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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Search for dark matter produced in association with a Higgs boson decaying to tau leptons at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for dark matter produced in association with a Higgs boson in final states with two hadronically decaying τ-leptons and missing transverse momentum is presented. The analysis uses 139 fb -1 of proton-proton collision data at $\sqrt{s}$ = 13 TeV collected by the ATLAS experiment at the Large Hadron Collider between 2015 and 2018. No evidence of physics beyond the Standard Model is found. The results are interpreted in terms of a 2HDM+a model featuring two scalar Higgs doublets and a pseudoscalar singlet field. Exclusion limits on the parameters of the model in selected benchmark scenarios are derived at 95% confidence level. Model-independent limits are also set on the visible cross-section for processes beyond the Standard Model producing missing transverse momentum in association with a Higgs boson decaying into τ-leptons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Robust implementation of generative modeling with parametrized quantum circuits

Although the performance of hybrid quantum-classical algorithms is highly dependent on the selection of the classical optimizer and the circuit ansätze, a robust and thorough assessment on-hardware of such features has been missing to date. From the optimizer perspective, the primary challenge lies in the solver’s stochastic nature, and their significant variance over the random initialization. Therefore, a robust comparison requires one to perform several training curves for each solver before one can reach conclusions about their typical performance. Since each of the training curves requires the execution of thousands of quantum circuits in the quantum computer, such a robust study remained a steep challenge for most hybrid platforms available today. In this work, we leverage on Rigetti’s Quantum Cloud Services (QCS™) to overcome this implementation barrier, and we study the on-hardware performance of the data-driven quantum circuit learning (DDQCL) for three different state-of-the-art classical solvers, and on two-different circuit ansätze associated to different entangling connectivity graphs for the same task. Additionally, we assess the gains in performance from varying circuit depths. To evaluate the typical performance associated with each of these settings in this benchmark study, we use at least five independent runs of DDQCL towards the generation of quantum generative models capable of capturing the patterns of the canonical Bars and Stripes dataset. In this experimental benchmarking, the gradient-free optimization algorithms show an outstanding performance compared to the gradient-based solver. In particular, one of them had better performance when handling the unavoidable noisy objective function to be minimized under experimental conditions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Polymeric membranes for CO 2 separation and capture

Over the past decade, CO 2 separation and capture have become the new bandwagon for polymer science and membrane research. This review presents the fundamentals of CO 2 /gas separation in polymeric membranes and discusses how these principles underpin opportunities and challenges for post-combustion carbon capture (CO 2 /N 2 ), hydrogen purification (CO 2 /H 2 ), and natural gas and biogas sweetening (CO 2 /CH 4 ). Emerging polymeric membrane materials are discussed, including a few polymers containing a high content of polar functional groups (i.e., ether oxygen-rich polymers and polymeric ionic liquids), shape-persisting glassy polymers (i.e., perfluoropolymers, thermally rearranged polymers, iptycene-containing polymers), and reactive polymers featuring facilitated transport. Moreover, the promising candidates for each CO 2 separation application are highlighted. Lastly, the permeability-selectivity data reviewed were plotted against their 2008 and 2019 upper bounds.

08 HYDROGEN↗
DOE OSTI2026

Synergistic Solvent-Surface Interactions Enable Alkyne Semihydrogenation at Palladium

Enabling higher yield and better selectivity for fine-chemical synthesis through heterogeneous catalysis is intricately linked to the interplay of active sites, reaction conditions, and mass transfer influence provided by the catalyst. Alkyne semihydrogenation is ubiquitous in the production of bulk chemicals in the pharmaceutical, polymer, or fine-chemical industries, but product selectivity remains a major challenge. Here, in this study, we demonstrate that the design of catalysts encompassing nickel (Ni) foams as contiguous monolith supports, decorated with ultralow loading of Pd/PdO x nanoparticles on a carbonized polydopamine interface and tuned with a thin layer of Al 2 O 3 , in conjunction with an optimized reaction environment leads to highly selective alkyne semihydrogenation. The reactions demonstrate good functional group tolerance and applicability to flow reactor systems. Combined computational and experimental studies are presented to describe the synergistic effect between the solvent-surface interaction and the degree of Pd surface reduction that are necessary to promote this selectivity. The system highlights the opportunity for catalyst-solvent codesign as a benign alternative to more complex reactants featuring extrinsic poisons or less-favored dopants.

