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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 415 records · Page 23

Neural operator transformers capture bifurcating drift-wave turbulence in fusion plasma simulations

Self-consistent modeling of turbulence-driven transport is critical for optimizing confinement in magnetically confined fusion plasmas, such as tokamaks and stellarators. In particular, capturing the long-term co-evolution of turbulence, flow, and background plasma profiles remains computationally challenging. Direct numerical simulation of these multiscale, highly nonlinear processes is often demanding and impractical for real-time control or design optimization. To address this bottleneck, we investigate transformer-based neural operator partial differential equation surrogates for emulating the dynamics of drift-wave turbulence bifurcation mediated by zonal flows, using the modified Hasegawa–Wakatani (MHW) model as a prototypical system. We find that the finetuned neural operator model has excellent performance in capturing the multi-spatiotemporal-scales of MHW turbulence bifurcation and is robust to testing on rare and out-of-distribution dynamics. Specifically, we demonstrate that a single unified model accurately predicts both quasi-steady-state turbulence and a wide range of dynamical transition processes, such as nonlinear saturation, spontaneous suppression of turbulence, and the emergence of macroscopic zonal flows, over time horizons vastly exceeding the local turbulence correlation time. This computationally efficient approach establishes a strong foundation for fast, AI-based modeling of complex, multiscale phenomena in magnetized fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Watching the Watchers with Verified Formal-Assurance Tools (Abbreviated Final Report)

The “Watching the Watchers” project studied the problem of establishing assurance cases for tools that are used to assure other things. Specifically, we were interested in understanding the tools and techniques one could apply to software to build an assurance case to evaluate their applicability, difficulty, level of assurance provided, and scalability. To do so we chose a set of use cases of relevance to LLNL and our various DOE and non-DOE partners and developed demonstrators to perform this evaluation. Our key focal point was around additive manufacturing problems and assurance gaps that we identified in the additive manufacturing workflow from start to completion. We also explored other areas related to AI, data analysis, and concurrent programming. Follow-on research is planned to take our prototypes from this project and adapt and mature them to fit LLNL mission applications.

97 MATHEMATICS AND COMPUTING↗

High-Resolution, Lightweight, and Low-cost X-Ray Optics for the Lynx Observatory

We describe an approach to build an x-ray mirror assembly that can meet Lynx’s requirements of high-angular resolution, large effective area, light weight, short production schedule, and low-production cost. Adopting a modular hierarchy, the assembly is composed of 37,492 mirror segments, each of which measures ∼100 mm × 100 mm × 0.5 mm. These segments are integrated into 611 modules, which are individually tested and qualified to meet both science performance and spaceflight environment requirements before they in turn are integrated into 12 metashells. The 12 metashells are then integrated to form the mirror assembly. This approach combines the latest precision polishing technology and the monocrystalline silicon material to fabricate the thin and lightweight mirror segments. Because of the use of commercially available equipment and material and because of its highly modular and hierarchical building-up process, this approach is highly amenable to automation and mass production to maximize production throughput and to minimize production schedule and cost. As of fall 2018, the basic elements of this approach, including substrate fabrication, coating, alignment, and bonding, have been validated by the successful building and testing of single-pair mirror modules. In the next few years, the many steps of the approach will be refined and perfected by repeatedly building and testing mirror modules containing progressively more mirror segments to fully meet science performance, spaceflight environments, as well as programmatic requirements of the Lynx mission and other proposed missions, such as AXIS.

Zhang, William W.↗

Machine Learning Eliminates Reanalysis Warm Bias and Reveals Weaker Winter Surface Cooling Over Arctic Sea Ice

The surface energy budget governs Arctic sea-ice growth/melt, yet observations are sparse, and reanalysis data sets suffer from systematic biases. Here, we train a neural network with observational data to bias-correct hourly ERA5 fluxes over Arctic ice-covered regions (≥70°N; sea-ice concentration >80%) for 1994–2024. Training data cover two full seasonal cycles and different sea-ice regimes. The neural network reduces RMSE for net shortwave radiation by ∼40%, downward longwave radiation by ∼16% and the total surface energy budget by ∼55%, eliminating the wintertime warm bias of ∼4 K in ERA5. Wintertime surface cooling is reduced by ∼50%, yielding thermodynamic ice-growth estimates of ∼80–120 cm, consistent with SMOS–CryoSat satellite thickness increases and in contrast to the 150–200 cm growth implied by ERA5. Our bias-corrected data capture the observed clear/cloudy states of the winter boundary layer and can be used to study Arctic climatology, evaluate climate models and drive sea-ice-ocean models.

