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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Size Transformation of the Au 22 (SG) 18 Nanocluster and Its Surface-Sensitive Kinetics

For many applications of well-defined gold nanoclusters, it is desirable to understand their structural evolution behavior under working conditions with molecular precision. Here we report the first systematic investigation of the size transformation products of the Au 22 (SG) 18 nanocluster under representative working conditions and highlight the surface effect on the transformation kinetics. Under thermal and aerobic conditions, the consecutive and pH-dependent transformation from Au 22 to both well-defined clusters and small Au(I)SR species was identified by ESI-MS and UV-vis spectroscopy. By introducing a perturbation onto the Au 22 surface, significant changes in the activation parameters were determined from the kinetic study of the Au 22 transformation. This indicates the sensitivity of the nanocluster transformation pathway to the cluster surface. Finally, the systematic study of cluster transformation and the sensitivity of cluster transformation to the surface revealed herein has significant implications for future attempts to design gold nanoparticles with adaptation to the working environment and the regeneration of active nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Surface molecular pump enables ultrahigh catalyst activity

The performance of electrocatalysts is critical for renewable energy technologies. While the electrocatalytic activity can be modulated through structural and compositional engineering following the Sabatier principle, the insufficiently explored catalyst-electrolyte interface is promising to promote microkinetic processes such as physisorption and desorption. By combining experimental designs and molecular dynamics simulations with explicit solvent in high accuracy, we demonstrated that dimethylformamide can work as an effective surface molecular pump to facilitate the entrapment of oxygen and outflux of water. Dimethylformamide disrupts the interfacial network of hydrogen bonds, leading to enhanced activity of the oxygen reduction reaction by a factor of 2 to 3. This strategy works generally for platinum-alloy catalysts, and we introduce an optimal model PtCuNi catalyst with an unprecedented specific activity of 21.8 ± 2.1 mA/cm 2 at 0.9 V versus the reversible hydrogen electrode, nearly double the previous record, and an ultrahigh mass activity of 10.7 ± 1.1 A/mg Pt .

Science & Technology - Other Topics↗
DOE OSTI2024

Suppressing strain propagation in ultrahigh-Ni cathodes during fast charging via epitaxial entropy-assisted coating

Surface reconstruction and the associated severe strain propagation have long been reported as the major cause of cathode failure during fast charging and long-term cycling. Despite tremendous attempts, no known strategies can simultaneously address the electro-chemomechanical instability without sacrificing energy and power density. Here we report an epitaxial entropy-assisted coating strategy for ultrahigh-Ni LiNi x Co y Mn 1-x-y O 2 (x ≥ 0.9) cathodes via an oriented attachment-driven reaction between Wadsley-Roth phase-based oxides and the layered-oxide cathodes. Further, the high anti-cracking and anti-corrosion tolerances as well as the fast ionic transport of the entropy-assisted surface effectively improved the fast charging/discharging capability, wide temperature tolerance and thermal stability of the ultrahigh-Ni cathodes. Comprehensive analysis from the primary and secondary particle level to the electrode level using multi-scale in situ synchrotron X-ray probes reveals greatly reduced lattice dislocations, anisotropic lattice strain and oxygen release as well as improved bulk/local structural stability, even when charging beyond the threshold state of charge (75%) of layered cathodes. Layered Ni-rich oxide cathodes are susceptible to challenges with surface reconstruction and strain propagation, limiting their cyclability. The authors propose a solution involving oriented attachment-driven reactions, utilizing Wadsley-Roth nanocrystals and layered oxide to induce an epitaxial entropy-assisted coating, effectively addressing these issues.

