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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
DOE OSTI2026

The Cascade Effectiveness of 3-Terminal Tandem Photocathode Architectures as Applied to CO 2 Reduction

Cascade catalysis for photoelectrochemical CO 2 reduction (CO 2 R) decouples the overall reaction into sequential steps occurring on separately optimized catalysts (for example, Ag and Cu) between which an intermediate species such as CO is transferred. A 3-terminal tandem (3TT) photovoltaic architecture advantageously holds two different catalytic regions at different potentials under a single illumination source, but its overall efficiency is low. Using a stochastic reaction-diffusion model, we have examined 3TT photocathode design principles, focusing on the coupling of surface chemistry and transport of CO both inside the boundary layer and outward, into the bulk electrolyte. We find that ensuring that the lateral diffusion distance within the boundary layer is short compared to the boundary layer thickness and controlling bulk flow are key, with interdigitated designs showing an overall conversion efficiency improvement by 2 orders of magnitude compared to the side-by-side case without flow. These findings can be adapted for other cascaded architectures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Computational wing design in support of an NLF variable sweep transition flight experiment

A natural laminar flow outer panel wing glove has been designed for a variable sweep fighter aircraft using state-of-the-art computational techniques. Testing of the design will yield wing pressure and boundary-layer data under actual flight conditions and environment. These data will be used to enhance the understanding of the interaction between crossflow and Tollmien-Schlichting disturbances on boundary-layer transition. The outer wing panel was contoured such that a wide range of favorable pressure gradients could be obtained on the wing upper surface. Extensive computations were performed to support the design effort which relied on two- and three-dimensional transonic design and analysis techniques. A detailed description of the design procedure that evolved during this study is presented. Results on intermediate designs at various stages in the design process demonstrate how the various physical and aerodynamic constraints were integrated into the design. Final results of the glove design analyzed as part of the complete aircraft configuration with a full-potential wing/body analysis code indicate that the aerodynamic design objectives were met.

Waggoner, E. G.↗
NASA NTRS1998

Burner Rig Hot Corrosion of a Single Crystal Ni-48Al-Ti-Hf-Ga Alloy

The hot corrosion resistance of a single crystal Ni-48Al-1Ti-0.5Hf-0.2Ga alloy was examined in a Mach 0.3 burner rig at 900 C for 300 hours. The combustion chamber was doped with 2 ppmw synthetic sea salt. The hot corrosion attack produced a random mound morphology on the surface. Microstructurally, the hot corrosion attack appeared to initiate with oxide-filled pits which were often broad and shallow. At an intermediate stage, the pits increased in size to incorporate unoxidized Ni islands in the corrosion product. The rampant attack stage, which was observed only at sharp sample corners, was characterized by rapid inward growth of alumina in finger-like protrusions incorporating significant amounts of Al-depleted Ni islands. Aluminum consumption in the oxide fingers resulted in the growth of a gamma' layer ahead of the advancing oxide fingers.

Nesbitt, James A.↗
DOE OSTI2024

Regulating the Third Metal to Design and Engineer Multilayered NiFeM (M: Co, Mn, and Cu) Nanofoam Anode Catalysts for Anion-Exchange Membrane Water Electrolyzers

In this study, alkaline anion-exchange membrane water electrolyzers (AEMWEs) for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant platinum group metal (PGM)-free catalysts. Herein, the third metal is incorporated into NiFe-based catalysts to regulate their electronic structures and morphologies, aiming to achieve sufficient oxygen evolution reaction (OER) activity and performance in AEMWEs. The ternary NiFeM (M: Cu, Co, or Mn) catalysts are featured with multiple layered structures and nanofoam network morphologies, consisting of highly OER-active amorphous Ni-rich oxide shells and electrically conductive metallic alloy cores. The physical and electronic perturbations to the NiFe induced by a third element lead to a fine-tuning of the redox ability of the metal sites at the reaction centers, which breaks the scaling relationship between OH* and O* intermediates at the reaction centers. Thus, the unique structural configuration and electronic regulation simultaneously benefit catalytic activity and performance improvements. These NiFeM nanofoam catalysts demonstrated promising anode performance in actual AEMWEs, comparable to the IrO 2 reference, especially at high current densities. Notably, using various electrolytes (e.g., KOH solution or pure water) for AEMWEs exhibited a different performance trend among studied NiFeM catalysts, likely due to dynamic changes of catalysts under various OER environments.

