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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Porous Two-dimensional Iron-Cyano Nanosheets for High-rate Electrochemical Nitrate Reduction

Ammonia (NH 3 ) is an essential ingredient in agriculture and a promising source of clean energy as a hydrogen carrier. The current major method for ammonia production, however, is the Haber–Bosch process that leads to massive energy consumption and severe environmental issues. Compared with nitrogen (N 2 ) reduction, electrochemical nitrate reduction reaction (NO 3 RR), with a higher NH 3 yield rate and Faradaic efficiency, holds promise for efficient NH 3 production under ambient conditions. To achieve efficient NO 3 RR, electrocatalysts should exhibit high selectivity and Faradaic efficiency with a high NH 3 yield rate. In this work, we developed two-dimensional (2D) iron-based cyano-coordination polymer nanosheets (Fe-cyano NSs) following in situ electrochemical treatment for high-rate NO 3 RR. Owing to the strong adsorption of nitrate on Fe0 active sites generated via topotactic conversion and in situ electroreduction, 2D Fe-cyano electrocatalyst exhibits high catalytic activity with a yield rate of 42.1 mg h –1 mgcat –1 and a Faradaic efficiency of over 90% toward NH 3 production at –0.5 V (vs reversible hydrogen electrode, RHE). Further electrochemical characterizations revealed that superhydrophilic surface and enhanced electrochemical surface area of the 2D porous nanostructures also contributed to the high-rate NO 3 RR activity. Finally, an electrolyzer toward NO 3 RR and oxygen evolution reaction (OER) in a two-electrode configuration is constructed based on 2D Fe-cyano, achieving an energy efficiency of 26.2%. This work provides an alternative methodology toward topotactic conversion of transition metal nanosheets for NO 3 RR and reveals the often-overlooked contribution of hydrophilicity of the catalysts for high-rate electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Twofold van Hove singularity and origin of charge order in topological kagome superconductor CsV 3 Sb 5

The layered vanadium antimonides AV 3 Sb 5 (A = K, Rb, Cs) are a recently discovered family of topological kagome metals that exhibit a range of strongly correlated electronic phases including charge order and superconductivity. However, it is not yet understood how the distinctive electronic structure of the kagome lattice is linked to the observed many-body phenomena. Here we combine angle-resolved photoemission spectroscopy and density functional theory to reveal multiple kagome-derived van Hove singularities (vHS) coexisting near the Fermi level of CsV 3 Sb 5 and analyse their contribution to electronic symmetry breaking. The vHS are characterized by two distinct sublattice flavours (p-type and m-type), which originate, respectively, from their pure and mixed sublattice characters. These twofold vHS flavours of the kagome lattice critically determine the pairing symmetry and unconventional ground states emerging in the AV 3 Sb 5 series. We establish that, among the multiple vHS in CsV 3 Sb 5 , the m-type vHS of the d xz /d yz kagome band and the p-type vHS of the d xy /d x2–y2 kagome band are located very close to the Fermi level, setting the stage for electronic symmetry breaking. The former band is characterized by pronounced Fermi surface nesting, while the latter exhibits a higher-order vHS. Furthermore, our work reveals the essential role of kagome-derived vHS for the collective phenomena realized in the AV 3 Sb 5 family.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Plasma and trap-based techniques for science with antimatter

Positrons (i.e., antielectrons) find use in a wide variety of applications, and antiprotons are required for the formation and study of antihydrogen. Available sources of these antiparticles are relatively weak. To optimize their use, most applications require that the antiparticles be accumulated into carefully prepared plasmas. We present an overview of the techniques that have been developed to efficiently accumulate low energy antiparticles and create, in particular, tailored antiparticle plasmas. Techniques are also described to create tailored antiparticle beams. Many of these techniques are based on methods first developed by the nonneutral plasma community using electron plasmas for increased data rate. They have enabled the creation and trapping of antihydrogen, have been critical to studies of positron and positronium interactions with matter, including advanced techniques to characterize materials and material surfaces, and have led to the creation and study of the positronium molecule. Rather than attempting to be comprehensive, we focus on techniques that have proven most useful, applications where there has been significant, recent progress, and areas that hold promise for future advances. Examples of the latter include the ever more precise comparisons of the properties of antihydrogen and hydrogen, tests of gravity using antihydrogen and positronium atoms, and efforts to create and study phases of the many-electron, many-positron system.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Surrogate Hessian accelerated structural optimization for stochastic electronic structure theories

