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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 19 records

Machine Learning of Plasma Science for Next Generation Microelectronics (Project Final Report)

Low temperature plasmas (LTPs) are an enabling technology behind reducing device dimensions and the continuation of Moore’s Law. It is estimated that 40-45% of all process steps necessary to manufacture semiconductor devices involve LTPs. However, challenges in plasma process design and continuous incorporation of novel materials for new device architectures are pushing the limits of what is possible with current plasma technology. For example, creating higher aspect ratio structures and etching features at the atomic scale both require finer control of the ion energy/velocity at wafer surfaces. To support these types of future innovations in the plasma processing systems that Sandia and the DOE rely upon, we have developed novel diagnostics, simulations, and machine learning capabilities to discover, characterize, and predict plasma phenomena affecting the ion energy/velocity distribution function (IEDF). These efforts also supported research program development and external collaboration with industry and academia through Sandia’s Plasma Research Facility (PRF). This report will focus on the following topics and accomplishments of this three year LDRD project, briefly summarized.

42 ENGINEERING↗

The Institute for Nuclear Science to Inspire the next Generation of a Highly Trained workforce (INSIGHT) at FRIB

The proposed INSIGHT Center at FRIB has two objectives: (1) provide a center to support and coordinate a nationwide traineeship effort; and (2) offer traineeships at FRIB by leveraging its scientific opportunities. This will provide an environment to: (i) recruit and retain undergraduate students in (nuclear) physics and sustain and/or increase their interest, confidence, and enthusiasm in this field; (ii) provide participants with a toolset to become effective independent researchers who pursue further research opportunities as undergraduates; and (iii) encourage participants to pursue graduate studies and potential careers in nuclear science, or related STEM fields.

07 ISOTOPE AND RADIATION SOURCES↗

Optimizing spin qubit coherence through materials codesign

The evolution of defect-based spin qubit systems is currently transitioning from fundamental studies and proof-of-concept demonstrations into applications in the burgeoning field of quantum technology. Within this context, new challenges emerge, in particular, the need to understand and engineer the fundamental materials that form the hardware building blocks critical for the scalability and wide-scale adoption of such technologies. While earlier discussions have often focused on qubits within idealized systems, major limitations on spin coherence and optical properties arise from effects imposed by the nonideality of the surrounding host matrix. Decoherence can stem from a variety of sources, including other qubits, nuclear spins, and parasitic point- and extended defects, which interact with the qubit via magnetic and electric fields, photons, phonons, and strain. In this article, we focus on the relevant sources and mechanisms through which decoherence occurs and provide potential mitigation strategies via the synergistic integration of first-principles simulations and materials synthesis and engineering. We aim to provide a tangible link between material properties and material functions thereby enabling materials-by-design.

ab initio simulations↗

Roadmap on basic research needs for laser technology

Motivated by the profound impact of laser technology on science, arising from an increase in focused light intensity by seven orders of magnitude and flashes so short electron motion is visible, this roadmap outlines the paths forward in laser technology to enable the next generation of science and applications. Despite remarkable progress, the field confronts challenges in developing compact, high-power sources, enhancing scalability and efficiency, and ensuring safety standards. Future research endeavors aim to revolutionize laser power, energy, repetition rate and precision control; to transform mid-infrared sources; to revolutionize approaches to field control and frequency conversion. These require reinvention of materials and optics to enable intense laser science and interdisciplinary collaboration. The roadmap underscores the dynamic nature of laser technology and its potential to address global challenges, propelling progress and fostering sustainable development. Ultimately, advancements in laser technology hold promise to revolutionize myriad applications, heralding a future defined by innovation, efficiency, and sustainability.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Toward Intelligent Multimodal Holography for Real-Time Chemical Imaging of Dynamic Ion Separation

