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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Experimental and Theoretical Confirmation of Covalent Bonding in α‐Pu

Plutonium's radioactivity provides functionality for nuclear batteries, nuclear reactors, etc., but its complex electronic properties harbor strongly correlated behavior giving rise to a host of interesting phenomena including the presence of a ca. 25% volume collapse between δ-Pu and α-Pu. The complex bonding environments of the ground state allotrope, α-Pu, serve as a unique testing ground for new computational and experimental approaches within the Pu science community. For the first time, a combination of novel ansatzes is used in all-electron density functional theory (DFT) and pair distribution functions (PDF) obtained from high-Q X-ray diffraction to study the bonding behavior in α-Pu. This first experimental and theoretical co-informed description of local bonding behavior for α-Pu reveals covalent bonds, which is a topic that remains of interest in this allotrope. The covalent bonding present at the atomistic level accounts for several of α-Pu's macropscopic properties (e.g., Poisson's ratio) that in turn explains its physical functionalities relative to other allotropic phases like δ-Pu.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment

Here we present the results for CAPRI Round 50, the fourth joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of twelve targets, including six dimers, three trimers, and three higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly related templates were found for the individual subunits. Twenty-five CAPRI groups including eight automatic servers submitted ~1250 models per target. Twenty groups including six servers participated in the CAPRI scoring challenge submitted ~190 models per target. The accuracy of the predicted models was evaluated using the classical CAPRI criteria. The prediction performance was measured by a weighted scoring scheme that takes into account the number of models of acceptable quality or higher submitted by each group as part of their five top-ranking models. Compared to the previous CASP-CAPRI challenge, top performing groups submitted such models for a larger fraction (70–75%) of the targets in this Round, but fewer of these models were of high accuracy. Scorer groups achieved stronger performance with more groups submitting correct models for 70–80% of the targets or achieving high accuracy predictions. Servers performed less well in general, except for the MDOCKPP and LZERD servers, who performed on par with human groups. In addition to these results, major advances in methodology are discussed, providing an informative overview of where the prediction of protein assemblies currently stands.

protein complexes↗
DOE OSTI2024

Antisolvent‐Mediated Air Quench for High‐Efficiency Air‐Processed Carbon‐Based Planar Perovskite Solar Cells

Perovskite solar cells (PSCs) have becoma a leading low‐cost photovoltaic technology, achieving power conversion efficiencies (PCEs) of up to 26.1%. However, their commercialization is hindered by stability issues and the need for controlled processing environments. Carbon‐electrode‐based PSCs (C‐PSCs) offer enhanced stability and cost‐effectiveness compared to traditional metal‐electrode PSCs, i.e., Au and Ag. However, processing challenges persist, particularly in air conditions where moisture sensitivity poses a significant hurdle. Herein, a novel air processing technique is presented for planar C‐PSCs that incorporates antisolvent vapors, such as chlorobenzene, into a controlled air‐quenching process. This method effectively mitigates moisture‐induced instability, resulting in champion PCEs exceeding 20% and robust stability under ambient conditions. The approach retains 80% of initial efficiency after 30 h of operation at maximum power point without encapsulation. This antisolvent‐mediated air‐quenching technique represents a significant advancement in the scalable production of C‐PSCs, paving the way for future large‐scale deployment.

14 SOLAR ENERGY↗
DOE OSTI2024

Soybean genomics research community strategic plan: A vision for 2024–2028

Abstract This strategic plan summarizes the major accomplishments achieved in the last quinquennial by the soybean [Glycine max(L.) Merr.] genetics and genomics research community and outlines key priorities for the next 5 years (2024–2028). This work is the result of deliberations among over 50 soybean researchers during a 2‐day workshop in St Louis, MO, USA, at the end of 2022. The plan is divided into seven traditional areas/disciplines: Breeding, Biotic Interactions, Physiology and Abiotic Stress, Functional Genomics, Biotechnology, Genomic Resources and Datasets, and Computational Resources. One additional section was added, Training the Next Generation of Soybean Researchers, when it was identified as a pressing issue during the workshop. This installment of the soybean genomics strategic plan provides a snapshot of recent progress while looking at future goals that will improve resources and enable innovation among the community of basic and applied soybean researchers. We hope that this work will inform our community and increase support for soybean research.

