted vitreous. • Transferrin and selenium content may contribute in undiluted vitreous. • Vitreous may protect adjacent neurons from hemorrhagic injury. Hemorrhage into the brain parenchyma or subarachnoid space is associated with edema and vascular injury that is likely mediated at least in part by the toxicity of hemoglobin. In contrast, extravascular blood appears to be less neurotoxic when localized to the retina or adjacent vitreous, the gel filling the posterior segment of the eye. In this study, the hypothesis that vitreous protects neurons from hemoglobin toxicity was investigated in a primary cortical cell culture model. Consistent with prior observations, hemoglobin exposure for 24 h resulted in death of most neurons without injury to co-cultured glia. Neuronal loss was reduced in a concentration-dependent fashion by bovine vitreous, with complete protection produced by 3% vitreous solutions. This effect was associated with a reduction in malondialdehyde but an increase in cell iron. At low vitreous concentrations, its ascorbate content was sufficient to account for most neuroprotection, as equivalent concentrations of ascorbate alone had a similar effect. However, other vitreous antioxidants provided significant protection when applied at concentrations present in undiluted vitreous, and prevented all neuronal loss when combined in the absence of ascorbate. These results indicate that vitreous is an antioxidant cocktail that robustly protects neurons from hemoglobin toxicity, and may contribute to the relative resistance of retinal neurons to hemorrhagic injury.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites

Halide perovskite (HP) materials have recently emerged as a class of semiconductors with immense promise for various optoelectronic applications, ranging from solar cells to light-emitting diodes. One of the unique attributes of HPs is their tunable band gaps with different factors governing their value. Furthermore, the first factor is related to relativistic corrections [“mass-Darwin,” connected to the ns 2 lone pairs, and spin-orbit coupling (SOC)] that induce an orbital shift or degeneracy splitting, resulting in a band-gap reduction. The second factor involves the structural configuration: in HPs the local symmetry of each Wyckoff position tends to be broken, inducing an opening of the band gap. Based on high-throughput density functional theory calculations, this paper systematically studies a possible self-cancelation on the band-gap correction for HPs when the polymorphous configuration—structural effects—and the SOC—electronic effects—are included. Our results indicate that the nature of interplay between SOC and symmetry breaking (SB) is that they are independent decoupling effects to describe the band-gap magnitude in halide perovskites. As a result of that, we observe a transitivity of the band-gap description; i.e., if we know the band gap of halide perovskites without SB and SOC, we can independently add the effects of band-gap reduction due to SOC and band-gap opening due to SB, regardless of the order in which these effects are considered.

14 SOLAR ENERGY↗
NASA NTRS1985

Background noise measurements from jet exit vanes designed to reduced flow pulsations in an open-jet wind tunnel

Many open jet wind tunnels experience pulsations of the flow which are typically characterized by periodic low frequency velocity and pressure variations. One method of reducing these fluctuations is to install vanes around the perimeter of the jet exit to protrude into the flow. Although these vanes were shown to be effective in reducing the fluctuation content, they can also increase the test section background noise level. The results of an experimental acoustic program in the Langley 4- by 7-Meter Tunnel is presented which evaluates the effect on tunnel background noise of such modifications to the jet exit nozzle. Noise levels for the baseline tunnel configuration are compared with those for three jet exit nozzle modifications, including an enhanced noise reduction configuration that minimizes the effect of the vanes on the background noise. Although the noise levels for this modified vane configuration were comparable to baseline tunnel background noise levels in this facility, installation of these modified vanes in an acoustic tunnel may be of concern because the noise levels for the vanes could be well above background noise levels in a quiet facility.

Hoad, D. R.↗
NASA NTRS1977

Compiled data on the vascular aquatic plant program, 1975 - 1977

The performance of a single cell, facultative sewage lagoon was significantly improved with the introduction of vascular aquatic plants. Water hyacinth (Eichhornia crassipes) was the dominant plant from April to November; duckweed (Lemna spp.) and (Spirodela spp.) flourished from December to March. This 2 ha lagoon received approximately 475 cu m/day of untreated sewage and has a variable COD sub 5 loading rate of 22-30 kg/ha/day. During the first 14 months of operation with aquatic plants, the average influent BOD sub 5 was reduced by 95% from 110 mg/l to an average of 5 mg/l in the effluent. The average influent suspended solids were reduced by 90% from 97 mg/l to 10 mg/l in the effluent. Significant reductions in nitrogen and phosphorus were effected. The monthly kjeldahl nitrogen for influent and effluent averaged 12.0 and 3.4 mg/l, respectively, a reduction of 72%. The total phosphorus was reduced on an average of 56% from 3.7 mg/l influent to 1.6 mg/l effluent.

Wolverton, B. C.↗
DOE OSTI2025

Molecular H 2 as the Reducing Agent in Low-Temperature Oxide Reduction Using Calcium Hydride

Low-temperature synthesis is crucial for advancing sustainable manufacturing and accessing novel metastable phases. Metal hydrides have shown great potential in facilitating the reduction of oxides at low temperatures, yet the underlying mechanism—whether driven by H - , H 2 , or atomic H—remains unclear. Here, in this study, we employ in situ electrical transport measurements and first- principles calculations to investigate the CaH 2 -driven reduction kinetics in epitaxial α-Fe 2 O 3 thin films. Intriguingly, samples in direct contact with or separated from CaH 2 powders exhibit similar apparent activation energies for H 2 reduction, although direct contact significantly increases the reduction rate. These findings indicate that molecular H 2 is the dominant reducing species in the low-temperature reduction of oxides using CaH 2 , with a key aspect of the hydrides' superior reducing power attributed to their ability to eliminate residual moisture. This work underscores the critical role of moisture control in enabling effective low-temperature oxide reduction for advanced material synthesis.

