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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 127 records · Page 7

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NASA NTRS1976

Machine processing of remotely acquired data

The two major branches of remote sensing are based on image orientation and numerical orientation. Numerically oriented systems tend to involve computers for data analysis. In designing an information-gathering system, the sensor as well as the means of analysis must be well mated to the type of system orientation. Attention is given to sensor types as related to system types, the multispectral approach and pattern recognition, the multispectral scanner as data source, an illustrative example, procedural details in the use of pattern recognition, the speed and cost of data processing, the use of spatial information, and data preprocessing steps.

Landgrebe, D. A.↗

NASA NTRS2010

Designing and Implementing an OVERFLOW Reader for ParaView and Comparing Performance Between Central Processing Units and Graphical Processing Units

In the Applied Aerosciences and CFD branch at Johnson Space Center, computational simulations are run that face many challenges. Two of which are the ability to customize software for specialized needs and the need to run simulations as fast as possible. There are many different tools that are used for running these simulations and each one has its own pros and cons. Once these simulations are run, there needs to be software capable of visualizing the results in an appealing manner. Some of this software is called open source, meaning that anyone can edit the source code to make modifications and distribute it to all other users in a future release. This is very useful, especially in this branch where many different tools are being used. File readers can be written to load any file format into a program, to ease the bridging from one tool to another. Programming such a reader requires knowledge of the file format that is being read as well as the equations necessary to obtain the derived values after loading. When running these CFD simulations, extremely large files are being loaded and having values being calculated. These simulations usually take a few hours to complete, even on the fastest machines. Graphics processing units (GPUs) are usually used to load the graphics for computers; however, in recent years, GPUs are being used for more generic applications because of the speed of these processors. Applications run on GPUs have been known to run up to forty times faster than they would on normal central processing units (CPUs). If these CFD programs are extended to run on GPUs, the amount of time they would require to complete would be much less. This would allow more simulations to be run in the same amount of time and possibly perform more complex computations.

Chawner, David M.↗

NASA NTRSDate not supplied

Fostering Better Collaboration in Software Development Cycles Between Scientists and Programmers to Ensure the Integrity of and Promote the Development of New Scientific Data Products.

Misaligned incentives lead to reduced interaction between scientists and programmers on modern NASA science data-product development teams. Typically, situations arise where the scientist is not incentivized to learn modern coding practices and the programmer does not understand the science algorithms in the code. A programmer is responsible for the deliverable code thus setting a tradeoff between the desire for code improvement versus fear of compromising the integrity of data-product while the scientist continues to rely on their legacy codebases owing to the complexity of using the delivered code outside the processing environment and lack of validation modules. The NASA/CERES-TISA project has adopted a collaborative approach, with scientists and programmers both utilizing the same software repository with multiple branches, some optimized for delivery to a processing datacenter and others for scientific product development and validation. A team of scientists and programmers jointly review any new science code updates for integration into the codebase and strive to improve practices through promoting algorithm understanding, better institutional knowledge exchange and documentation, modularization, and developing data processing flow-dictated validation and debugging methods. This leads to a reduction in the personnel single point failures and reduced development time for creation of new science data-products.

CERES↗

DOE OSTI2022

A single-Pt-atom-on-Ru-nanoparticle electrocatalyst for CO-resilient methanol oxidation

Single Pt atom catalysts are key targets because a high exposure of Pt substantially enhances electrocatalytic activity. In addition, PtRu alloy nanoparticles are the most active catalysts for the methanol oxidation reaction. To combine the exceptional activity of single Pt atom catalysts with an active Ru support we must overcome the synthetic challenge of forming single Pt atoms on noble metal nanoparticles. In this report we demonstrate a process that grows and spreads Pt islands on Ru branched nanoparticles to create single-Pt-atom-on-Ru catalysts. By following the spreading process by in situ TEM, we found that the formation of a stable single atom structure is thermodynamically driven by the formation of strong Pt–Ru bonds and the lowering of the surface energy of the Pt islands. The stability of the single-Pt-atom-on-Ru structure and its resilience to CO poisoning result in a high current density and mass activity for the methanol oxidation reaction over time.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Amplitude analysis and branching fraction measurement of the decay $D_s^{+} → K^+π^+π^-$