Genetics & Heredity↗
DOE OSTI2023

A Vision for Coupling Operation of US Fusion Facilities with HPC Systems and the Implications for Workflows and Data Management

The operation of large US Department of Energy (DOE) research facilities, like the DIII-D National Fusion Facility, results in the collection of complex multi-dimensional scientific datasets, both experimental and model-generated. In the future, it is envisioned that integrated data analysis coupled with large-scale high performance computing (HPC) simulations will be used to improve experimental planning and operation. Practically, massive data sets from these simulations provide the physics basis for generation of both reduced semi-analytic and machine-learning-based models. Storage of both HPC simulation datasets (generated from US DOE leadership computing facilities) and experimental datasets presents significant challenges. In this paper, we present a vision for a DOE-wide data management workflow that integrates US DOE fusion facilities with leadership computing facilities. Data persistence and long-term availability beyond the length of allocated projects is essential, particularly for verification and recalibration of artificial intelligence and machine learning (AI/ML) models. Because these data sets are often generated and shared among hundreds of users across multiple leadership computing facility centers, they would benefit from cross-platform accessibility, persistent identifiers (e.g. DOI, or digital object identifier), and provenance tracking. Here, the ability to handle different data access patterns suggests that a combination of low cost, high latency (e.g. for storing ML training sets) and high cost, low latency systems (e.g. for real-time, integrated machine control feedback) may be needed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Measurement of J/ψ production in association with a W± boson with pp data at 8 TeV

A measurement of the production of a prompt J/ψ meson in association with a W ± boson with W± → μν and J/ψ → μ + μ - is presented for J/ψ transverse momenta in the range 8.5–150 GeV and rapidity |y J/ψ | < 2.1 using ATLAS data recorded in 2012 at the LHC. The data were taken at a proton-proton centre-of-mass energy of $\sqrt{s}$ = 8 TeV and correspond to an integrated luminosity of 20.3 fb -1 . The ratio of the prompt J/ψ plus W ± cross-section to the inclusive W ± cross-section is presented as a differential measurement as a function of J/ψ transverse momenta and compared with theoretical predictions using different double-parton-scattering cross-sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Measurements of top-quark pair single- and double-differential cross-sections in the all-hadronic channel in pp collisions at $ \sqrt{\mathrm{s}} $ = 13 TeV using the ATLAS detector

Differential cross-sections are measured for top-quark pair production in the all-hadronic decay mode, using proton-proton collision events collected by the ATLAS experiment in which all six decay jets are separately resolved. Absolute and normalised single- and double-differential cross-sections are measured at particle and parton level as a function of various kinematic variables. Emphasis is placed on well-measured observables in fully reconstructed final states, as well as on the study of correlations between the top-quark pair system and additional jet radiation identified in the event. The study is performed using data from proton-proton collisions at s = 13 TeV collected by the ATLAS detector at CERN’s Large Hadron Collider in 2015 and 2016, corresponding to an integrated luminosity of 36.1 fb - 1 . The rapidities of the individual top quarks and of the top-quark pair are well modelled by several independent event generators. Significant mismodelling is observed in the transverse momenta of the leading three jet emissions, while the leading top-quark transverse momentum and top-quark pair transverse momentum are both found to be incompatible with several theoretical predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Measurement of hadronic event shapes in high-p T multijet final states at $ \sqrt{s} $ = 13 TeV with the ATLAS detector

A measurement of event-shape variables in proton-proton collisions at large momentum transfer is presented using data collected at $ \sqrt{s} $ = 13 TeV with the ATLAS detector at the Large Hadron Collider. Six event-shape variables calculated using hadronic jets are studied in inclusive multijet events using data corresponding to an integrated luminosity of 139 fb -1 . Measurements are performed in bins of jet multiplicity and in different ranges of the scalar sum of the transverse momenta of the two leading jets, reaching scales beyond 2 TeV. These measurements are compared with predictions from Monte Carlo event generators containing leading-order or next-to-leading order matrix elements matched to parton showers simulated to leading-logarithm accuracy. At low jet multiplicities, shape discrepancies between the measurements and the Monte Carlo predictions are observed. At high jet multiplicities, the shapes are better described but discrepancies in the normalisation are observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Search for exotic decays of the Higgs boson into $b\bar{b}$ and missing transverse momentum in $pp$ collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the exotic decay of the Higgs boson (H) into a $b\bar{b}$ resonance plus missing transverse momentum is described. The search is performed with the ATLAS detector at the Large Hadron Collider using 139 fb -1 of pp collisions at $\sqrt{s}$ = 13 TeV. The search targets events from $ZH$ production in an NMSSM scenario where H → $\tilde{χ}^0_2\tilde{χ}^0_1$, with $\tilde{χ}^0_2$ → a$\tilde{χ}^0_1$, where a is a light pseudoscalar Higgs boson and $\tilde{χ}^0_{1,2}$ are the two lightest neutralinos. The decay of the a boson into a pair of b-quarks results in a peak in the dijet invariant mass distribution. The final-state signature consists of two leptons, two or more jets, at least one of which is identified as originating from a b-quark, and missing transverse momentum. Observations are consistent with Standard Model expectations and upper limits are set on the product of cross section times branching ratio for a three-dimensional scan of the masses of the $\tilde{χ}^0_2\tilde{χ}^0_1$ and a boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