atomic layer deposition↗
DOE OSTI2025

Reversible parts-per-trillion-level detection of perfluorooctane sulfonic acid in tap water using field-effect transistor sensors

Widespread, persistent and toxic per- and polyfluoroalkyl substances (PFAS) pose a major threat to water systems and human health. Current detection methods are relatively expensive, slow and complex, underscoring the need for more accessible alternatives to meet increasingly stringent PFAS regulations. Here, in this study, we present an ultrasensitive sensing platform for perfluorooctane sulfonic acid detection in tap water with a reporting limit ( ~ 250 parts per quadrillion) lower than the US Environmental Protection Agency’s regulatory standard (4 parts per trillion), using a remote gate field-effect transistor featuring β-cyclodextrin (β-CD)-modified reduced graphene oxide as the sensing membrane. The sensor exhibits excellent selectivity against common inorganic ions, natural organic matter and select organic pollutants in tap water. The reversible and rapid response ( < 2 min) indicates the potential of remote gate field-effect transistor for continuous in-line monitoring. Mechanistic studies using quartz crystal microbalance and molecular dynamics simulations reveal key roles of analyte adsorption and charge properties in sensing performance and offer insights for designing more selective PFAS capture probes.

Wang, Yuqin [University of Chicago, IL (United Sta↗
DOE OSTI2025

Toward accelerating rare-earth metal extraction using equivariant neural networks

The separation of rare-earth metals, vital for numerous advanced technologies, is hampered by their similar chemical properties, making ligand discovery a significant challenge. Traditional experimental and quantum chemistry approaches for identifying effective ligands are often resource-intensive. We introduce a machine learning protocol based on an equivariant neural network, Allegro, for the rapid and accurate prediction of binding energies in rare-earth complexes. Key to this work is our newly curated dataset of rare-earth metal complexes—made publicly available to foster further research—systematically generated using the Architector program. This dataset distinctively features functionalized derivatives of proven rare-earth-chelating scaffolds, hydroxypyridinone (HOPO), catecholamide (CAM), and their thio-analogues, selected for their established efficacy in binding these elements. Trained on this valuable resource, our Allegro models demonstrate excellent performance, particularly when trained to directly predict DFT-level binding energies, yielding highly accurate results that closely correlate with theoretical calculations on a diverse test set. Furthermore, this strategy exhibited strong out-of-sample generalization, accurately predicting binding energies for an isomeric HOPO-derivative ligand not seen during training. By substantially reducing computational demands, this machine learning framework, alongside the provided dataset, represent powerful tools to accelerate the high-throughput screening and rational design of novel ligands for efficient rare-earth metal separation.

Gupta, Ankur K. [Lawrence Berkeley National Labora↗
DOE OSTI2022

Optical readout of singlet fission biexcitons in a heteroacene with photoluminescence detected magnetic resonance

Molecular spin systems based on photoexcited triplet pairs formed via singlet fission (SF) are attractive as carriers of quantum information because of their potentially pure and controllable spin polarization, but developing systems that offer optical routes to readout as well as initialization is challenging. Herein, we characterize the electron spin magnetic resonance change in the photoluminescence intensity for a tailored organic molecular crystal while sweeping a microwave drive up to 10 GHz in a broadband loop structure. We observe resonant transitions for both triplet and quintet spin sublevel populations showing their optical sensitivity and revealing the zero-field parameters for each. We map the evolution of these spectra in both microwave frequency and magnetic field, producing a pattern of optically detected magnetic resonance (ODMR) peaks. Fits to these data using a suitable model suggest significant spin polarization in this system with orientation selectivity. Unusual excitation intensity dependence is also observed, which inverts the sign of the ODMR signal for the triplet features, but not for the quintet. These observations demonstrate optical detection of the spin sublevel population dictated by SF and intermolecular geometry, and highlight anisotropic and multi-scale dynamics of triplet pairs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Polarized tip-enhanced Raman spectroscopy at liquid He temperature in ultrahigh vacuum using an off-axis parabolic mirror