Using 6.32 fb -1 of e + e - collision data collected at the center-of-mass energies between 4.178 and 4.226 GeV with the BESIII detector, we perform an amplitude analysis of the decay D$^+_s$ → K + π + π - and determine the amplitudes of the various intermediate states. The absolute branching fraction of D$^+_s$ → K + π + π - is measured to be (6.11 ± 0.18 stat. ± 0.11 syst. ) x 10 -3 . The branching fractions of the dominant intermediate processes D$^+_s$ → K + ρ 0 , ρ 0 → π + π - and D$^+_s$ → K*(892) 0 π + , K*(892) 0 → K + π - are determined to be (1.96 ± 0.19 stat . ± 0.23 syst. ) x 10 -3 and (1.85 ± 0.12 stat . ± 0.13 syst .) x 10 -3 , respectively. The intermediate resonances f 0 (500), f 0 (980), and f 0 (1370) are observed for the first time in this channel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2004

Propulsion Airframe Aeroacoustics Technology Evaluation and Selection Using a Multi-Attribute Decision Making Process and Non-Deterministic Design

The Systems Analysis Branch at NASA Langley Research Center has investigated revolutionary Propulsion Airframe Aeroacoustics (PAA) technologies and configurations for a Blended-Wing-Body (BWB) type aircraft as part of its research for NASA s Quiet Aircraft Technology (QAT) Project. Within the context of the long-term NASA goal of reducing the perceived aircraft noise level by a factor of 4 relative to 1997 state of the art, major configuration changes in the propulsion airframe integration system were explored with noise as a primary design consideration. An initial down-select and assessment of candidate PAA technologies for the BWB was performed using a Multi-Attribute Decision Making (MADM) process consisting of organized brainstorming and decision-making tools. The assessments focused on what effect the PAA technologies had on both the overall noise level of the BWB and what effect they had on other major design considerations such as weight, performance and cost. A probabilistic systems analysis of the PAA configurations that presented the best noise reductions with the least negative impact on the system was then performed. Detailed results from the MADM study and the probabilistic systems analysis will be published in the near future.

Burg, Cecile M.↗

DOE OSTI2021

Dl-3-n-butylphthalide promotes neurite outgrowth of primary cortical neurons by Sonic Hedgehog signaling via upregulating Gap43

Highlights: • NBP promoted neurite outgrowth in immature primary cortical neurons. • NBP increased axon and dendrite extension in mature primary cortical neurons. • NBP promoted neuritogenesis and neuronal plasticity via Shh signaling pathway. • The Shh signaling pathway increased Gap43 expression in primary cortical neuron. • NBP promoted neurite outgrowth by Shh signaling via upregulating Gap43 expression. Neurite outgrowth is the basis for wiring during the development of the nervous system. Dl-3-n-butylphthalide (NBP) has been recognized as a promising treatment to improve behavioral, neurological and cognitive outcomes in ischemic stroke. However, little is known about the effect and mechanism of NBP on the neurite outgrowth. In this study, we used different methods to investigate the potential effects of NBP on the neurite extension and plasticity of immature and mature primary cortical neurons and explored the underlying mechanisms. Our results demonstrated that in immature and mature cortical neurons, NBP promoted the neurite length and intersections, increased neuritic arborization, elevated numbers of neurite branch and terminal points and improved neurite complexity and plasticity of neuronal development processes. Besides, our data revealed that NBP promoted neurite extension and branching partly by activating Shh signaling pathway via increasing Gap43 expression both in immature and mature primary cortical neurons. The present study provided new insights into the contribution of NBP in neuronal plasticity and unveiled a novel pathway to induce Gap43 expression in primary cortical neurons.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Light(ly)-coupled dark matter in the keV range: freeze-in and constraints