In this work, we present an efficient energy-based method for structural optimization with stochastic electronic structure theories, such as diffusion quantum Monte Carlo (DMC). This method is based on robust line-search energy minimization in reduced parameter space, exploiting approximate but accurate Hessian information from a surrogate theory, such as density functional theory. The surrogate theory is also used to characterize the potential energy surface, allowing for simple but reliable ways to maximize statistical efficiency while retaining controllable accuracy. We demonstrate the method by finding the minimum DMC energy structures of the selected flake-like aromatic molecules, such as benzene, coronene, and ovalene, represented by 2, 6, and 19 structural parameters, respectively. In each case, the energy minimum is found within two parallel line-search iterations. The method is near-optimal for a line-search technique and suitable for a broad range of applications. It is easily generalized to any electronic structure method where forces and stresses are still under active development and implementation, such as diffusion Monte Carlo, auxiliary-field Monte Carlo, and stochastic configuration interaction, as well as deterministic approaches such as the random-phase approximation. Accurate and efficient means of geometry optimization could shed light on a broad class of materials and molecules, showing high sensitivity of induced properties to structural variables.

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

Deuterium Extraction from Helium with a Vanadium Vacuum Permeator: Commissioning of the Tritium Extraction eXperiment (TEX)

Here, the Tritium Extraction eXperiment (TEX) is a forced-convection lead-lithium (PbLi) loop in the Safety and Tritium Applied Research (STAR) facility at Idaho National Laboratory (INL) with the purpose of providing validation data for the vacuum permeator tritium extraction concept. A vanadium tube of 1000 mm length, 12.7 mm outside diameter, and 0.50 mm wall thickness is installed in the test section of TEX. The installed vanadium tube is characterized to quantify impurity concentrations, surface chemistry, and microstructure to elucidate permeation phenomena observed in experimentation. Herein, the permeation properties of the vanadium tube are characterized by measuring deuterium permeation at 300 °C, 325 °C, and 350 °C at 100 kPa, 125 kPa, and 150 kPa total pressures with 5000 ppm deuterium in helium gas mixture in a once-through flow configuration. The hydrogen isotope permeation through the vanadium tube in the test section is measured with quadrupole mass spectrometers and the hydrogen isotope concentration in the feed and retentate gas stream is measured with gas chromatography. The transient permeation results are modeled with MELCOR-TMAP, a thermal-hydraulic tritium transport code, and compared well with literature data.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Gravitational-wave signal of a core-collapse supernova explosion of a 15M ⊙ star

In this paper we report on the gravitational-wave signal computed in the context of a three-dimensional simulation of a core-collapse supernova explosion of a 15 M ⊙ star. The simulation was performed with our neutrino hydrodynamics code chimera . We detail the gravitational wave strains as a function of time, for both polarizations, and discuss their physical origins. We also present the corresponding spectral signatures. Gravitational wave emission in our model has two key features: low-frequency emission (less than 200 Hz) emanates from the gain layer as a result of neutrino-driven convection and the standing accretion shock instability (SASI), and high-frequency emission (greater than 600 Hz) emanates from the proto–neutron star due to Ledoux convection within it. The high-frequency emission dominates the gravitational wave emission in our model and emanates largely from the convective layer itself, not from the convectively stable layer above it, due to convective overshoot. Moreover, the low-frequency emission emanates from the gain layer itself, not from the proto–neutron star, due to accretion onto it. We provide evidence of the SASI in our model and demonstrate that the peak of our low-frequency gravitational wave emission spectrum corresponds to it. Given its origin in the gain layer, we classify the SASI emission in our model as p-mode emission and assign a purely acoustic origin, not a vortical–acoustic origin, to it. We compare the results of our three-dimensional model analysis with those obtained from the model’s two-dimensional counterpart and find a significant reduction in the strain amplitudes in the former case, as well as significant reductions in all related quantities. Our dominant proto–neutron star gravitational wave emission is not well characterized by emission from surface g modes, complicating the relationship between peak frequencies observed and the mass and radius of the proto–neutron star expressed by analytic estimates under the assumption of surface g-mode emission. We present our frequency normalized characteristic strain along with the sensitivity curves of current- and next-generation gravitational wave detectors. This simple analysis indicates that the spectrum of gravitational wave emission between approximately 20 Hz and approximately 1 kHz, stemming from neutrino-driven convection, the SASI, accretion onto the proto–neutron star, and proto–neutron star convection, will be accessible for a Galactic event.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Effect of Oil Viscosity and Impact of Ionic Liquid Additive on Electrically Induced Pitting in Rolling Contact