25 ENERGY STORAGE↗
NASA NTRS2016

Considering Combined or Separated Roughness and Vegetation Effects in Soil Moisture Retrievals

For more than six years, the Soil Moisture and Ocean Salinity (SMOS) mission has provided multi angular and full-polarization brightness temperature (TB) measurements at L-band. Geophysical products such as soil moisture (SM) and vegetation optical depth at nadir (tau(sub nad)) are retrieved by an operational algorithm using TB observations at different angles of incidence and polarizations. However, the quality of the retrievals depends on several surface effects, such as vegetation, soil roughness and texture, etc. In the microwave forward emission model used in the retrievals (L-band Microwave Emission Model, L-MEB),soil roughness is modeled with a semi-empirical equation using four main parameters (Q(sub r), H(sub r), N(sub rp), with p = H or V polarizations). At present, these parameters are calibrated with data provided by airborne studies and in situ measurements made at a local scale that is not necessarily representative of the large SMOS footprints (43 km on average) at global scale. In this study, we evaluate the impact of the calibrated values of N(sub rp) and H(sub r) on the SM and tau(sub nad) retrievals based on SMOS TB measurements (SMOS Level 3 product) over the Soil Climate Analysis Network (SCAN) network located in North America over five years (2011-2015). In this study, Qr was set equal to zero and we assumed that N(sub rH)= N(sub rV). The retrievals were performed by varying N(sub rp) from −1 to 2 by steps of 1 and H(sub r) from 0 to 0.6 by steps of 0.1. At satellite scale, the results show that combining vegetation and roughness effects in a single parameter provides the best results in terms of soil moisture retrievals, as evaluated against the in situ SM data. Even though our retrieval approach was very simplified, as we did not account for pixel heterogeneity, the accuracy we obtained in the SM retrievals was almost systematically better than those of the Level 3 product. Improved results were also obtained in terms of optical depth retrievals. These new results may have key consequences in terms of calibration of roughness effects within the algorithms of the SMOS (ESA) and the SMAP (NASA) space missions.

full-polarization↗
NASA NTRS1984

High-purity silicon crystal growth

Crystal growth parameter effects on minority carrier lifetime and solar cell efficiencies were investigated using high purity techniques such as float zoning. Study objectives include the following: (1) optimize dopants and minority carrier lifetime in FZ material for high efficiency silicon solar cell applications; (2) improve the understanding of lifetime degradation mechanisms (point defects, impurities, thermal history, surface effects, etc.), and (3) crystallographic defect characterization of float zone and ribbon crystals via X-ray topography.

Ciszek, T.↗
DOE OSTI2025

Reactivity of Carbonate Solvent Electrolytes on Lithium Silicon Anodes

Silicon (Si) is promising for lithium-ion battery (LIB) anodes due to their high theoretical capacity and low electrochemical potential. However, significant challenges remain, including severe volumetric expansion during cycling and the electrochemical instability of electrolytes, which leads to the formation of a nonuniform solid electrolyte interphase (SEI). To investigate SEI formation mechanisms, computational molecular dynamics simulations offer valuable insights. In this work, we examine the trajectories and charge transfer behavior of lithium hexafluorophosphate (LiPF 6 ) salt with various solvent compositions using density functional theory (DFT) and ab initio molecular dynamics (AIMD). Among the tested electrolyte systems, LiPF 6 with vinylene carbonate (VC) added to ethyl methyl carbonate (EMC) exhibits the lowest reactivity with the Si anode. In contrast, the effects of fluoroethylene carbonate (FEC) and VC depend on whether the primary solvent is EMC alone or a mixture of ethylene carbonate (EC) and EMC. Moreover, we show that electrolyte reactivity varies with the degree of lithiation of the Si anode (LiSi vs Li 15 Si 4 ) and under different charge states. To decouple electrolyte reactivity from surface effects, we analyze the dissociation and formation energies of individual species from solvated configurations. Overall, these first-principles-based findings provide a strategic foundation for electrolyte design to improve cycling stability and extend calendar life in LIBs using Si anodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Interactions of Aqueous Surface Treatments with Magnesium Alloy

Magnesium, the lightest structural metal, has recently been identified as an important substrate for weight reduction in automotive, aerospace, personal electronics, and many other industries. Magnesium’s unique chemistry, however, makes it challenging to protect from corrosion and incorporate with other materials. Cleaners are the first step in any pretreatment process, and understanding their role in surface preparation for corrosion prevention is crucial to making magnesium substrate a viable solution for lightweighting. In this work, we explore the relationship between cleaner composition, pH, etch rate, and panel morphology post-cleaning to understand how various cleaners interact with magnesium alloy. Our findings broaden the pool of possible bath chemistries that provide safe and effective surface cleaning of magnesium substrate.