Molecular-level visualization of ion transport and separation dynamics in complex environments is crucial for advancing energy systems, water purification, and critical materials recovery. Achieving this requires imaging platforms that combine structural sensitivity, chemical specificity, and real-time operation. Digital off-axis holography (DOAH) provides high-throughput, label-free quantitative phase imaging but inherently lacks chemical selectivity. Integrating DOAH with complementary spectroscopic channels such as fluorescence or hyperspectral imaging introduces the needed molecular specificity, while also creating challenges in multimodal data fusion, synchronization, and computational throughput. Artificial intelligence offers a powerful route to address these limitations by uniting physics-based reconstruction with data-driven interpretation. In this Perspective, we outline a framework for intelligent multimodal holography and demonstrate its potential using a preliminary AI-driven test case. Raw DOAH holograms of lanthanide solutions subjected to magnetic field gradients were analyzed using multi-agent AI workflows that autonomously selected reconstruction tools, extracted NMF components, and generated scientific claims consistent with true paramagnetic and diamagnetic behavior. This demonstration shows how AI-enabled reasoning can deliver real-time chemical–structural interpretation directly from raw holograms. Together, these advances define a path toward adaptive, intelligent holography platforms capable of supporting in situ chemical separations, dynamic ion transport analysis, and next-generation interfacial science.

Ricchiuti, Giovanna↗

A hybrid neural architecture: Online attosecond x-ray characterization

The emergence of high-repetition-rate x-ray free-electron lasers (XFELs), such as SLAC’s LCLS-II, serves as our canonical example for autonomous controls that necessitate high-throughput diagnostics paired with streaming computational pipelines capable of single-shot analysis with extremely low latency. We present the deterministic characterization with an integrated parallelizable hybrid resolver architecture, a hybrid machine learning framework designed for fast, accurate analysis of XFEL diagnostics using angular streaking-based sinogram images. This architecture integrates convolutional neural networks and bidirectional long short-term memory models to denoise input, identify x-ray sub-spike features, and extract sub-spike relative delays with sub-30 attosecond temporal resolution. Deployed on low-latency hardware, it achieves over 10 kHz throughput with 168.3 μs inference latency, indicating scalability to 14 kHz with field-programmable gate array integration. By transforming regression tasks into classification problems and leveraging optimized error encoding, we achieve high precision with low-latency performance that is critical for real-time streaming event selection and experimental control feedback signals. This represents a key development in real-time control pipelines for next-generation autonomous science, generally, and high repetition-rate x-ray experiments in particular.

Accelerator Physics (physics.acc-ph)↗

Cosmological Hydrodynamics at Exascale: A Trillion-Particle Leap in Capability

Resolving the most fundamental questions in cosmology requires simulations that match the scale, fidelity, and physical complexity demanded by next-generation sky surveys. To achieve the realism needed for this critical scientific partnership, detailed gas dynamics must be treated self-consistently with gravity for end-to-end modeling of structure formation. Exascale computing enables simulations that span survey-scale volumes while incorporating key astrophysical processes that shape complex cosmic structures. We present results from CRK-HACC, a cosmological hydrodynamics code built for extreme scalability. Using separation-of-scale techniques, GPU-resident tree solvers, in situ analysis pipelines, and multi-tiered I/O, CRK-HACCexecuted Frontier-E: a four trillion particle full-sky simulation, over an order of magnitude larger than previous efforts. The run achieved 513.1 PFLOPs peak performance, processing 46.6 billion particles per second and writing more than 100 PB of data in just over one week of runtime. Frontier-E marks a significant advance in predictive modeling for next-generation cosmological science.

Frontiere, Nicholas [Argonne National Laboratory (↗

Exploring Interferometry Diagnostics for Optical Stochastic Cooling at FAST/IOTA

Optical Stochastic Cooling (OSC) is an advanced beam-cooling technique that will precede the traditional stochastic cooling. This method leverages optical radiation and high-precision feedback to cool the particles more efficiently than traditional stochastic methods by more than three orders of magnitude. As such, it is an enabler for the development of next generation discovery science machines at the frontiers of energy and intensity. This paper focuses on the development of the second phase of OSC and improving extreme beam cooling technique in accelerators. Along with the assembly and use of an interferometer to provide diagnostics and optimization to OSC systems. The interferometer can allow for the observation and analysis of fringe patterns from a recreated simpler version in the laser room. By leveraging interferometric techniques, OSC can achieve higher efficiency, verification, stability and performance.