25 ENERGY STORAGE↗
DOE OSTI2025

How Solvent Mediates the Catalytic Fate of 2-Methoxyphenol in Hydrodeoxygenation Catalysis?

Kinetic and isotopic assessments combined with theoretical calculations shed light on the mechanistic differences in terms of the number of hydrogen addition steps and the electronic charges of reactive hydrogen in the catalytic sequence leading to the Ar−OCH 3 scission of 2-methoxyphenol occurring at various interfaces of vapor−Ru, cyclohexane−Ru, and water−Ru. At vapor−Ru and cyclohexane−Ru interfaces, the initial hydrogen adatom (H*) additions on the phenyl ring disrupt its aromaticity, as a step required to occur before kinetically relevant Ar−OCH 3 scission on an ensemble of Ru sites. The number of H* addition events prerequisite to the formation of the kinetically relevant Ar−OCH 3 scission transition state, however, is larger at the cyclohexane−Ru interface than those at the vapor−Ru and water−Ru interfaces. The preferential solvation of 2-methoxyphenol derived reaction precursors and H* weakens their adsorption on Ru sites, which leads to a decrease in the activation barrier for the third H* addition step and in turn a larger number of H* additions. At the water−Ru interface, water as a polar protic solvent promotes the Ar−OCH 3 scission by enabling a mechanistically distinct catalytic route an adjacent water molecule from the solvent layer assists with the intramolecular proton shuttling from the hydroxyl group (−OH) to the vicinal methoxy group (−OCH 3 ) of 2-methoxyphenol, evolving a highly charged transition state that is further stabilized by the water solvent layer, thereby leading to Ar−OCH 3 scission rate constants that are much higher than those at the vapor−Ru interface and, when comparing at the same H 2 chemical potential, higher Ar−OCH 3 scission turnovers. Furthermore, these distinct mechanistic details of the Ar−OCH 3 scission at various reaction interfaces, inferred from experiment and theory, illustrate how a solvent either solvates reaction intermediates and transition states or directly participates in the formation of kinetically relevant transition states, leading to changes in the free energy landscape, thus rewriting the catalytic fates in hydrodeoxygenation reactions.

09 BIOMASS FUELS↗
DOE OSTI2020

Diagnostic development for parallel wave-number measurement of lower hybrid waves in EAST

In this study, an eight-channel magnetic probe diagnostic system has been designed and installed adjacent to the 4.6 GHz lower hybrid (LH) grill antenna in the low-field side of the Experimental Advanced Superconducting Tokamak (EAST) in order to study the n ∥ evolution of LH waves in the first pass from the launcher to the core plasma. The magnetic probes are separated by 6.6 mm, which allows measurement of the dominant parallel refractive index n ∥ up to n ∥ = 5 for 4.6 GHz LH waves. The magnetic probes are designed to be sensitive to the magnetic field component perpendicular to the background magnetic field with a slit on the casing that encloses the probe. The intermediate frequency stage, which consists of two mixing stages, down-coverts the frequency of the measured wave signals at 4.6 GHz to 20 MHz. A bench test demonstrates the phase stability of the magnetic probe diagnostic system. By evaluating the phase variation of the measured signals along the background magnetic field, the dominant n ∥ of the LH wave in the scrape-off layer has been deduced during the 2019 experimental campaign. In the low density plasma, the measured dominant n ∥ of the LH waves is about 2.1, corresponding to the main peak 2.04 of the launched n ∥ spectrum. n ∥ deduced by the least-squares linear fit method remains near this value in the low density plasma with a high spatial correlation magnitude of 0.9. With an eight-channel probe system, a wave-number spectrum has also been deduced, which has a peak near to the measured dominant n ∥ .