Electrically induced bearing damage (EIBD) is a growing concern in electric drivetrains, where electrical discharge currents generate localized pitting that accelerates wear and premature failure. While ionic liquids (ILs) have shown promise as lubricant additives due to their natural physical adsorption, strong capabilities of tribofilm formation, and high molecular tunability, their role in mitigating EIBD is little known. This gap is especially evident because lubricant viscosity and film thickness affect discharge behavior, and additive performance in these regimes has not been well explored. In this study, tribological tests were performed using a ball-on-disk pure rolling-contact system under an applied voltage on polyalphaolefin oils of three viscosities (4, 10, and 150 cSt measured at 100 °C), with and without the addition of a phosphonium-phosphate IL. Surface damage was analyzed using scanning electron microscopy (SEM) and stylus profilometry. Damage quantification was based on pit morphology analysis of SEM images. The results provide new insights into how oil viscosity governs the discharge behavior and how an IL additive could influence the pit formation. While viscosity seems to play a significant role, an IL additive shows potential to reduce EIBD and deserves further study.

electrically induced bearing damage (EIBD)↗
DOE OSTI2022

Deep Neural Network High Spatiotemporal Resolution Precipitation Estimation (Deep-STEP) Using Passive Microwave and Infrared Data

Recent developments in “headline-making” deep neural networks (DNNs), specifically convolutional neural networks (CNNs), along with advancements in computational power, open great opportunities to integrate massive amounts of real-time observations to characterize spatiotemporal structures of surface precipitation. This study aims to develop a CNN algorithm, named Deep Neural Network High Spatiotemporal Resolution Precipitation Estimation (Deep-STEP), that ingests direct satellite passive microwave (PMW) brightness temperatures (Tbs) at emission and scattering frequencies combined with infrared (IR) Tbs from geostationary satellites and surface information to automatically extract geospatial features related to the precipitable clouds. These features allow the end-to-end Deep-STEP algorithm to instantaneously map surface precipitation intensities with a spatial resolution of 4 km. The main advantages of Deep-STEP, as compared to current state-of-the-art techniques, are 1) it learns and estimates complex precipitation systems directly from raw measurements in near–real time, 2) it uses the automatic spatial neighborhood feature extraction approach, and 3) it fuses coarse-resolution PMW footprints with IR images to reliably retrieve surface precipitation at a high spatial resolution. We anticipate our proposed DNN algorithm to be a starting point for more sophisticated and efficient precipitation retrieval systems in terms of accuracy, fine spatial pattern detection skills, and computational costs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Performance evaluation of the USGS velocity model for the San Francisco Bay Area

