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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Electronic landscape of the f -electron intermetallics with the ThCr 2 Si 2 structure

Although strongly correlated f -electron systems are well known as reservoirs for quantum phenomena, a persistent challenge is to design specific states. What is often missing are simple ways to determine whether a given compound can be expected to exhibit certain behaviors and what tuning vector(s) would be useful to select the ground state. In this review, we address this question by aggregating information about Ce, Eu, Yb, and U compounds with the ThCr 2 Si 2 structure. We construct electronic/magnetic state maps that are parameterized in terms of unit cell volumes and d -shell filling, which reveals useful trends including that (i) the magnetic and nonmagnetic examples are well separated, and (ii) the crossover regions harbor the examples with exotic states. These insights are used to propose structural/chemical regions of interest in these and related materials, with the goal of accelerating discovery of the next generation of f -electron quantum materials.

42 ENGINEERING↗
DOE OSTI2021

Effect of Zeolitization on Noble Gas Transport in Natural Materials [Poster]

The goal of this project is to quantify the effect of adsorption on noble gas transport though rocks that contain zeolite compared with rocks that don't. Success is defined by developing a coefficient called Retardation that describes the separation effect of zeolites. This coefficient can then be used by gas transport modelers to predict field-scale observations of noble gases released underground in a chemical explosion

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bipolar Membranes with an Electrospun 3D Junction

Freestanding bipolar membranes (BPMs) with an entirely new and transformative morphology were fabricated and characterized. The key disruptive design element was a water-splitting/water-generation junction layer of finite thickness composed of interwoven and interlocking electrospun anion-exchange polymer (AEP) fibers and cation-exchange polymer (CEP) fibers. Methods were developed to sandwich the 3D junction layer between two pre-formed dense AEP and CEP films., with the closure of all interfiber voids, where the processing steps are easily incorporated into a commercial roll-to-roll membrane manufacturing scheme. A series of membranes were made using different polymers and junction layers to identify the optimum morphology and composition for water-splitting and water-generation applications. For water splitting, the 3D junction BPMs worked remarkably well with operating current densities at/above 1.0 A/cm2 (10X greater than commercial BPMs) at a transmembrane voltage drop of only 1.1 V. In water generation mode, the 3D junction BPMs operated at 0.5 A/cm2, a world-record current density. The membranes were found to exhibit outstanding durability and can be manufactured at scale for low cost. The high operating current densities and stable long-term operation are due to the 3D junction layer design, where there is a high interfacial area for water splitting or water generation reactions and where the interlocking fibers prevent delamination of the outer films. These new BPMs are ideal candidate materials for both existing water-splitting electrodialysis separations and new electrochemical processes, such as large-scale direct air capture of CO 2 , reactors for CO 2 reduction, self-hydrating fuel cells, and redox flow batteries.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Improved Chopper System for a Direct Geometry Spectrometer at the Second Target Station

This report describes a chopper cascade suitable for a cold direct geometry spectrometer at a pulsed neutron source with a low repetition rate such as the Second Target Station (STS) currently being planned at Oak Ridge National Laboratory (ORNL). The chopper cascade offers the following capabilities: selection of a variable number of pulses per frame (flexible pulse suppression), selection of pulses with increasing timing separation within one frame, and an increasing pulse width ∆t within one frame, in order to achieve an even energy resolution over several pulses at different wavelengths across the frame.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Separation of Lithium and Magnesium from Brines Using Zwitterionic Simulated Moving Beds: Cooperative Research and Development (Final Report)

The purpose of this work was to separate lithium and magnesium from lithium-containing brines by applying a zwitterionic simulated moving bed (zSMB) system that NLR developed. This work was needed to validate lithium and magnesium separation for future development at scale. Below is a summary of the tasks outlined in the Statement of Work and the results that were generated.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Applying the core-satellite species concept: Characteristics of rare and common riverine dissolved organic matter