Hossain, Akil [Alfred Wegener Institute for Polar ↗

Emerging applications: Neuromorphic computing and reservoir computing

The emergence of doped hafnium oxide (HfO 2 )-based ferroelectric films has enabled highly scalable and silicon-compatible ferroelectric devices, opening new frontiers in neuromorphic and reservoir computing. Among these, ferroelectric field-effect transistors (FeFETs) are particularly promising due to their analog memory characteristics and unique polarization dynamics. These properties make FeFETs ideal candidates for artificial synapses in neuromorphic architectures, supporting deep neural networks and spiking neural networks based on leaky-integrate-and-fire (LIF) mechanisms. Beyond neuromorphic computing, FeFETs also play a crucial role in physical reservoir computing, leveraging their intrinsic nonlinear and history-dependent behavior for efficient real-time learning. This approach offers significant advantages for time-series processing and edge artificial intelligence (AI) applications, addressing the growing need for energy-efficient computing. As a result, this article explores the principles, key demonstrations, and future potential of FeFET-based neuromorphic and reservoir computing, highlighting their impact on next-generation AI hardware.

36 MATERIALS SCIENCE↗

Weakly supervised anomaly detection for resonant new physics in the dijet final state using proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

An anomaly detection search for narrow-width resonances beyond the Standard Model that decay into a pair of jets is presented. The search is based on 139 fb −1 of proton-proton collisions at $\sqrt{s}$ = 13 TeV recorded during 2015–2018 with the ATLAS detector at the Large Hadron Collider. The analysis is optimized without a particular signal model and aims to be sensitive to a broad range of new physics. It uses two different machine learning strategies to estimate the background in different signal regions. In each region, a weakly supervised classifier is trained to distinguish this background model from data. The analysis focuses on events with high transverse momentum jets reconstructed as large-radius jets. The mass and substructure of these jets are used as inputs to the classifiers. After a classifier-based selection, the distribution of the invariant mass of the two jets is used to search for potential local excesses. The model-independent results of both the anomaly detection methods show no signs of significant local excesses. In addition to model-independent results, a representative set of signal models is injected into the data, and the sensitivity of the methods to these scenarios is reported.

Aad, G. [Aix-Marseille Université] (ORCID:00000002↗

Search for new physics in final states with semivisible jets or anomalous signatures using the ATLAS detector

A search is presented for hadronic signatures of beyond the Standard Model (BSM) physics, with an emphasis on signatures of a strongly coupled hidden dark sector accessed via resonant production of a 𝑍′ mediator. The ATLAS experiment dataset collected at the Large Hadron Collider from 2015 to 2018 is used, consisting of proton-proton collisions at $\sqrt{𝑠}$ = 13 TeV and corresponding to an integrated luminosity of 140 fb −1 . The 𝑍′ mediator is considered to decay to two dark quarks, which each hadronize and decay to showers containing both dark and Standard Model particles, producing a topology of interacting and noninteracting particles within a jet known as “semivisible.” Machine learning methods are used to select these dark showers and reject the dominant background of mismeasured multijet events, including an anomaly detection approach to preserve broad sensitivity to a variety of BSM topologies. A resonance search is performed by fitting the transverse mass spectrum based on a functional form background estimation. No significant excess over the expected background is observed. Results are presented as limits on the production cross section of semivisible jet signals, parametrized by the fraction of invisible particles in the decay and the 𝑍′ mass, and by quantifying the significance of any generic Gaussian-shaped mass peak in the anomaly region.

particle dark matter↗

Search for cascade decays of charged sleptons and sneutrinos in final states with three leptons and missing transverse momentum in 𝑝⁢𝑝 collisions at $\sqrt{𝑠} = 13$ TeV with the ATLAS detector