Harris, Rachel↗
DOE OSTI2024

Improved modeling of detector response effects in phonon-based crystal detectors used for dark matter searches

Various dark matter search experiments employ phonon-based crystal detectors operated at cryogenic temperatures. Some of these detectors, including certain silicon detectors used by the SuperCDMS Collaboration, are able to achieve single-charge sensitivity when a voltage bias is applied across the detector. The total amount of phonon energy measured by such a detector is proportional to the number of electron-hole pairs created by the interaction. However, crystal impurities and surface effects can cause propagating charges to either become trapped inside the crystal or create additional unpaired charges, producing non-quantized measured energy as a result. A new analytical model for describing these detector response effects in phonon-based crystal detectors is presented. This model improves upon previous versions by demonstrating how the detector response, and thus the measured energy spectrum, is expected to differ depending on the source of events. Finally, we use this model to extract detector response parameters for SuperCDMS HVeV detectors, and illustrate how this robust modelling can help statistically discriminate between sources of events in order to improve the sensitivity of dark matter search experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1996

Spacecraft Charging, An Update

Spacecraft charging and its associated plasma interactions continue to be major issues for Earth-orbiting spacecraft. Although typically thought of as a surface effect on geosynchronous spacecraft, internal charging and low-altitude phenomena are increasingly causing concern. This review will concentrate on the problems introduced by penetrating electrons and related processes, and on issues tied to plasma/aurora.

Spacecraft↗
NASA NTRS1986

Direct experimental determination of voltage across high-low junctions

High-low (HL) junctions form a part of many semiconductor devices, including back surface field solar cells. A first experimental determination and interpretation of the voltage across the HL junction under low- and high-injection conditions is presented as a function of the voltage across a nearby p/n junction. Theoretical analysis from first principles is shown to bear well on the experimental results. In addition, a test structure is proposed for measurement of the effective surface recombination velocity at the HL junctions.

Daud, T.↗
NASA NTRS1981

Thrust reversing effects on twin-engine aircraft having nonaxisymmetric nozzles

The effects of thrust reversing on stability, control and vertical tail loads of advanced fighter aircraft are reviewed. Several static test stand and wind tunnel investigations of nonaxisymmetric nozzles with integral thrust reversers are presented, and it is found that base drag on the aft face of reverser panels of blockers provides a significant contribution to in-flight thrust reverser performance. The location of tail surfaces relative to the thrust reverser has significant impact on control surface effectiveness, and depending on thrust reverser location, large vertical tail side force can result from the use of in-flight thrust reversers. It is concluded that highly effective nonaxisymmetric nozzle reversers can be designed to achieve a 50% static reverse thrust.

Capone, F. J.↗
NASA NTRS1971

Space shuttle: Static aerodynamic characteristics characteristics and control effectiveness for McDonnell-Douglas orbiter configuration for Mach number range of 0.4 to 5.0

An experimental aerodynamic wind tunnel investigation was conducted employing a 0.00325 scale model of the McDonnell-Douglas space shuttle orbiter configuration. This investigation was conducted in the NASA/Marshall Space Flight Center 14- by 14- inch trisonic wind tunnel. The investigation was to determine the aerodynamic characteristics of the orbiter over the Mach number range of 0.4 to 5.0, an angle of attack variation from -4 degrees to 50 degrees, and -6 degrees to 9 degrees angle of sideslip. Control surface effectiveness was investigated for elevator, aileron, and rudder deflections.