Tip-enhanced Raman spectroscopy (TERS) combines inelastic light scattering well below the diffraction limit down to the nanometer range and scanning probe microscopy and, possibly, spectroscopy. In this way, topographic and spectroscopic as well as single- and two-particle information may simultaneously be collected. While single molecules can now be studied successfully, bulk solids are still not meaningfully accessible. It is the purpose of the work presented here to outline approaches toward this objective. We describe a home-built, liquid helium cooled, ultrahigh vacuum TERS. The setup is based on a scanning tunneling microscope and, as an innovation, an off-axis parabolic mirror having a high numerical aperture of ~0.85 and a large working distance. The system is equipped with a fast load-lock chamber, a chamber for the in situ preparation of tips, substrates, and samples, and a TERS chamber. Base pressure and temperature in the TERS chamber were ~3 × 10 –11 mbar and 15 K, respectively. Polarization dependent tip-enhanced Raman spectra of the vibration modes of carbon nanotubes were successfully acquired at cryogenic temperature. The new features described here including very low pressure and temperature and the external access to the light polarizations, thus the selection rules, may pave the way toward the investigation of bulk and surface materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

OC6 Project Phase IV: Validation of Numerical Models for Novel Floating Offshore Wind Support Structures

The fourth phase of the Offshore Code Comparison, Collaboration, Continued, with Correlation and unCertainty (OC6) aims to assess the ability of the tools to model a novel floating wind design. The design that was selected for this project is the TetraSpar designed by Stiesdal Offshore Technologies. The platform is a unique design that features a spar like stability with a very low center of gravity, but does not require deep-water ports. This combination is achieved with a system made of two separate steel structures, a hull at the water’s surface that supports the wind turbine tower, and a keel that is suspended below the main body. This lower keel has a very high density and drives the total platform’s low center of gravity. Scaled model tests of the TetraSpar design were performed in 2018-2019 by the University of Maine. The tests were performed with 1:43 Froude scaling. The data collected in the model tests provide a detailed description of the response of the platform in various controlled and relatively well understood conditions. Comparison with these data provides a good opportunity for validation of numerical models. The OC6 Phase IV work will focus on the specific parameters used in these scaled model tests. The load cases (LC) considered in this project are as follows: LC 1.X - Equilibrium and Static Offset Tests LC 2.X - Platform Free Decays LC 3.X - Turbine Thrust (Wind Only) LC 4.X - Regular and Irregular Waves (Wave only) LC 5.X - Combined Wind and Wave Loading

17 WIND ENERGY↗
DOE OSTI2023

Non-reactive facet specific adsorption as a route to remediation of chlorinated organic contaminants

The present work quantifies metal-contaminant interactions between palladium substrates and three salient chlorinated organic contaminants, namely trichloroethylene 1,3,5-trichlorobenzene (TCB), and 3,3′,4,4′-tetrachlorobiphenyl (PCB77). Given that Pd is one of the conventional catalytically active materials known for contaminant removal, maximizing catalytic efficiency through optimal adsorption dynamics reduces the cost of remediation of contaminants that are persistent water pollutants chronically affecting public health. Adsorption efficiency analyses from all-atom molecular dynamics (MD) simulations advance the understanding of reaction mechanisms available from density functional theory (DFT) calculations to an extractable feature scale that can fit the parametric design of supported metal catalytic systems and feed into high throughput catalyst selection. Data on residence time, site-specific adsorption, binding energies, packing geometries, orientation profiles, and the effect of adsorbate size show the anomalous behaviour of organic contaminant adsorption on the undercoordinated {110} surface as compared to the {111} and {100} surfaces. The intermolecular interaction within contaminants from molecular dynamics simulation exhibits refreshing results than ordinary single molecule density functional theory calculation. Since complete adsorption and dechlorination is an essential step for chlorinated organic contaminant remediation pathways, the presented profiles provide essential information for designing efficient remediation systems through facet-controlled palladium nanoparticles.