A search for cascade decays of charged sleptons and sneutrinos using final states characterized by three leptons (electrons or muons) and missing transverse momentum is presented. The analysis is based on a dataset with 140 fb −1 of proton-proton (pp) collisions at a center-of-mass energy of $\sqrt{𝑠} = 13$ TeV recorded by the ATLAS detector at the Large Hadron Collider. This paper focuses on a supersymmetric scenario that is motivated by the muon anomalous magnetic moment observation, dark-mattter relic density abundance, and electroweak naturalness. A mass spectrum involving light Higgsinos and heavier sleptons with a bino at intermediate mass is targeted. No significant deviation from the Standard Model expectation is observed. This search enables us to place stringent constraints on this model, excluding at the 95% confidence level charged slepton and sneutrino masses up to 450 GeV when assuming a lightest neutralino mass of 100 GeV and mass-degenerate selectrons, smuons and sneutrinos.

extensions of Higgs sector↗

Evidence for Longitudinally Polarized 𝑊 Bosons in the Electroweak Production of Same-Sign 𝑊 Boson Pairs in Association with Two Jets in 𝑝⁢𝑝 Collisions at $\sqrt{𝑠}$ = 13 TeV with the ATLAS Detector

This Letter reports the first evidence of electroweak production of same-sign 𝑊 boson pairs where at least one of the 𝑊 bosons is longitudinally polarized and the most stringent constraint to date for the production of two longitudinally polarized same-sign 𝑊 bosons. The dataset used corresponds to an integrated luminosity of 140 fb −1 of proton-proton collisions at a center-of-mass energy of 13 TeV, collected with the ATLAS detector during run 2 of the Large Hadron Collider. The study is performed in final states including two same-sign leptons (electrons or muons), missing transverse momentum, and at least two jets with a large invariant mass and a large rapidity difference. Two independent fits are performed targeting the production of same-sign 𝑊 bosons with at least one, or two longitudinally polarized 𝑊 bosons. The observed (expected) significance of the production with at least one longitudinally polarized 𝑊 boson is 3.3 (4.0) standard deviations. An observed (expected) 95% confidence level upper limit of 0.45 (0.70) fb is reported on the fiducial production cross section of two longitudinally polarized same-sign 𝑊 bosons.

W & Z bosons↗

Search for events with one displaced vertex from long-lived neutral particles decaying into hadronic jets in the ATLAS muon spectrometer in 𝑝⁢𝑝 collisions at $\sqrt{𝑠}$ = 13 TeV

A search for events with one displaced vertex from long-lived particles using data collected by the ATLAS detector at the Large Hadron Collider is presented, using 140 fb −1 of proton-proton collision data at $\sqrt{𝑠}$ =13 TeV recorded in 2015–2018. The search employs techniques for reconstructing vertices of long-lived particles decaying into hadronic jets in the muon spectrometer displaced between 3 m and 14 m from the primary interaction vertex. The observed number of events is consistent with the expected background and limits for several benchmark signals are determined. A scalar-portal model and a Higgs-boson-portal baryogenesis model are considered. A dedicated analysis channel is employed to target Z-boson associated long-lived particle production, including an axionlike particle and a dark photon model. For the Higgs boson model, branching fractions above 1% are excluded at 95% confidence level for long-lived particle proper decay lengths ranging from 5 cm to 40 m. For the photophobic axionlike particle model considered, this search produces the strongest limits to date for proper decay lengths greater than 𝒪⁡(10) cm.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Evidence for the Dimuon Decay of the Higgs Boson in 𝑝⁢𝑝 Collisions with the ATLAS Detector

A search for the dimuon decay of the Higgs boson is presented based on 𝑝⁢𝑝 collision data recorded by ATLAS during Run 3 of the Large Hadron Collider, corresponding to an integrated luminosity of 165 fb −1 at $\sqrt{s}$ = 13.6 TeV. To enhance the sensitivity, the results are combined with those from Run 2. An excess of events over the background is observed with a significance of 3.4⁢𝜎 (2.5⁢𝜎 expected). The best-fit signal strength is 𝜇 = 1.4 ± 0.4. This result provides evidence for the 𝐻 → 𝜇⁢𝜇 decay with ATLAS data and offers a direct probe of the Higgs-boson Yukawa coupling to second-generation fermions.