Dark matter produced from thermal freeze-out is typically restricted to have masses above roughly 1 MeV. However, if the couplings are small, the freeze-in mechanism allows for production of dark matter down to keV masses. We consider dark matter coupled to a dark photon that mixes with the photon and dark matter coupled to photons through an electric or magnetic dipole moment. We discuss contributions to the freeze-in production of such dark matter particles from standard model fermion-antifermion annihilation and plasmon decay. We also derive constraints on such dark matter from the cooling of red giant stars and horizontal branch stars, carefully evaluating the thermal processes as well as the bremsstrahlung process that dominates for masses above the plasma frequency. We find that the parameters needed to obtain the observed relic abundance from freeze-in are excluded below a few tens of keV, depending on the value of the dark gauge coupling constant for the dark photon portal model, and below a few keV, depending on the reheating temperature for dark matter with an electric or magnetic dipole moment. While laboratory probes are unlikely to probe these freeze-in scenarios in general, we show that for dark matter with an electric or magnetic dipole moment and for dark matter masses above the reheating temperature, the couplings needed for freeze-in to produce the observed relic abundance can be probed partially by upcoming direct-detection experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Resolving the ($\mathscr{g}$-2)$_μ$ discrepancy with $\mathcal{F}$–SU(5) intersecting D-branes

A discrepancy between the measured anomalous magnetic moment of the muon (g - 2) μ and computed Standard Model value now stands at a combined 4.2σ following experiments at Brookhaven National Lab (BNL) and the Fermi National Accelerator Laboratory (FNAL). A solution to the disagreement is uncovered in flipped SU(5) with additional TeV-Scale vector-like 10 +$\bar{10}$ multiplets and charged singlet derived from local F-Theory, collectively referred to as $\mathcal {F}$-SU(5). Here we engage general No-Scale supersymmetry (SUSY) breaking in $\mathcal {F}$-SU(5) D-brane model building to alleviate the (g-2)μ. tension between the Standard Model and observations. A robust Δa μ (SUSY) is realized via mixing of M 5 and M 1X at the secondary SU(5) x U(1) X unification scale in $\mathcal {F}$-SU(5) emanating from SU(5) breaking and U(1) X flux effects. Calculations unveil Δa μ (SUSY) = 19.0-22.3 x 10 -10 for gluino masses of M($\tilde{g}$ = 2.25-2.56 TeV nd higgsino dark matter, aptly residing within the BNL+FNAL 1σ mean. This (g – 2)μ favorable region of the model space also generates the correct light Higgs boson mass and branching ratios of companion rare decay processes, and is further consistent with all LHC Run 2 constraints. Finally, we also examine the heavy SUSY Higgs boson in light of recent LHC searches for an extended Higgs sector.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Multiple redox mechanisms for water-gas shift reaction on Fe 3 O 4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study

In this work, we investigated redox mechanisms for the high temperature (HT) water–gas shift reaction (WGSR) on the Fe 3 O 4 (1 1 1) surface using density functional theory (DFT) calculations and mean-field microkinetic modeling (MKM). The redox pathways branched into three Langmuir-Hinshelwood processes (LH1, LH2 and LH3) and one Mars-van-Krevelen (MVK) process (in the presence of oxygen vacancy) from multidentate binding of CO and CO 2 over four available reactive sites (Fe oct2 , Fe tet1 , Fe bridge, and O1). We found that the LH1 and LH2 processes have CO adsorption at a single iron site (Fe oct2 or Fe tet1 ), while the LH3 and MVK processes have stronger chemisorption of CO or CO 2 by both the Fe oct2 site and the O 1 site. From the mechanistic study of these reaction path, we recognized that availability of O 1 sites was key to proceed to either CO oxidation by the single site (LH1, LH2) or by the dual site (LH3, MVK). We observed that the reaction energetics were significantly different in the CO oxidation steps, where the single or dual site results in markedly different apparent activation energy (73–281 kJ/mol) and reaction rates (10 -3 –10 -10 mol∙m -2 ∙s -1 ) among the four reaction mechanisms. The utilization of mean field MKM with DFT reaction energetics helps explain the experimental debates for the catalytic reaction details as well as providing a possible direction to engineer the catalyst with higher activity.