Guo, Hao↗
DOE OSTI2022

BASS. XXIV. The BASS DR2 Spectroscopic Line Measurements and AGN Demographics

We present the second catalog and data release of optical spectral line measurements and active galactic nucleus (AGN) demographics of the BAT AGN Spectroscopic Survey, which focuses on the Swift-BAT hard X-ray detected AGNs. We use spectra from dedicated campaigns and publicly available archives to investigate spectral properties of most of the AGNs listed in the 70 month Swift-BAT all-sky catalog; specifically, 743 of the 746 unbeamed and unlensed AGNs (99.6%). We find a good correspondence between the optical emission line widths and the hydrogen column density distributions using the X-ray spectra, with a clear dichotomy of AGN types for N H = 10 22 cm –2 . Based on optical emission-line diagnostics, we show that 48%–75% of BAT AGNs are classified as Seyfert, depending on the choice of emission lines used in the diagnostics. The fraction of objects with upper limits on line emission varies from 6% to 20%. Roughly 4% of the BAT AGNs have lines too weak to be placed on the most commonly used diagnostic diagram, [O iii ]λ5007/Hβ versus [N ii ]λ6584/Hα, despite the high signal-to-noise ratio of their spectra. This value increases to 35% in the [O iii ]λ5007/[O ii ]λ3727 diagram, owing to difficulties in line detection. Compared to optically selected narrow-line AGNs in the Sloan Digital Sky Survey, the BAT narrow-line AGNs have a higher rate of reddening/extinction, with Hα/Hβ > 5 (~36%), indicating that hard X-ray selection more effectively detects obscured AGNs from the underlying AGN population. Finally, we present a subpopulation of AGNs that feature complex broad lines (34%, 250/743) or double-peaked narrow emission lines (2%, 17/743).

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

An overview of geologic results from Mariner 9

A summary of Mariner 9 mission operations insofar as they affected acquisition of geologic data is reported. Selected results with a minimum of supporting evidence are presented to give the geologic highlights of the mission. Volcanic features, tectonic features, channels, polar features, eolian features, impact craters, and the geological history of Mars are outlined.

Masursky, H.↗
NASA NTRS1974

New polymer systems: Chain extension by dianhydrides

Three anhydrides provide effective chain extension of hydroxy-terminated polyalkylene oxides and polybutadienes. Novel feature of these anhydride reactants is that they are difunctional as anhydrides, but they are tetrafunctional if conditions are selected that lead to total esterification or reaction of all carboxyl groups.

Rhein, R. A.↗
NASA NTRS1974

The ERTS-1 investigation (ER-600). Volume 1: ERTS-1 agricultural analysis

The Agriculture Analysis Team of the Johnson Space Center conducted a 1-year-long investigation of ERTS-1 multispectral data to evaluate how well features of agricultural importance could be detected, identified, and located; and their areal extent measured. Six study areas were selected in cooperation with the U.S. Department of Agriculture. Two basic analytical approaches were used to meet the objectives. The conventional image interpretation technique revealed that a particular color was an indication of the density of vegetative cover, not an indication of crop classification. Computer-aided techniques were used to classify crop types (i.e., small grains, truck farm crops, grasses, summer fallow) to accuracies as high as 95 percent on large (12 hectares or more) well-defined fields. A further breakdown into crop species (wheat, barley, soybeans, oats, corn) reduced the accuracy to 70 to 80 percent for single-date observations.