Teriba, Folashade↗

SMR Current Status: Development Needs and Global Perspectives

Defined as nuclear reactors with a power output up to 300 megawatts electrical (MWe) by the International Atomic Energy Agency (IAEA) and targeted for multipurpose applications, small modular reactors (SMRs) have been recognized as a very promising, clean, affordable, and sustainable energy source by many countries. At present, more than 80 SMRs are under design, development, demonstration, deployment, and beyond (4D+) phases worldwide. This study focuses on the current world status of SMRs and focuses on the necessary developments to accelerate the process of adopting SMRs as a major energy source globally. SMRs are not a new concept, but they do represent a new vision for older concepts if the challenges inherent within them are mitigated with strategic and realistic solution approaches. The major challenges for SMRs 4D+ like any new reactors are: (a) qualifying the advanced fuel-to-reactor design; (b) supporting rapid scaled/prototypic experimentations; (c) maintaining local and global codes, standards, and licensing; (d) supply chain issues;(e) effective cradle-to-grave nuclear fuel cycle and fuel material transportation, and (f) mitigating financial and environmental risks. These upfront challenges can be mitigated with a synergistic solution approach among the various stakeholders: industry, academia, research, government, and international entities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

EXPLORING INTERFEROMETRY DIAGNOSTICS FOR OPTICAL STOCHASTIC COOLING AT FAST/IOTA

Optical Stochastic Cooling (OSC) is an advanced beam-cooling technique that will advance the traditional stochastic cooling. This method leverages optical radiation and high-precision feedback to cool the particles more efficiently than traditional stochastic methods by more than three orders of magnitude. As such, it is an enabler for the development of next generation discovery science machines at the frontiers of energy and intensity. This paper focuses on the development of the second phase of OSC and improving extreme beam cooling techniques in accelerators. The goal was to build and characterize a Mach-Zehnder Interferometer (MZI) in the FAST laser lab using known glass plates thickness which will allow future measurements of unknown phase change due to nonlinear amplification processes.

Teriba, Folashade↗

Presentation: SMR Current Status: Development Needs and Global Perspectives

Defined as nuclear reactors with a power output up to 300 megawatts electrical (MWe) by the International Atomic Energy Agency (IAEA) and targeted for multipurpose applications, small modular reactors (SMRs) have been recognized as a very promising, clean, affordable, and sustainable energy source by many countries. At present, more than 80 SMRs are under design, development, demonstration, deployment, and beyond (4D+) phases worldwide. This paper focuses on the current world status of SMRs and focuses on the necessary developments to accelerate the process of adopting SMRs as a major energy source globally. SMRs are not a new concept, but they do represent a new vision for older concepts if the challenges inherent within them are mitigated with strategic and realistic solution approaches. The major challenges for SMRs 4D+ like any new reactors are: (a) qualifying the advanced fuel-to-reactor design; (b) supporting rapid scaled/prototypic experimentations; (c) maintaining local and global codes, standards, and licensing; (d) supply chain issues; (e) effective cradle-to-grave nuclear fuel cycle and fuel material transportation, and (f) mitigating financial and environmental risks. These upfront challenges can be mitigated with a synergistic solution approach among the various stakeholders: industry, academia, research, government, and international entities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SMR Current Status: Development Needs and Global Perspectives

Defined as nuclear reactors with a power output up to 300 megawatts electrical (MWe) by the International Atomic Energy Agency (IAEA) and targeted for multipurpose applications, small modular reactors (SMRs) have been recognized as a very promising, clean, affordable, and sustainable energy source by many countries. At present, more than 80 SMRs are under design, development, demonstration, deployment, and beyond (4D+) phases worldwide. This study focuses on the current world status of SMRs and focuses on the necessary developments to accelerate the process of adopting SMRs as a major energy source globally. SMRs are not a new concept, but they do represent a new vision for older concepts if the challenges inherent within them are mitigated with strategic and realistic solution approaches. The major challenges for SMRs 4D+ like any new reactors are: (a) qualifying the advanced fuel-to-reactor design; (b) supporting rapid scaled/prototypic experimentations; (c) maintaining local and global codes, standards, and licensing; (d) supply chain issues;(e) effective cradle-to-grave nuclear fuel cycle and fuel material transportation, and (f) mitigating financial and environmental risks. These upfront challenges can be mitigated with a synergistic solution approach among the various stakeholders: industry, academia, research, government, and international entities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Two-Step Procedure to Detect Cosmological Gravitational Wave Backgrounds with Next-Generation Terrestrial Gravitational-Wave Detectors