In this study, we evaluated the performance of the United States Geological Survey velocity model developed for the San Francisco Bay Area (SFBA), version 21.1. The evaluation was performed through high-resolution three-dimensional physics-based ground motion simulations of seven small-magnitude earthquakes (ranging from magnitude 3.8 to 4.4) that occurred on the eastern side of the San Francisco Bay. The simulations were performed in the frequency range from 0 to 5 Hz with a minimum shear-wave velocity of 250 m/s, which allowed the capture of wave propagation effects of the near-surface soft materials that characterize local basins. Based on the direct comparison of Fourier amplitude spectra between recorded and simulated ground motions for more than 250 stations, we found that the velocity model generally performs well in the frequency range of 0.2–5 Hz. The median value of the Fourier amplitude residuals was found to be near zero for all seven earthquakes. The slight over-prediction of 0.2 log-natural units at frequencies above 3 Hz in our simulations was attributed to the potentially inaccurate representation of the source radiation pattern by a double-couple point source model, and simple representation of shallow small-scale underground structural complexity in the velocity model. Maps of spectral amplitude differences between the simulated and recorded data were used to identify areas responsible for systematic ground motion over-predictions or under-predictions. For example, while some sub-domains over soft sediments show over-prediction patterns, the block east of the Hayward fault is prone to exhibit patterns of under-prediction. These maps can be used to guide future refinements of the SFBA velocity model. Since our simulation methodology allows for the decoupling of the source and wave propagation effects, the ground motion data generated by our simulations can also be used to quantify the epistemic uncertainty due to the velocity model, in empirically based ground motion estimates for the SFBA.

58 GEOSCIENCES↗
DOE OSTI2021

Using machine learning to improve land use/cover characterization and projection for scenario-based global modeling

The characterization of the land surface in models is critical for robust estimation of the water cycle and associated extremes. Land use determines water demand, and land cover affects water availability. The interaction between water demand and availability is the key determinant of whether systems are resilient to variability in the overall water cycle. Furthermore, activities such as irrigation and deforestation or afforestation may influence regional to global precipitation patterns, depending on the extent of the activity. Thus this proposed work aims to address the following question: How does integrated land use/cover data and improved land use/cover projection, as informed by machine learning approaches, better resolve human-earth system resilience to water cycle variability and extremes?

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Evolution of the electrothermal instability from thick rod z pinches subject to dynamically and statically applied axial magnetic field

LDRD Project 229427 aimed to determine how electrothermal instability (ETI) driven heating on a z-pinch rod pulsed with intense current evolves under mixed magnetic field (azimuthal + axial) conditions, which is pertinent to pulsed-power-driven magnetically-insulated transmission lines and physics targets. Experiments focused on diagnosing ETI-driven heating from deliberately-machined and well-characterized micron-scale surface defects (referred to as engineered defects or ED). Prior to the start of this project, understanding of how unmagnetized (B z =0) ED evolve had been obtained—simulations largely reproduce the experimentally observed high temperature spots which develop at the poles of bare/uncoated ED. Project 229427 extended the Mykonos Facility ED experimental platform to include axial field. In the first class of experiments, axial field was provided “dynamically” via a helical return can (HRC). In this case, B z and B θ rise at the same rate. Generally, the HRC generated magnetic field at a fixed polarization angle Φ B =arctan(B z /B θ )=15° on the rod's surface. In the second class of experiments, axial field was provided “statically” via a slow-rising (millisecond) external Helmholtz coil pair. In this case, B z was effectively constant/static throughout the 100 ns rise of the Mykonos current. For either case, a primary goal was to determine whether ETI provides a helical seed perturbation for the subsequent growth of the helical magneto Rayleigh-Taylor modes observed in MagLIF (static B z ) and dynamic screw pinch (DSP, dynamic B z ) experiments. When dynamic field was applied using an HRC, emissions from individual ED aligned toward Φ B , while emissions from ED within pairs elongated and preferentially merged along Φ B . These data strongly support that for a randomized defect distribution, heating from nearby current-density perturbations will favorably merge about Φ B to generate an extended seed perturbation that aligns toward the surface-field polarization, and this may impact the orientation of subsequent MRT growth on imploding liners. The results from the static field experiments were largely inconclusive, as any ETI heating rotation, if present, was obscured/overwhelmed by local/random heating from ED rim imperfections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Determining flow directions in river channel networks using planform morphology and topology