Introduction: Dissolved organic matter (DOM) composition varies over space and time, with a multitude of factors driving the presence or absence of each compound found in the complex DOM mixture. Compounds ubiquitously present across a wide range of river systems (hereafter termed core compounds) may differ in chemical composition and reactivity from compounds present in only a few settings (hereafter termed satellite compounds). Here, we investigated the spatial patterns in DOM molecular formulae presence (occupancy) in surface water and sediments across 97 river corridors at a continental scale using the “Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems—WHONDRS” research consortium. Methods: We used a novel data-driven approach to identify core and satellite compounds and compared their molecular properties identified with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results: In this work, we found that core compounds clustered around intermediate hydrogen/carbon and oxygen/carbon ratios across both sediment and surface water samples, whereas the satellite compounds varied widely in their elemental composition. Within surface water samples, core compounds were dominated by lignin-like formulae, whereas protein-like formulae dominated the core pool in sediment samples. In contrast, satellite molecular formulae were more evenly distributed between compound classes in both sediment and water molecules. Core compounds found in both sediment and water exhibited lower molecular mass, lower oxidation state, and a higher degree of aromaticity, and were inferred to be more persistent than global satellite compounds. Higher putative biochemical transformations were found in core than satellite compounds, suggesting that the core pool was more processed. Discussion: The observed differences in chemical properties of core and satellite compounds point to potential differences in their sources and contribution to DOM processing in river corridors. Overall, our work points to the potential of data-driven approaches separating rare and common compounds to reduce some of the complexity inherent in studying riverine DOM.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1979

Proposed methods for the reconstruction of the Pioneer/Venus probe entry trajectories

In connection with the Pioneer Venus Project, an orbiter and an array of atmospheric probes are sent to Venus in separate launches during 1978. The four probes, which are transported to the planet on an instrumented Bus are released approximately 20 days prior to encounters. There are three identical small probes and a large probe. Each is designed to make in-situ atmospheric measurements. One of the principal scientific objectives of the Pioneer Venus (P/V) multiprobe mission is the determination of the structure and composition of the Venusian atmosphere down to the planet surface. To enhance the science return it is of paramount importance to be able to accurately determine the spacecraft entry trajectories. In addition to the in-situ spacecraft measurements, earth-based Doppler data are available. The process felt to be most applicable for the P/V multiprobe entry trajectory reconstruction is considered, with emphasis placed on the highly dynamic upper entry segment of the trajectory.

Findlay, J. T.↗
NASA NTRS1984

Model studies in catalysis with uhv-deposited metal particles and clusters

Small supported metal particles have become a popular area of intense research interest, and important contributions to the considered problems are being made from the fields of uhv technology, thin film physics surface science, and surface and thin film instrumentation. Attention is given to insulating supports, particulate metal deposits and their properties, metal/support interactions and gas exposures, and integrated experimental approaches. It is concluded that major contributions to the field of model catalysis should be forthcoming in the near future from uhv-based methods of research. Catalysis and catalysis-related problem areas expected to benefit from advanced model studies include catalyst preparation processing, sintering mechanisms for metals and alloys, separation of initial and final state effects for supported clusters, and the influence of particle and/or support morphologies.

Poppa, H.↗
NASA NTRS2002

The Burst and Transient Source Experiment Earth Occultation Technique

An Earth orbiting detector sensitive to gamma-ray photons will see step-like occultation features in its count rate when a gamma-ray point source crosses the Earth's limb. This is due to the change in atmospheric attenuation of the gamma rays along the line of sight. In an uncollimated detector, these occultation features can be used to locate and monitor astrophysical sources provided their signals can be individually separated from the detector background. We show that the Earth occultation technique applied to the Burst and Transient Source Experiment (BATSE) on the Compton Gamma Ray Observatory (CGRO) is a viable and flexible all-sky monitor in the low-energy gamma-ray and hard X-ray energy range (20 keV-1 MeV). The method is an alternative to more sophisticated photon imaging devices for astronomy and can serve well as a cost-effective science capability for monitoring the high energy sky. Here we describe the Earth occultation technique for locating new sources and for measuring source intensity and spectra without the use of complex background models. Examples of transform imaging, step searches, spectra, and light curves are presented. Systematic uncertainties due to source confusion, detector response, and contamination from rapid background fluctuations are discussed and analyzed for their effect on intensity measurements. A sky location-dependent average systematic error is derived as a function of Galactic coordinates. The sensitivity of the technique is derived as a function of incident photon energy and also as a function of angle between the source and the normal to the detector entrance window. Occultations of the Crab Nebula by the Moon are used to calibrate Earth occultation flux measurements independent of possible atmospheric scattering effects.