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Experiments and Simulations on the Turbulent, Rarefaction Wave Driven Rayleigh–Taylor Instability

Experiments were performed to observe the growth of the turbulent, Rayleigh–Taylor unstable mixing layer generated between air and SF 6 , with an Atwood number of A=(ρ 2 –ρ 1 )/(ρ 2 +ρ 1 ) = 0.64, where ρ 1 and ρ 2 are the densities of air and SF 6 , respectively. A nonconstant acceleration with an average value of 2300g 0 , where g 0 is the acceleration due to gravity, was generated by interaction of the interface between the two gases with a rarefaction wave. Three-dimensional, multimode perturbations were generated on the diffuse interface, with a diffusion layer thickness of δ = 3.6 mm, using a membraneless vertical oscillation technique, and 20 experiments were performed to establish a statistical ensemble. The average perturbation from this ensemble was extracted and used as input for a numerical simulation using the Lawrence Livermore National Laboratory (LLNL) Miranda code. Good qualitative agreement between the experiment and simulation was observed, while quantitative agreement was best at early to intermediate times. Several methods were used to extract the turbulent growth constant α from experiments and simulations while accounting for time varying acceleration. Experimental, average bubble and spike asymptotic self-similar growth rate values range from α = 0.022 to α = 0.032 depending on the method used, and accounting for variable acceleration. Values found from the simulations range from α = 0.024 to α = 0.041. Here, the values of α measured in the experiments are lower than what are typically measured in the literature but are more in line with those found in recent simulations.

42 ENGINEERING↗
DOE OSTI2022

Diagnostic development for parallel wave-number measurement of lower hybrid waves in EAST

An eight-channel magnetic probe diagnostic system has been designed and installed adjacent to the 4.6 GHz lower hybrid (LH) grill antenna in the low-field side of the EAST tokamak in order to study the n|| evolution of lower hybrid waves in the first pass from the launcher to the core plasma. The magnetic probes are separated by 6.6 mm, which allows measurement of the dominant parallel refractive index n|| up to n|| =5 for 4.6GHz LH waves. The magnetic probes are designed to be sensitive to the magnetic field component perpendicular to the background magnetic field with a slit on the casing that encloses the probe. The intermediate frequency (IF) stage, which consists of two mixing stages, down-coverts the frequency of the measured wave signals at 4.6 GHz to 20 MHz. A bench test demonstrates the phase stability of the magnetic probe diagnostic system. By evaluating the phase variation of the measured signals along the background magnetic field, the dominant n|| of the LH wave in the scrape-off layer (SOL) has been deduced during the 2019 experimental campaign. In the low density plasma, the measured dominant n|| of the lower hybrid waves is about 2.1, corresponding to the main peak 2.04 of the launched n|| spectrum. The n|| deduced by the least square linear fit method remains near this value in the low density plasma with a high spatial correlation magnitude of 0.9. With an eight-channel probe system a wave-number spectrum has also been deduced, which has a peak near to the measured dominant n||.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1974

The Liege-balloon program

The Liege-balloon program is intended to make high-spectral resolution observations of the sun in the near- and intermediate infrared regions not accessible from the ground. A description of the equipment, followed by a summary of the data obtained till now is presented. Except for ozone whose maximum of concentration lies near 25 Km altitude, the residual mass distribution of the other mentioned molecules decreases with altitude. This is a self-explanatory argument for carrying out spectroscopic observations from platforms transcending the densest layers of the earth's atmosphere. The Liege balloon equipment is primarily intended for very high-resolution solar observations from about 27-30 Km altitude, in all spectral regions between 1.5 and 15.0 microns, not accessible from the ground.

Zander, R.↗
DOE OSTI2024

Transition from an incommensurate spin density wave to a commensurate magnetic order in a triangular lattice compound Ho 2 PdAl 6 Ge 4