42 ENGINEERING↗

DOE OSTI2025

Language models for materials discovery and sustainability: Progress, challenges, and opportunities

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI’s GPT-3.5/4 and the recent release of GPT-4.5, which have sparked a global surge of interest akin to an NLP gold rush. Here, in this article, we offer our perspective on the development and application of NLP and large language models (LLMs) in materials science. We begin by presenting an overview of recent advancements in NLP within the broader scientific landscape, with a particular focus on their relevance to materials science. Next, we examine how NLP can facilitate the understanding and design of novel materials and its potential integration with other methodologies. To highlight key challenges and opportunities, we delve into three specific topics: (i) the limitations of LLMs and their implications for materials science applications, (ii) the creation of a fully automated materials discovery pipeline, and (iii) the potential of GPT-like tools to synthesize existing knowledge and aid in the design of sustainable materials.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Imaging Three-Dimensional Molecular Structure and Dynamics with Multiparticle Covariance and Cumulant Coulomb Explosion Analysis

Coulomb explosion imaging (CEI) provides a direct means of imaging molecular geometry by correlating fragment ion momenta following the fragmentation of a molecular polycation. Here, we demonstrate the use of three-body covariance and four-body cumulant analysis to extract three-dimensional (3D) structural information from the X-ray-induced Coulomb explosion of tert-butyl iodide (C4H9I). Site-selective ionization at the iodine 4d edge with intense femtosecond soft X-ray pulses from an X-ray free-electron laser (XFEL) enables rapid charge buildup and molecular breakup. By correlating ionic fragments in the molecular frame, we isolate complete dissociation channels and reveal subtle structural changes, such as umbrella-type motion of the branched alkyl chain, during the ionization process. Comparison with point-charge simulations of the Coulomb explosion shows close agreement, validating the approach. Furthermore, these results establish covariance/cumulant mapping as a powerful strategy for imaging complex three-dimensional molecular structures and point the way toward time-resolved CEI using both XFEL and tabletop sources for capturing ultrafast structural dynamics.

Imaging↗

DOE OSTI2024

Improved measurement of the decays η ′ → π + π − π + ( 0 ) π − ( 0 ) and search for the rare decay η ′ → 4 π 0

Using a sample of 10 billion J / ψ events collected with the BESIII detector, the decays η ′ → π + π − π + π − , η ′ → π + π − π 0 π 0 and η ′ → 4 π 0 are studied via the process J / ψ → γ η ′ . The branching fractions of η ′ → π + π − π + π − and η ′ → π + π − π 0 π 0 are measured to be ( 8.56 ± 0.25 ( stat ) ± 0.23 ( syst ) ) × 10 − 5 and ( 2.12 ± 0.12 ( stat ) ± 0.10 ( syst ) ) × 10 − 4 , respectively, which are consistent with previous measurements but with improved precision. No significant η ′ → 4 π 0 signal is observed, and the upper limit on the branching fraction of this decay is determined to be less than 1.24 × 10 − 5 at the 90% confidence level. In addition, an amplitude analysis of η ′ → π + π − π + π − is performed to extract the doubly virtual isovector form factor α for the first time. The measured value of α = 1.22 ± 0.33 ( stat ) ± 0.04 ( syst ) , is in agreement with the prediction of the vector meson dominance model. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2025