Harmon, B. A.↗
NASA NTRS2018

Follow-up Imaging of Disk Candidates from the Disk Detective Citizen Science Project: New Discoveries and False Positives in WISE Circumstellar Disk Surveys

The Disk Detective citizen science project aims to find new stars with excess 22 m emission from circumstellar dust in the All WISE data release from the Wide-field Infrared Survey Explorer. We evaluated 261 Disk Detective objects of interest with imaging with the Robo-AO adaptive optics instrument on the 1.5 m telescope at Palomar Observatory and with RetroCam on the 2.5 m du Pont Telescope at Las Campanas Observatory to search for background objects at 0 15–12 separations from each target. Our analysis of these data leads us to reject 7% of targets. Combining this result with statistics from our online image classification efforts implies that at most7.9%±0.2% of All WISE-selected infrared excesses are good disk candidates. Applying our false-positive rates to other surveys, we find that the infrared excess searches of McDonald et al. and Marton et al. all have false-positiverates >70%. Moreover, we find that all 13 disk candidates in Theissen & West with W4 signal-to-noise ratio >3are false positives. We present 244 disk candidates that have survived vetting by follow-up imaging. Of these,213 are newly identified disk systems. Twelve of these are candidate members of comoving pairs based on Gaia astrometry, supporting the hypothesis that warm dust is associated with binary systems. We also note the discovery of 22 m excess around two known members of the Scorpius–Centaurus association, and we identifyknown disk host WISEA J164540.79-310226.6 as a likely Sco-Cen member. Thirty of these disk candidates arecloser than 125 pc (including 26 debris disks), making them good targets for both direct-imaging exoplanetsearches.

Wide-field Infrared Survey Explorer↗
NASA NTRS2018

The Advantages of Synergy-Quantitative Earth Science Data Visualization and Analysis with Giovanni, Panoply, and Excel

The NASA Giovanni data analysis system provides a multitude of basic analysis capabilities for numerous Earth science data products which are available in the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) archive, as well as for additional selected data products provided by other NASA Distributed Active Archive Center (DAAC) archives. In Giovanni, users can easily generate time-averaged data maps, area-averaged time-series, Latitude-Time and Longitude-Time Hovmoeller diagrams, correlation maps, accumulation maps, and map animations (22 analysis options are available in total). While ASCII text output is available for time-series plots, it is not included as an option for data maps. In order to provide a quantitative, easy-to-use numerical output in ASCII text form, the NetCDF file output from a Giovanni visualization is downloaded and then opened with the free NASA visualization software package Panoply. Panoply provides the capability of translating the Giovanni file into comma-separated-variable (CSV) output. Panoply also provides additional visualization options, including the facile calculation of difference maps and quasi-anomaly maps using Giovanni output files. The CSV files from Panoply can then be imported into an Excel spreadsheet, where an Excel macro converts the CSV files. The output consists of latitude-longitude-data value triads in text form for maps, and either longitude-time-data value or latitude-time-data value triads in text form for Hovmoeller diagrams. This presentation will explicate the basic procedure for the conversion, and then provide several examples where the procedure is applied to Giovanni output from different analysis options.

Earth science↗
DOE OSTI2026

Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits

Optically addressable molecular qubits based on spin-flip (SF) emissive transitions are promising candidates for quantum technologies due to their sharp luminescence lines and tunable optical-spin interfaces. Yet, the microscopic mechanisms controlling the spin-flip radiative lifetime of SF emitters, a key property for efficient spin readout, remain largely unexplored. Here, we present a computational study of several Cr 4+ and Mo 4+ pseudotetrahedral molecular qubits, and we identify chemical and structural features that influence the transition dipole moment associated with the SF emission, which, in turn, governs the SF radiative lifetime. We find that the magnitude of the dipole moment is governed by the multireference character of the spin-flip excited-state wave function, which can be modulated by tuning the energy separation between the d orbitals of the metal and the spin-pairing energy. Both parameters are sensitive to molecular symmetry, metal–ligand bond covalency, and bond anisotropy and leave room for modulation via ligand and metal design, as well as applied strain, which is relevant for sensing applications. Our findings provide a mechanistic framework for understanding and tuning the spin-flip radiative behavior of molecular qubits and SF emitters that may guide future advances in quantum information science.