Rare-earth (RE) intermetallics on a triangular lattice are promising candidates for generating interesting magnetic phases due to the complex interplay between Ruderman-Kittel-Kasuya-Yoshida (RKKY) interaction and geometrical frustration. Here, in this work, we report the exotic magnetic structure of a layered compound Ho 2 PdAl 6 Ge 4 with triangular lanthanide nets. Magnetization and heat capacity measurements in zero magnetic field reveal two magnetic phase transitions at T N1 = 10.8 K and T N2 = 6.0 K. Neutron powder diffraction demonstrates a commensurate antiferromagnetic phase with k 1 = (0, 0, 1.5) below T N2 . With increasing temperature, another incommensurate vector appears and therefore, the magnetic structure of the intermediate state is identified as an unusual incommensurate spin density wave with two propagation vectors k 1 = (0, 0, 1.5) and k 2 = (0.0492, 0.0492, 1.5). The magnetic moments in the intermediate state rotate continuously and form an unusual S-shaped wave arrangement in the ab plane, sharing similarities with typical cycloid and helix magnetic orders. These results identify Ho 2 PdAl 6 Ge 4 as a candidate for exploring field-induced topological magnetic phases such as skyrmions, opening the way for further investigations on the family of RE 2 PdAl 6 Ge 4 materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluation of probability density function descriptions for three-component Rayleigh–Taylor mixing

Results from simulations of a three-component Rayleigh–Taylor (RT) mixing problem are presented. These simulations are conducted in heavy–light–heavy and heavy–intermediate–light configurations, and each of these configurations are further considered in high- and low-Reynolds-number regimes. This results in RT-unstable flow with one or both interfaces initially unstable, permitting the influence of problem configuration on the statistical description of three-component RT-driven mixing to be considered. Mass fraction covariances are observed to undergo a sign change through the mixing layer in all four configurations considered. This appears to be unique to the multi-component case and represents another way in which multi-component RT mixing differs from the two-component case. Qualitative and quantitative comparisons of joint and marginal probability density function (PDF) descriptions of species concentration are made. Three-, five-, and six-parameter model PDFs are compared against simulation data to assess how accurately they describe the mixing, and it is found that three-component mixing requires at least a five-parameter model PDF to accurately describe the mixing. Notably, the marginal distributions of three-component mixing do not appear to conform to a beta distribution, representing a departure from the classical two-component RT case. In conclusion, statistical neutrality also appears to influence the optimal choice of model PDF, which is found to be a function of problem configuration.

Large-eddy simulation↗
DOE OSTI2026

Tunable symmetry breaking in a hexagonal-stacked moiré magnet

Symmetry plays a central role in defining magnetic phases, making tunable symmetry breaking across magnetic transitions highly desirable for discovering non-trivial magnetism. Magnetic moiré superlattices, formed by twisting two-dimensional magnetic crystals, have been theoretically proposed and experimentally explored as platforms for unconventional magnetic states. However, despite recent advances, the ability to tune symmetry breaking in moiré magnetism remains limited, as twisted two-dimensional magnets predominantly inherit the magnetic properties and symmetries of their constituent layers. Here, in this work, we demonstrate a clear evolution of symmetry in hexagonal-stacked twisted double-bilayer CrI 3 as the twist angle increases from 180° to 190°. Although the net magnetization remains zero across this twist-angle range, the magnetic phase breaks only the threefold rotational symmetry at 180°, but it breaks all the rotational, mirror and time-reversal symmetries at intermediate twist angles between 181° and 185°, and all broken symmetries are recovered at 190°. This pronounced symmetry breaking at intermediate twist angles is accompanied by metamagnetic behaviour, evidenced by symmetric double hysteresis loops around zero magnetic field. Together, these results reveal that hexagonal-stacked twisted double-bilayer CrI3 at intermediate twist angles hosts a distinct moiré magnetic phase, featuring periodic in-plane spin textures with broken rotational, mirror and time-reversal symmetries.