Abstract. The abundance of global, remotely sensed surface water observations has accelerated efforts toward characterizing and modeling how water moves across the Earth's surface through complex channel networks. In particular, deltas and braided river channel networks may contain thousands of links that route water, sediment, and nutrients across landscapes. In order to model flows through channel networks and characterize network structure, the direction of flow for each link within the network must be known. In this work, we propose a rapid, automatic, and objective method to identify flow directions for all links of a channel network using only remotely sensed imagery and knowledge of the network's inlet and outlet locations. We designed a suite of direction-predicting algorithms (DPAs), each of which exploits a particular morphologic characteristic of the channel network to provide a prediction of a link's flow direction. DPAs were chained together to create “recipes”, or algorithms that set all the flow directions of a channel network. Separate recipes were built for deltas and braided rivers and applied to seven delta and two braided river channel networks. Across all nine channel networks, the recipe-predicted flow directions agreed with expert judgement for 97 % of all tested links, and most disagreements were attributed to unusual channel network topologies that can easily be accounted for by pre-seeding critical links with known flow directions. Our results highlight the (non)universality of process–form relationships across deltas and braided rivers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Calculation of the Heat Transfer Coefficient in the Outer Body for a Rotational Detonation

Unsteady heat transfer characterization on the combustion surfaces of Rotational Detonation Engines (RDE) is not well understood. It is generally thought that the complex nature of the unsteady, reacting, compressible fluid flow inside the combustion anulus of the RDE causes the convective heat transfer coefficient to be significantly higher than it is in other applications. Empirical models that have been used to analyze this strictly apply to steady flows where dimensionless groups can be employed. The reacting flow fields that are characteristic of RDEs are inherently compressible, three dimensional, unsteady, and turbulent, having properties that change by orders of magnitude throughout the flow field. They will therefore contain multiple length scales and time scales operating everywhere in the flow during all times. Because of this it is not likely that the RDE flow fields will lend themselves to explanation using simple dimensionless parameters. The dimensionless groups have meaning only in situations where length scales and time scales are singular and well defined. In spite of this it may be possible to get a relatively good idea of what the convection heat transfer coefficient is. In this work a numerical study is performed where the inside wall surface temperature distribution in the RDE outer body is systematically changed over a given range that would be characteristic of the start-up flows inside an RDE. For each case, temperature distributions inside the outer containment wall of the RDE was calculated and compared with experimental data. The closet match can then be used to directly calculate the convection heat transfer coefficient on the inside surface of the RDE.

VanOsdol, John↗
DOE OSTI2026

Generalized Hall conductivities in local commuting projector models: Generalized symmetries and protected surface modes

Hall conductivities are important characterizations of phases of matter. It is known that nonzero Hall conductivities are difficult to realize in local commuting projector lattice models due to no-go theorems in (2+1)⁢D. In this work we construct local commuting projector models in (2+1)⁢D and (3+1)⁢D with nonzero generalized Hall conductivities for ordinary and higher-form continuous symmetries on tensor product Hilbert space of finite local dimension. The model is given by a standard ℤ 𝑁 toric code, but the symmetries do not admit expression in terms of on-site charge operators. The symmetry do not have local charges or currents on the lattice in the absence of boundaries, but there is still a notion of Hall conductivities that coincide with the continuum field theories. We construct protected gapless boundaries of the lattice models using modified Villain formalism. The generalized Hall conductivities are computed by surface currents as well as bulk flux insertion and many-body Chern number.