Study of η → π + π − l + l −

Using a sample of ( 10087 ± 44 ) × 10 6 J / ψ events accumulated with the BESIII detector, we analyze the decays η → π + π − l + l − ( l = e or μ ) via the process J / ψ → γ η . The branching fraction of η → π + π − e + e − is measured to be B ( η → π + π − e + e − ) = ( 3.07 ± 0.1 2 stat ± 0.1 9 syst ) × 10 − 4 . No signal events are observed for the η → π + π − μ + μ − decay, leading to an upper limit on the branching fraction of B ( η → π + π − μ + μ − ) < 4.0 × 10 − 7 at the 90% confidence level. Furthermore, the C P -violation asymmetry parameter is found to be A C P ( η → π + π − e + e − ) = ( − 4.04 ± 4.6 9 stat ± 0.1 4 syst ) % , showing no evidence of C P -violation with current statistics. Additionally, we extract the transition form factor from the decay amplitude of η → π + π − e + e − . Finally, axionlike particles are searched for via the decay η → π + π − a , a → e + e − , and upper limits on this branching fraction relative to that of η → π + π − e + e − are presented as a function of the axionlike particle mass in the range 5 – 200 MeV / c 2 . Published by the American Physical Society 2025

Ablikim, M.↗

DOE OSTI2023

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

Microscopic stardust grains, found in trace amounts in primitive meteorites, afford a unique opportunity to study stellar nucleosynthesis in the laboratory by measuring their heavy element isotopic compositions. Applying LLNL’s state-of-the art material characterization capabilities to these micrometer-sized grains yields large new datasets with unprecedented precision. However, the astrophysical models necessary to interpret the isotopic record require improved nuclear physics data to constrain stellar nucleosynthesis conditions. For example, the branch point in the s-process path at 95 Zr controls the relative amounts of heavier nuclides but is poorly understood. We conducted a coordinated effort across disciplines to combine a new determination of the neutron capture cross section of 95 Zr with the laboratory analysis of hundreds of stardust grains to yield a view into stellar interiors. We developed new methods to quantify multiple isotopic systems simultaneously (e.g., Zr, Ba, and W) in stardust grains and improved the determination of the neutron capture cross section of unstable 95 Zr via the surrogate reaction method. This interdisciplinary approach is allowing us to fill gaps in our understanding of the environments in which elements are produced while enhancing LLNL’s experimental and theoretical capabilities relevant to nuclear threat reduction missions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2023

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS1980

Inelastic behavior of structural components

A more accurate procedure was developed for the determination of the inelastic behavior of structural components. The actual stress-strain curve for the mathematical of the structure was utilized to generate the force-deformation relationships for the structural elements, rather than using simplified models such as elastic-plastic, bilinear and trilinear approximations. relationships were generated for beam elements with various types of cross sections. In the generational of these curves, stress or load reversals, kinematic hardening and hysteretic behavior were taken into account. Intersections between loading and unloading branches were determined through an iterative process. Using the inelastic properties obtained, the plastic static response of some simple structural systems composed of beam elements was computed. Results were compared with known solutions, indicating a considerable improvement over response predictions obtained by means of simplified approximations used in previous investigations.

Hussain, N.↗

NASA NTRS1988

Far-infrared data for symbiotic stars. II - The IRAS survey observations

IRAS survey data for all known symbiotic binaries are reported. S type systems have 25 micron excesses much larger than those of single red giant stars, suggesting that these objects lose mass more rapidly than do normal giants. D type objects have far-IR colors similar to those of Mira variables, implying mass-loss rate of about 10 to the -6th solar masses/yr. The near-IR extinctions of the D types indicate that their Mira components are enshrouded in optically thick dust shells, while their hot companions lie outside the shells. If this interpretation of the data is correct, then the very red near-IR colors of D type symbiotic stars are caused by extreme amounts of dust absorption rather than dust emission. The small group of D prime objects possesses far-IR colors resembling those of compact planetary nebulae or extreme OH/IR stars. It is speculated that these binaries are not symbiotic stars at all, but contain a hot compact star and an exasymptotic branch giant which is in the process of ejecting a planetary nebula shell.

Kenyon, S. J.↗