Erb, R. B.↗
NASA NTRS1980

The pointable multispectral linear array system and the large format camera for early 1980 shuttle payloads

Design options are described for the multispectral linear arrays which will provide data and facilities beyond those obtained by LANDSAT 1, 2, 3, and D (the thematic mapper) are considered. The features, uses, and risks of a 10M fine resolution pointable imager, a 15M/30M dual resolution pointable imager, a 30M selectable spectral resolution pointing imager, a 30M electronically pointable multi-temporal sampler, and a 40M/80M mixed resolution imager are described. A large format camera scheduled for 1981 shuttle launch which can obtain high spatial ground resolution (approximately 10M), a relative position accuracy of plus or minus 14M, and a relative heightening accuracy, by virtue of stereographic coverage, of between 7 and 28M depending on the base-to-height ratio used. A potential problem of the system is that it will orbit in the shuttle.

Slater, P. N.↗
NASA NTRS1979

Martian channel morphology - Maja and Kasei Valles

Detailed geomorphic mapping from Viking imagery of selected portions of Kasei Vallis, Maja Vallis, and vicinity reveals numerous similarities of channel morphology to erosional and depositional features of the Channeled Scabland. Characteristic scabland landforms which occur in Kasei and Maja Valles include erosional grooves, streamlined uplands and hills, scour zones around flow obstacles, inner channels with erosional head cuts, breached ridges and basin (crater) rims, pendant forms (bars), erosional terracing of streamlined hills and channel margins, and possible midchannel bars. These features constitute an assemblage of landforms which on earth is most characteristic of catastrophic flood channeling in jointed bedrock. Prominent mass wastage and sapping features are associated with the high-wall relief in lower Kasei Vallis. Many cliffs along the channel margins exhibit steep upper slopes and gentler lower talus slopes which form the spur-and-gully topography that has also been described along chasma walls in the Valles Marineris. Landslides, debris fans, and debris cones can also be recognized. Much less wall modification occurs in the shallower Maja Vallis. Probably, the steep escarpments of Kasei were created by tectonic processes and subsequent channel incision. These escarpments later receded by mass wasting and sapping.

Baker, V. R.↗
NASA NTRS1986

Thin-sectioning and microanalysis of individual extraterrestrial particles

A long standing constraint on the study of micrometeorites has centered on difficulties in preparing them for analysis. This is due largely to their small dimensions and consequent practical limitations on sample manipulation. Chondritic micrometeorites provide a good example; although much has been learned about their chemistry and mineralogy almost nothing was known about such basic properties as texture and petrographic associations. The only way to assess such properties is to examine microstructure indigenous to the particles. Unfortunately, almost all micrometeorites, out of necessity, have been crushed and dispersed onto appropriate substances prior to analysis, and most information about texture and petrography was lost. Recently, thin-sections of individual extraterrestrial particles have been prepared using an ultramicrotome equipped with a diamond knife. This procedure has been applied to stratospheric micrometeorites and Solar Max impact debris. In both cases the sections have enabled observation of a variety of internal particle features, including textures, porosity, and petrographic associations. The sectioning procedure is described and analysis results for chondritic micrometeoroids and select particles from Solar Max are presented.

Bradley, J. P.↗
NASA NTRS1987

Structural dynamics and attitude control study of early manned capability space station configurations

A study was performed to determine the vibration and attitude control characteristics of critical space station configurations featuring early manned capability during buildup from initial user support through the operations capability reference station. Five configurations were selected and were examined thus determining the changes that are likely to occur in the characteristics of the system as the station progresses from a single boom structure to a mature, dual keel, operations capability reference station. Both 9 foot and 5 meter truss bay sizes were investigated. All configurations analyzed were stable; however, the 5 meter truss bay size structure exhibited superior stability characteristics.

Ayers, J. Kirk↗