Sun, Zeliang (ORCID:0009000770748064)↗
DOE OSTI2022

An MLIR-based Compiler Flow for System-Level Design and Hardware Acceleration

The generation of custom hardware accelerators for applications implemented within high-level productive programming frameworks requires considerable manual effort. To automate this process, we introduce \sodaopt, a compiler tool that extends the MLIR infrastructure. \sodaopt automatically searches, outlines, tiles, and pre-optimizes relevant code regions to generate high-quality accelerators through high-level synthesis. \sodaopt can support any high-level programming framework and domain-specific language that interface with the MLIR infrastructure. By leveraging MLIR, \sodaopt solves compiler optimization problems with specialized abstractions. Backend synthesis tools connect to \sodaopt through progressive intermediate representation lowerings. \sodaopt interfaces to a design space exploration engine to identify the combination of compiler optimization passes and options that provides high-performance generated designs for different backends and targets. We demonstrate the practical applicability of the compilation flow by exploring the automatic generation of accelerators for deep neural networks operators outlined at arbitrary granularity and by combining outlining with tiling on large convolution layers. Experimental results with kernels from the PolyBench benchmark show that \sodaopt high-level optimizations improve execution delays of synthesized accelerators up to 60x. We also show that for the selected kernels, our solution outperforms the current of state-of-the art in more than 70% of the benchmarks and provides better average speedup in 55% of them.

Bohm Agostini, Nicolas↗
NASA NTRS1983

Analysis of aerothermal loads on spherical dome protuberances

Hypersonic flow over spherical dome protuberances was investigated to determine increased pressure and heating loads to the surface. The configuration was mathematically modeled in a time-dependant three-dimensional analysis of the conservation of mass, momentum (Navier-Stokes), and energy equations. A boundary mapping techique was used to obtain a rectangular parallelepiped computational domain, and a MacCormack explicit time-split predictor-corrector finite difference algorithm was used to obtain solutions. Results show local pressures and heating rates for domes one-half, one, and two boundary layer thicknesses high were increased by factors on the order of 1.4, 2, and 6, respectively. However, because lee-side pressure and thermal loads were reduced the two lower height domes did not experience any net increase in total loads. The total loads on the higher dome were increased by twenty-five percent. Flow over the lower dome was everywhere attached while flow over the intermediate dome had small windward and leeside separations. The higher dome had an unsteady windward separation region and a large leeside separation region. Trailing vortices form on all domes with intensity increasing with dome height. Discussions of applying the results to a thermally bowed thermal protection system are presented.

Olsen, G. C.↗
NASA NTRS1991

Ocean transport and variability studies of the South Pacific, Southern, and Indian Oceans

The objectives of this study are to analyze ocean dynamics in the western South Pacific and the adjacent Southern Ocean and the eastern Indian Ocean. Specifically, our objectives for these three regions are, for the South Pacific Ocean: (1) To estimate the volume transport of the east Australian Current (EAC) along the Australian coast and in the Tasman Front, and to estimate the time variability (on seasonal and interannual time scales) of this transport. (2) To contribute to estimating the meridional heat and freshwater fluxes (and their variability) at about 30 deg S. Good estimates of the transport in the western boundary current are essential for accurate estimates of these fluxes. (3) To determine how the EAC transport (and its extension, the Tasman Front and the East Auckland Current) closes the subtropical gyre of the South Pacific and to better determine the structure at the confluence of this current and the Antarctic Circumpolar Current. (4) To examine the structure and time variability of the circulation in the western South Pacific and the adjacent Southern Ocean, particularly at the Tasman Front. For the Indian Ocean: (5) To study the seasonal interannual variations in the strength of the Leeuwin Current. (6) To monitor the Pacific-Indian Ocean throughflow and the South Equatorial and the South Java Currents between northwest Australia and Indonesia. (7) To study the processes that form the water of the permanent oceanic thermocline and, in particular, the way in which new thermocline water enters the permanent thermocline in late winter and early spring as the mixed layer restratifies. For the Southern Ocean: (8) To study the mesoscale and meridional structure of the Southern Ocean between 150 deg E and 170 deg E; in particular, to describe the Antarctic frontal system south of Tasmania and determine its interannual variability; to estimate the exchanges of heat, salt, and other properties between the Indian and Pacific Oceans; and to investigate the annual ventilation of the Antarctic Intermediate Water and Subantarctic Mode Water Masses.