Wang, Jiayue [SLAC National Accelerator Laboratory↗
NASA NTRS1988

Numerical and experimental evaluation of a new low-leakage labyrinth seal

The effectiveness of a recently developed leakage model for evaluating new design features of most seals is demonstrated. A preliminary assessment of the present stator groove feature shows that it gives approximately a 20 percent leakage reduction with no shaft speed effects. Also, detailed distributions of predicted streamlines, axial velocity, relative pressure and turbulence energy enhance one's physical insight. In addition, the interesting measured effect of axial position of the rotor/stator pair on leakage rate and stator wall axial pressure distribution is examined.

Rhode, D. L.↗
NASA NTRS2007

Three Dimensional Constraint Effects on the Estimated (Delta)CTOD during the Numerical Simulation of Different Fatigue Threshold Testing Techniques

Variation in constraint through the thickness of a specimen effects the cyclic crack-tip-opening displacement (DELTA CTOD). DELTA CTOD is a valuable measure of crack growth behavior, indicating closure development, constraint variations and load history effects. Fatigue loading with a continual load reduction was used to simulate the load history associated with fatigue crack growth threshold measurements. The constraint effect on the estimated DELTA CTOD is studied by carrying out three-dimensional elastic-plastic finite element simulations. The analysis involves numerical simulation of different standard fatigue threshold test schemes to determine how each test scheme affects DELTA CTOD. The American Society for Testing and Materials (ASTM) prescribes standard load reduction procedures for threshold testing using either the constant stress ratio (R) or constant maximum stress intensity (K(sub max)) methods. Different specimen types defined in the standard, namely the compact tension, C(T), and middle cracked tension, M(T), specimens were used in this simulation. The threshold simulations were conducted with different initial K(sub max) values to study its effect on estimated DELTA CTOD. During each simulation, the DELTA CTOD was estimated at every load increment during the load reduction procedure. Previous numerical simulation results indicate that the constant R load reduction method generates a plastic wake resulting in remote crack closure during unloading. Upon reloading, this remote contact location was observed to remain in contact well after the crack tip was fully open. The final region to open is located at the point at which the load reduction was initiated and at the free surface of the specimen. However, simulations carried out using the constant Kmax load reduction procedure did not indicate remote crack closure. Previous analysis results using various starting K(sub max) values and different load reduction rates have indicated DELTA CTOD is independent of specimen size. A study of the effect of specimen thickness and geometry on the measured DELTA CTOD for various load reduction procedures and its implication in the estimation of fatigue crack growth threshold values is discussed.

Seshadri, Banavara R.↗
NASA NTRS1992

Recycling and source reduction for long duration space habitation

A direct mathematical approach has been established for characterizing the performance of closed-loop life support systems. The understanding that this approach gives clearly illustrates the options available for increasing the performance of a life support system by changing various parameters. New terms are defined and utilized, such as Segregation Factor, Resource Recovery Efficiency, Overall Reclamation Efficiency, Resupply Reduction Factor, and Life Support Extension Factor. The effects of increases in expendable system supplies required due to increases in life support system complexity are shown. Minimizing resupply through increased recycling and source reduction is illustrated. The effects of recycling upon resupply launch cost is also shown. Finally, material balance analyses have been performed based on quantity and composition data for both supplies and wastes, to illustrate the use of this approach by comparing ten different closed-loop life support system cases.

Hightower, T. M.↗
NASA NTRS1952

Effect of Various Blade Modifications on Performance of A16-Stage Axial-Flow Compressor. V - Effect on Over-All Performance Characteristics of a 20-Percent Reduction in Solidity of the Fourteenth Through Sixteenth Stage Rotors

The performance of a 16-stage axial-flow compressor, in which the mean-radius solidity was reduced from 1.28 to 1.02 in the fourteenth through sixteenth stage rotors was determined. The performance of this modification was compared with that of the compressor with original rotors. The reduced solidity resulted in slightly improved performance.

Medeiros, Arthur A.↗
NASA NTRS2008

Configuration Effects on Acoustic Performance of a Duct Liner

Continued success in aircraft engine noise reduction necessitates ever more complete understanding of the effect that flow path geometry has on sound propagation in the engine. The Curved Duct Test Rig (CDTR) has been developed at NASA Langley Research Center to investigate sound propagation through a duct of comparable size (approximately the gap of GE90) and physical characteristics to the aft bypass duct of typical aircraft engines. The liner test section is designed to mimic the outer/inner walls of an engine exhaust bypass duct that has been unrolled circumferentially. Experiments to investigate the effect of curvature along the flow path on the acoustic performance of a test liner are performed in the CDTR and reported in this paper. Flow paths investigated include both straight and curved with offsets from the inlet to the discharge plane of and 1 duct width, respectively. The test liners are installed on the side walls of the liner test section. The liner samples are perforate over honeycomb core, which design is typical of liners installed in aircraft nacelles. In addition to fully treated side walls, combinations of treated and acoustically rigid walls are investigated. While curvature in the hard wall duct is found not to reduce the incident sound significantly, it does cause mode scattering. It is found that asymmetry of liner treatment causes scattering of the incident mode into less attenuated modes, which degrades the overall liner attenuation. It is also found that symmetry of liner treatment enhances liner performance by eliminating scattering into less attenuated modes. Comparisons of measured liner attenuation with numerical results predicted by an analytic model based on the parabolic approximation (CDUCT-LaRC) have also been made and are reported in this paper. The effect of curvature in the rigid wall configuration estimated by CDUCT-LaRC is similar to the observed results, and the mode scattering seen in the measurements also occurs in the analytic model results. The analytic model and experiment show similar differences of overall attenuation between one wall treated and both walls treated.

Gerhold, Carl H.↗