Anomalies↗
DOE OSTI2023

Operando characterization and regulation of metal dissolution and redeposition dynamics near battery electrode surface

Mn dissolution has been a longstanding, ubiquitous issue that negatively impacts the performance of Mn-based battery materials. Mn dissolution involves complex chemical and structural transformations at the electrode-electrolyte interface. The continuously evolving electrodeelectrolyte interface has posed great challenges for characterizing the dynamic interfacial process and quantitatively establishing the correlation with battery performance. In this study, we visualize and quantify the temporally and spatially resolved Mn dissolution/redeposition (D/R) dynamics of electrochemically operating Mn-containing cathodes. The particle-level and electrode-level analyses reveal that the D/R dynamics is associated with distinct interfacial degradation mechanisms at different states of charge. Our results statistically differentiate the contributions of surface reconstruction and Jahn-Teller distortion to the Mn dissolution at different operating voltages. Introducing sulfonated polymers (Nafion) into composite electrodes can modulate the D/R dynamics through trapping the dissolved Mn species and rapidly establishing the local Mn D/R equilibrium. This work represents an inaugural effort to pinpoint the chemical and structural transformations responsible for Mn dissolution via an operando synchrotron study and develops an effective method to regulate Mn interfacial dynamics for improving battery performance.

25 ENERGY STORAGE↗
DOE OSTI2025

Earthquake detection in a simulated lunar regolith using distributed acoustic sensing

Current models of inner lunar geology have largely been inferred from the seismic experiments and observations performed during the Apollo missions that comprised a relatively small number of seismic instruments. Refining constraints on fundamental lunar relationships such as crust-mantle and mantle-core boundaries in the future will require seismic arrays spanning larger epicentral distances. A promising technology for installing dense seismic arrays with minimal human effort is distributed acoustic sensing (DAS), an approach that allows a single length of fiber optic cable to act as hundreds or thousands of sensors when coupled with a DAS interrogator. While terrestrial uses of DAS technology for seismic monitoring rely on burying the cable to maximize fidelity of seismic signal transmission to the fiber, digging meters of trench to bury optical fiber on lunar or planetary surfaces is logistically infeasible. To evaluate DAS signal attenuation due to surface deployment of cable in lunar regolith, we completed earthquake detection analyses that evaluated the sensitivity of an optic-fiber DAS system to seismic signals at different burial depths. We deployed a single-mode fiber in a 10-m open-bottom wooden box filled with a lunar regolith simulant (LRS) with fiber buried at different depths within the LRS and recorded signals for four regional and local earthquakes. The results were used to identify and evaluate signal attenuation in surface-deployed fiber compared to buried fiber in the LRS. Burial depth responses to active-source signals were also evaluated similar to previous studies characterizing DAS sensitivity of surface-deployed fiber. Atmospheric noise was minimal as the cable was deployed in an indoor environment; however, where observed, atmospheric and anthropogenic noise was filtered out using the same bandpass filtering used to identify earthquake events. We found that signal attenuation of the surface-deployed fiber compared to buried fiber was relatively high in active-source experiments but was not consistently observed in earthquake signals. That burial depth is not highly correlated to attenuation of the observed earthquake signals indicates that in a noise-limited environment, placing DAS-interrogated fiber directly at the regolith surface may be a promising deployment strategy to consider for sensing remote seismic signals during lunar exploration.

58 GEOSCIENCES↗
DOE OSTI2022

Influence of copper and aluminum substitution on high-temperature oxidation of the FeCoCrNiMn “Cantor” alloy

In this study, the oxidation behavior of FeCoCrNiMn (HEA + Mn) is compared to three modified HEAs manufactured by substituting Mn with Al, Cu, or Al + Cu. Oxidation tests were conducted between 600°C and 800°C for up to 500 h in synthetic air. Substitution of Mn leads to a significant improvement in the oxidation resistance for the three modified HEAs. For FeCoCrNiCu (HEA + Cu), a local attack of a Cu-rich phase was observed, leading to the formation of CuO blisters on the surface. The FeCoCrNiAl (HEA + Al) alloy was characterized by the formation of a thin Al 2 O 3 surface layer for all temperatures. However, for the HEA + Al alloy the formation of AlN was observed after 300 h at 800°C, leading to a partial breakdown of the protective scale. FeCoCrNiCuAl (HEA + Cu + Al) by far showed the best oxidation resistance, characterized by the formation of a highly protective Al 2 O 3 scale that effectively inhibited nitrogen penetration into the metal subsurface and local attack of the Cu-rich phase.

36 MATERIALS SCIENCE↗