Church, John A.↗
NASA NTRS2003

The FUSE Survey of 0 VI in the Galactic Halo

This paper summarizes the results of the Far-Ultraviolet Spectroscopic Explorer (FUSE) program to study 0 VI in the Milky Way halo. Spectra of 100 extragalactic objects and two distant halo stars are analyzed to obtain measures of O VI absorption along paths through the Milky Way thick disk/halo. Strong O VI absorption over the velocity range from -100 to 100 km/s reveals a widespread but highly irregular distribution of O VI, implying the existence of substantial amounts of hot gas with T approx. 3 x 10(exp 5) K in the Milky Way thick disk/halo. The overall distribution of O VI is not well described by a symmetrical plane-parallel layer of patchy O VI absorption. The simplest departure from such a model that provides a reasonable fit to the observations is a plane-parallel patchy absorbing layer with an average O VI mid-plane density of n(sub 0)(O VI) = 1.7 x 10(exp -2)/cu cm, a scale height of approx. 2.3 kpc, and a approx. 0.25 dex excess of O VI in the northern Galactic polar region. The distribution of O VI over the sky is poorly correlated with other tracers of gas in the halo, including low and intermediate velocity H I, Ha emission from the warm ionized gas at approx. l0(exp 4) K, and hot X-ray emitting gas at approx. l0(exp 6) K . The O VI has an average velocity dispersion, b approx. 60 km/s and standard deviation of 15 km/s. Thermal broadening alone cannot explain the large observed profile widths. A combination of models involving the radiative cooling of hot fountain gas, the cooling of supernova bubbles in the halo, and the turbulent mixing of warm and hot halo gases is required to explain the presence of O VI and other highly ionized atoms found in the halo. The preferential venting of hot gas from local bubbles and superbubbles into the northern Galactic polar region may explain the enhancement of O VI in the North.

Sonneborn, George↗
DOE OSTI2024

Steam‐Assisted Selective CO 2 Hydrogenation to Ethanol over Ru−In Catalysts

Abstract Multicomponent catalysts can be designed to synergistically combine reaction intermediates at interfacial active sites, but restructuring makes systematic control and understanding of such dynamics challenging. We here unveil how reducibility and mobility of indium oxide species in Ru‐based catalysts crucially control the direct, selective conversion of CO 2 to ethanol. When uncontrolled, reduced indium oxide species occupy the Ru surface, leading to deactivation. With the addition of steam as a mild oxidant and using porous polymer layers to control In mobility, Ru−In 2 O 3 interface sites are stabilized, and ethanol can be produced with superior overall selectivity (70 %, rest CO). Our work highlights how engineering of bifunctional active ensembles enables cooperativity and synergy at tailored interfaces, which unlocks unprecedented performance in heterogeneous catalysts.

Zhou, Chengshuang↗
DOE OSTI2021

Liquid crystalline behavior and photoluminescence of lanthanide decanoate nanoparticles synthesized by microwave radiation

Luminescent lanthanide decanoate nanoparticles (LnC 10 NPs; Ln = Pr, Nd, Sm, Eu, Gd, Er) with spherical morphology (<100 nm) have been synthesized via a facile microwave (MWV) method using Ln(NO 3 ) 3 ·xH 2 O, ethanol/water, and decanoic acid. These hybrid nanomaterials adopt a lamellar structure consisting of inorganic Ln 3+ layers separated by a decanoate anion bilayer and exhibit liquid crystalline (LC) phases during melting. The particle size, crystalline structure, and LC behavior were characterized using transmission electron microscopy (TEM), differential scanning calorimetry (DSC), and powder X-ray diffraction (ambient and heated). Thermal analysis indicated the formation of Smectic A LC phases by LnC 10 nanoparticles, with the smaller lanthanides (Ln = Sm, Gd, Er) displaying additional solid intermediate and Smectic C phases. The formation of LC phases by the smaller Ln 3+ suggests that these nanoscale materials have vastly different thermal properties than their bulk counterparts, which do not exhibit LC behavior. In this work, photoluminescence spectroscopy revealed the LnC 10 NPs to be highly optically active, producing strong visible emissions that corresponded to expected electronic transitions by the various Ln 3+ ions. Under long-wave UV irradiation (λ = 365 nm), bright visible luminescence was observed for colloidal suspensions of Nd, Sm, Eu, Gd, and ErC 10 NPs. To the best of the authors’ knowledge, this is the first reported synthesis of nanoscale metal alkanoates, the first report of liquid crystalline behavior by any decanoate of lanthanides smaller than Nd, and the first observation of strong visible luminescence by non-vitrified lanthanide alkanoates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