molecular qubits↗
DOE OSTI2024

Uncertainty quantification for molecular property predictions with graph neural architecture search

Graph Neural Networks (GNNs) have emerged as a prominent class of data-driven methods for molecular property prediction. However, a key limitation of typical GNN models is their inability to quantify uncertainties in the predictions. This capability is crucial for ensuring the trustworthy use and deployment of models in downstream tasks. To that end, we introduce AutoGNNUQ, an automated uncertainty quantification (UQ) approach for molecular property prediction. AutoGNNUQ leverages architecture search to generate an ensemble of high-performing GNNs, enabling the estimation of predictive uncertainties. Our approach employs variance decomposition to separate data (aleatoric) and model (epistemic) uncertainties, providing valuable insights for reducing them. In our computational experiments, we demonstrate that AutoGNNUQ outperforms existing UQ methods in terms of both prediction accuracy and UQ performance on multiple benchmark datasets, and generalizes well to out-of-distribution datasets. Additionally, we utilize t-SNE visualization to explore correlations between molecular features and uncertainty, offering insight for dataset improvement. AutoGNNUQ has broad applicability in domains such as drug discovery and materials science, where accurate uncertainty quantification is crucial for decision-making.

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

Aggregated carbon dioxide flux and hydrometeorology data from an Amazonian palm swamp peatland in Peru: 2018, 2019, and 2022

This dataset contains eddy covariance carbon dioxide flux and hydrometeorological measurements made in an Amazonian palm swamp peatland near Iquitos, Peru. These data have been aggregated from half-hourly observations that are available from AmeriFlux (https://ameriflux.lbl.gov/; site PE-QFR). These data files are CSV (comma separated values) format and can be imported using Matlab, R, or Excel. Three full years of data are reported (2018, 2019 and 2022) during which time there were large differences in annual net ecosystem carbon dioxide exchange. The gap was caused by instrument malfunction and extended delays in repairs because of the Covid-19 pandemic. This research was conducted to better understand the carbon cycle of tropical peatlands, and was supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research, Terrestrial Ecosystem Science Program, under Award Number DE-SC0020167.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Space Technology 5: Pathfinder for Future Micro-Sat Constellations

The Space Technology 5 (ST-5) Project, currently in the implementation phase, is part of the National Aeronautics and Space Administration (NASA) s New Millennium Program (NMP). ST-5 will consist of a constellation of three miniature satellites, each with mass less than 25 kg and size approximately 60 cm by 30 cm. ST-5 addresses technology challenges, as well as fabrication, assembly, test and operations strategies for future micro-satellite missions. ST-5 will be deployed into a highly eccentric, geo-transfer orbit (GTO). This will expose the spacecraft to a high radiation environment as well as provide a low level magnetic background. A three-month flight demonstration phase is planned to validate the technologies and demonstrate concepts for future missions. Each ST-5 spacecraft incorporates NMP competitively-selected breakthrough technologies. These include Cold Gas Micro-Thrusters for propulsion and attitude control, miniature X-band transponder for space-ground communications, Variable Emittance Coatings for dynamic thermal control, and CULPRiT ultra low power logic chip used for Reed-Solomon encoding. The ST-5 spacecraft itself is a technology that can be infused into future missions. It is a fully functional micro-spacecraft built within tight volume and mass constraints. It is built to withstand a high radiation environment, large thermal variations, and high launch loads. The spacecraft power system is low-power and low-voltage, and is designed to turn on after separation &om the launch vehicle. Some of the innovations that are included in the ST-5 design are a custom spacecraft deployment structure, magnetometer deployment boom, nutation damper, X-band antenna, miniature spinning sun sensor, solar array with triple junction solar cells, integral card cage assembly containing single card Command and Data Handling and Power System Electronics, miniature magnetometer, and lithium ion battery. ST-5 will demonstrate the ability of a micro satellite to perform research-quality science. Each ST-5 spacecraft will deploy a precision magnetometer to be used both for attitude determination and as a representative science instrument. The spacecraft has been developed with a low magnetic signature to avoid interference with the magnetometer. The spacecraft will be able to detect and respond autonomously to science events, i.e. significant changes in the magnetic field measurements. The three spacecraft will be a pathfinder for future constellation missions. They will be deployed to demonstrate an appropriate geometry for scientific measurements as a constellation. They will be operationally managed as a constellation, demonstrating automation and communication strategies that will be useful for future missions. The technologies and future mission concepts will be validated both on the ground and in space. Technologies will be validated on the ground by a combination of component level and system level testing of the flight hardware in a thermal vacuum environment. In flight, specific validation runs are planned for each of the technologies. Each validation run consists of one or more orbits with a specific validation objective. This paper will describe the ST-5 mission, and the applicability of the NMP technologies, spacecraft, and mission concepts to future missions. It will also discuss the validation approach for the ST-5 technologies and mission concepts.