Hadron colliders↗

Evidence for the Collective Nature of Radial Flow in Pb+Pb Collisions with the ATLAS Detector

Anisotropic flow and radial flow are two key probes of the expansion dynamics and properties of the quark-gluon plasma (QGP). While anisotropic flow has been extensively studied, radial flow, which governs the system’s radial expansion, has received less attention. Notably, direct experimental evidence for the global and collective nature of radial flow fluctuations has been lacking. This Letter presents the first measurement of transverse momentum (𝑝 T ) dependence of radial flow fluctuations (𝑣 0 ⁡(𝑝 T )) over 0.5 < 𝑝 T < 10 GeV and demonstrates its collective nature using a two-particle correlation method in Pb+Pb collisions at $\sqrt{𝑠_{NN}}$ = 5.02 TeV. The data reveal three key features supporting the collective nature of radial flow: long-range correlation in pseudorapidity, factorization in 𝑝 T , and centrality-independent shape in 𝑝 T . The comparison with a hydrodynamic model demonstrates the sensitivity of 𝑣 0 ⁡(𝑝 T ) to bulk viscosity, a crucial transport property of the QGP. These findings establish a new, powerful tool for probing collective dynamics and properties of the QGP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Search for triple Higgs boson production in the 6⁢𝑏 final state using 𝑝⁢𝑝 collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the production of three Higgs bosons (𝐻⁡𝐻⁡𝐻) in the $b\bar{b}b\bar{b}b\bar{b}$ final state is presented. The search uses 126 fb −1 of proton-proton collision data at $\sqrt{s}$ =13 TeV collected with the ATLAS detector at the Large Hadron Collider. The analysis targets both nonresonant and resonant production of 𝐻⁡𝐻⁡𝐻. The resonant interpretations primarily consider a cascade decay topology of 𝑋 →𝑆⁢𝐻 → 𝐻⁡𝐻⁡𝐻 with masses of the new scalars 𝑋 and 𝑆 up to 1.5 and 1 TeV, respectively. In addition to scenarios where 𝑆 is off-shell, the nonresonant interpretation includes a search for Standard Model 𝐻⁡𝐻⁡𝐻 production, with limits on the trilinear and quartic Higgs self-coupling set. No evidence for 𝐻⁡𝐻⁡𝐻 production is observed. An upper limit of 59 fb is set, at the 95% confidence level, on the cross section for Standard Model 𝐻⁡𝐻⁡𝐻 production.

Artificial neural networks↗

Observation of $t\bar{t}$ Production in Pb+Pb Collisions at $\sqrt{s_{NN}}$ = 5.02 TeV with the ATLAS Detector

Top-quark pair production is observed in lead–lead (Pb+Pb) collisions at $\sqrt{s_{NN}}$ = 5.02 TeV at the Large Hadron Collider with the ATLAS detector. The data sample was recorded in 2015 and 2018, amounting to an integrated luminosity of 1.9 nb −1 . Events with exactly one electron and one muon and at least two jets are selected. Top-quark pair production is measured with an observed (expected) significance of 5.0 (4.1) standard deviations. The measured top-quark pair production cross section is 𝜎 𝑡⁢$\tilde{i}$ = 3.6⁢$^{+1.0}_{−0.9}$⁢(stat)⁢ $^{+0.8}_{−0.5}$⁢(syst) μ⁢b, with a total relative uncertainty of 31%, and is consistent with theoretical predictions using a range of different nuclear parton distribution functions. The observation of this process consolidates the evidence of the existence of all quark flavors in the preequilibrium stage of the quark-gluon plasma at very high energy densities, similar to the conditions present in the early Universe.

Quark-gluon plasma↗

Search for displaced leptons in $\sqrt{𝑠}$ =13 TeV and 13.6 TeV 𝑝⁢𝑝 collisions with the ATLAS detector

A search for leptons displaced from the primary vertex is performed with the ATLAS detector at the Large Hadron Collider. The search includes the full proton-proton collision dataset collected during Run 2 at $\sqrt{𝑠}$ = 13 TeV and a partial dataset collected during Run 3 in 2022–2023 at $\sqrt{𝑠}$ = 13.6 TeV, corresponding to integrated luminosities of 140 fb −1 and 56.3 fb −1 , respectively. Final states with displaced electrons or muons are considered, and novel triggers introduced in Run 3 are employed that use large impact parameter tracking to reconstruct displaced tracks with low momentum. In addition, photon reconstruction and multivariate techniques are employed to broaden the sensitivity to channels with large background rates or highly displaced electrons, respectively. The results are consistent with the Standard Model background expectations and are used to set model-independent limits on the production of displaced electrons and muons. The analysis is also interpreted in the context of a gauge-mediated supersymmetry breaking model with pair-produced long-lived sleptons and a dark sector model with pair-produced chargino-like states. The results include 95% confidence level exclusions of selectrons with lifetimes from 4 ps to 60 ns and a mass of 150 GeV, and exclusions of selectrons, smuons, and staus with a lifetime of 0.3 ns for masses up to 740, 830, and 440 GeV, respectively. Dark charginos with masses up to 380 GeV are excluded for a mass difference with the neutral state of 40 GeV, and mass differences down to 17 GeV are excluded for dark charginos with a 100 GeV mass.