Ellis, R. R.↗
NASA NTRS2012

Dynamic Wind-Tunnel Testing of a Sub-Scale Iced S-3B Viking

The effect of ice accretion on a 1/12-scale complete aircraft model of S-3B Viking was studied in a rotary-balance wind tunnel. Two types of ice accretions were considered: ice protection system failure shape and runback shapes that form downstream of the thermal ice protection system. The results showed that the ice shapes altered the stall characteristics of the aircraft. The ice shapes also reduced the control surface effectiveness, but mostly near the stall angle of attack. There were some discrepancies with the data with the flaps deflected that were attributed to the low Reynolds number of the test. Rotational and forced-oscillation studies showed that the effects of ice were mostly in the longitudinal forces, and the effects on the lateral forces were relatively minor.

Lee, Sam↗
NASA NTRS2017

The Footprints of 16 Year Trends of Arctic Springtime Cloud and Radiation Properties on September Sea Ice Retreat

The most prominent September Arctic sea ice decline over the period of 2000–2015 occurs over the Siberian Sea, Laptev Sea, and Kara Sea. The satellite observed and retrieved sea ice concentration (SIC) and cloud/radiation properties over the Arctic (70°–90°N) have been used to investigate the impact of springtime cloud and radiation properties on September SIC variation. Positive trends of cloud fractions, cloud water paths, and surface downward longwave flux at the surface over the September sea ice retreat areas are found over the period of 1 March to 14 May, while negative trends are found over the period of 15 May to 28 June. The spatial distributions of correlations between springtime cloud/radiation properties and September SIC have been calculated, indicating that increasing cloud fractions and downward longwave flux during springtime tend to enhance sea ice melting due to strong cloud warming effect. Surface downward and upward shortwave fluxes play an important role from May to June when the onset of sea ice melting occurs. The comparison between linearly detrended and nondetrended of each parameter indicates that significant impact of cloud and radiation properties on September sea ice retreat occurs over the Chukchi/Beaufort Sea at interannual time scale, especially over the period of 31 March to 29 April, while strongest climatological trends are found over the Laptev/Siberian Sea.

Arctic sea ice trend↗
NASA NTRS1939

The Effects of Some Surface Irregularities on Wing Drag

The N.A.C.A. has conducted tests to provide more complete data than were previously available for estimating the effects of common surface irregularities on wing drag. The irregularities investigated included: brazier-head and countersunk rivets, spot welds, several types of sheet-metal joints, and surface roughness. Tests were also conducted to determine the over-all effect of manufacturing irregularities incidental to riveted aluminum alloy and to spot-welded stainless-steel construction. The tests were made in the 8-foot high speed wind tunnel at Reynolds Numbers up to 18,000,000. The results show that any of the surface irregularities investigated may increase wing drag enough to have important adverse effects on high-speed performance and economy. A method of estimating increases in wing drag caused by brazier-head rivets and lapped joints under conditions outside the range of the tests is suggested. Estimated drag increases due to rivets and lapped joints under conditions outside the range of the tests is suggested. Estimated drag increases due to rivets and lapped joints on a wing of 20-foot chord flying at 250 miles per hour are shown.

Drag, Manley↗
NASA NTRS1991

Coatings could protect composites from hostile space environment

An experiment has been conducted on about 100 different material/process combinations, most of which were candidates for use in solar arrays having high power-to-weight ratios. These substances were exposed to the LEO environment during Long-Duration Exposure Facility Experiment A0171 in order to evaluate the synergistic effects of the LEO environment on the materials' mechanical, electrical, and optical properties. Materials evaluated include solar cells, cover slips having antireflectance coatings, adhesives, encapsulants, reflective materials, mast and harness materials, structural composites, and thermal control thin films. About one-sixth of the experiment tray was devoted to composite-material tensile specimens, which were specifically to be studied for changes in their mechanical properties. Preliminary results of the surface-damage evaluation are presented. These surface effects are dominated by atomic-oxygen erosion and micrometeoroid/space debris impacts.

Whitaker, Ann F.↗