Carlisle, Candace↗
DOE OSTI2020

Autonomously Responsive Membranes for Chemical Warfare Protection

Stimuli-responsive materials offer new opportunities to resolve long-standing material challenges and are rapidly gaining pivotal roles in diverse applications. For example, smart protective garments that rapidly transport water vapor and autonomously block chemical threats are expected to enable an effective new paradigm of adaptive personal protection. However, the incorporation of these seemingly incompatible properties into a single responsive system remains elusive. Herein, a bistable membrane that can rapidly, selectively, and reversibly transition from a highly breathable state in a safe environment to a chemically protective state when exposed to organophosphate threats such as sarin is demonstrated. Dynamic response to chemical stimuli is achieved through the physical collapse of an ultrathin copolymer layer on the membrane surface, which efficiently gates transport through membrane pores composed of single-walled carbon nanotubes (SWNTs). The adoption of nanometer-wide SWNTs for ultrafast moisture conduction enables a simultaneous boost in size-sieving selectivity and water-vapor permeability by decreasing nanotube diameter, thereby overcoming the breathability/protection trade-off that limits conventional membrane materials. Adaptive multifunctional membranes based on this platform greatly extend the active use of a protective garment and present exciting opportunities in many other areas including separation processes, sensing, and smart delivery.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Formation of carbon homonuclear bonds in β-SiC under neutron irradiation at various temperatures and neutron doses

To elucidate radiation defect processes in SiC, Raman spectroscopy was systematically applied to high-purity, polycrystalline β-SiC that was neutron irradiated at a range of temperature and dose conditions. The analysis specifically focused on formation of carbon homonuclear bonds by irradiation; these bonds were indicated by D and G bands and amorphous carbon peaks. Intensity of the carbon peaks relative to SiC peaks significantly decreased in the case of high temperature and/or high neutron dose of 500 °C to 29 displacements per atom (dpa) and about 800 °C to 1.38 and 29 dpa. The absence of carbon bond peaks under those conditions was explained by growth of stoichiometric defect clusters, consistent with previous atomistic simulations on SiC defect stability. The lack of Raman bands associated with carbon clusters under high-temperature and high-dose radiation conditions accounts for the resistance of SiC to phase separation under irradiation. The findings further suggest that material compositions and chemical properties that are inherently resistant to chemical disordering under high-dose radiation conditions are indicative of the long-term durability of ceramic compounds in radiation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Evolution of the role of molybdenum in duplex stainless steels during thermal aging: From enhancing spinodal decomposition to forming heterogeneous precipitates

Thermal aging of ferrite in duplex stainless steels leads to a complex microstructural evolution that can give way to large deleterious changes in mechanical properties. The microstructural evolution mechanisms that happen concurrently are strongly linked to minor changes in composition. By characterizing duplex stainless steels with various compositions over a range of aging conditions, it was revealed that adding a modest amount of Mo to cast austenitic stainless steel (such as changing from grade CF3 to grade CF3M) not only increases the kinetics of spinodal decomposition and Ni-Si-Mn-rich G-phase precipitation, but it also forms a separate Mo-rich phase. At shorter equivalent aging times, Mo segregates from Fe and towards Cr accelerating spinodal decomposition. At longer aging times, Mo enriches in the Ni-Si-Mn clusters before phase separating into an adjoined Mo-rich cluster. We found that these phase changes and precipitation events result in a rather steep drop in fracture and impact toughness. These results will inform the design of similar alloys for use at high temperatures.

36 MATERIALS SCIENCE↗