supersymmetric models↗

Deploying and Tracking Software with NCCS Software Provisioning

The National Center for Computational Sciences (NCCS) at Oak Ridge National Laboratory has a long history of deploying ground-breaking leadership-class supercomputers for the U.S. Department of Energy. The latest in this line of supercomputers is Frontier, the first supercomputer to break the exascale barrier (1018 floating-point operations per second) on the TOP500 list. Frontier serves a wide array of scientific domains, from traditional simulation-based workloads to newer AI and Machine Learning workloads. To best serve the NCCS user community, NCCS uses Spack to deploy a comprehensive software stack of scientific software packages, providing straightforward access to these packages through Lmod Environment Modules. Maintaining a large software stack while also including multiple new compiler releases each year is a very time-consuming task. Additionally, it is not straightforward to provide a software stack alongside existing vendor-provided software such as the HPE/Cray Programming Environment (CPE), and existing CPE, Spack, and Lmod integration does not allow for multiple versions of GPU libraries such as AMD’s ROCm to be used. To address these challenges and shortcomings, NCCS has developed the NCCS Software Provisioning tool (NSP)1, a tool for deploying and monitoring software stacks on HPC systems. NSP allows NCCS to quickly and effectively provision software stacks from the ground up using template-driven recipes and configuration files. NSP is successfully deployed on Frontier and several other NCCS clusters, enabling the NCCS software team to quickly deploy software stacks for newly-released compilers, expand current software offerings, better support GPU-based software, and monitor Lmod module usage to identify unused software packages that can be removed from the software stack. In this work, we discuss the shortcomings of the previous CPE, Spack, and Lmod usage at NCCS, provide further details on the implementation and structure of NSP, then discuss the benefits that NSP provides.

Rentschler, Asa [ORNL] (ORCID:0009000597694743)↗

A deep learning and finite element approach for exploration of inverse structure–property designs of lightweight hybrid composites

Hybrid composites have important applications, such as high-performance and lightweight materials in aerospace and automotive industries. Hybrid composites utilize the synergy of diverse fillers to achieve desired material properties, but usually have more complicated microstructures. While topology optimization can optimize a particular property, designing hybrid composites for customized mechanical performances, e.g. full-range stress–strain curve, remains challenging. Here, a computational framework that integrated finite element analysis (FEA) and artificial intelligence (AI) methods of Conditional Generative Adversarial Networks (cGAN) deep learning and transfer learning was developed to establish inverse structure–property relationships and design tailor-made hybrid composites. Based on FEA-generated datasets of hybrid fiber-particle–matrix microstructures and their corresponding full-range stress–strain curves, a cGAN architecture was trained to generate tailored microstructures and establish structure–property relationships. Similarity in microstructural features and well-matched stress–strain curves based on the AI-generated composites were achieved. In conclusion, transfer learning was used to expand the pre-trained model for designing different materials systems.

Hybrid composites↗

High throughput, accurate gene annotation through AI and HPC-enabled structural analysis

With the advances in next generation sequencing technologies, the number of sequenced genomes is growing exponentially, resulting in a technology bottleneck for the translation of sequence information into usable hypotheses about the function of each gene. We have proposed leveraging our leadership high-performance computing (HPC) resources to help break this annotation bottleneck. Here we design an HPC-based framework to infer gene function from gene sequence by incorporating information about protein structure and interactions predicted by deep learning approaches. Accurate functional prediction and gene annotation using computational methods will facilitate breakthroughs in the genomic sciences essential to understanding and harnessing life processes in bacteria, fungi and plants. The development and applications of the state-of-the-art deep neural networks to protein structural modeling, interaction prediction, sequence comparison, and quality assessment of protein structural models will be made possible by leadership computational resources. These HPC-enabled bioinformatics and molecular modeling tools will provide powerful insights into molecular functions of genes.

59 BASIC BIOLOGICAL SCIENCES↗