Cosmological gravitational-wave backgrounds are an exciting science target for next-generation ground-based detectors, as they encode invaluable information about the primordial Universe. However, any such background is expected to be obscured by the astrophysical foreground from compact-binary coalescences. We propose a novel framework to detect a cosmological gravitational-wave background in the presence of binary black holes and binary neutron star signals with next-generation ground-based detectors, including Cosmic Explorer and the Einstein Telescope. Our procedure involves first removing all the individually resolved binary black hole signals by notching them out in the time-frequency domain. Then, we perform joint Bayesian inference on the individually resolved binary neutron star signals, the unresolved binary neutron star foreground, and the cosmological background. For a flat cosmological background, we find that we can claim detection at 5⁢𝜎 level when Ω ref ≥ 2.7 × 10 −12 /$\sqrt{𝑇_{obs}/yr}$, where 𝑇 obs is the observation time (in years), which is within a factor of ≲ 2 from the sensitivity reached in the absence of these astrophysical foregrounds.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design—the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.

97 MATHEMATICS AND COMPUTING↗

OpenUniverse2024: a shared, simulated view of the sky for the next generation of cosmological surveys

The OpenUniverse2024 simulation suite is a cross-collaboration effort to produce matched simulated imaging for multiple surveys as they would observe a common simulated sky. Both the simulated data and associated tools used to produce it are intended to uniquely enable a wide range of studies to maximize the science potential of the next generation of cosmological surveys. We have produced simulated imaging for approximately 70 deg 2 of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Wide-Fast-Deep survey and the Nancy Grace Roman Space Telescope High-Latitude Wide-Area Survey, as well as overlapping versions of the ELAIS-S1 Deep-Drilling Field for LSST and the High-Latitude Time-Domain Survey for Roman. OpenUniverse2024 includes (i) an early version of the updated extragalactic model called Diffsky, which substantially improves the realism of optical and infrared photometry of objects, compared to previous versions of these models; (ii) updated transient models that extend through the wavelength range probed by Roman and Rubin; and (iii) improved survey, telescope, and instrument realism based on up-to-date survey plans and known properties of the instruments. It is built on a new and updated suite of simulation tools that improves the ease of consistently simulating multiple observatories viewing the same sky. The approximately 400 TB of synthetic survey imaging and simulated universe catalogs are publicly available, and we preview some scientific uses of the simulations.

large-scale structure of Universe↗

UNLOQ: UNderstanding coherence in Light-matter interfaces for Quantum Science (Final Technical Report)

The general goal of this project is to prepare next-generation quantum systems for novel quantum information science applications. Decades of research on quantum optics have provided revolutionary systems for manipulating atomic and photonic quantum coherence in transformative ways. Our hypothesis is that the next-generation quantum systems will come from nano-molecular quantum optics. Specifically, we are interested in coupling the electronic states of molecules or nanoparticles to the quantized radiation field inside an optical cavity to create a set of new photon-matter hybrid excitations, called polaritons. As opposed to atoms, the vibrational modes of molecules and nanoparticles provide new degrees of freedom to mediate the quantum transduction between electronic and photonic states, offering new ways to tune and ultimately control the quantum coherence of the integrated system. In this project we are interested in designing, fabricating, and characterizing the polaritons that arise from coupling CdSe nanoplatelets (NPLs) to a Fabry-Pérot optical cavity. Specific attention was paid to parameters of the system (cavity mode volume, quality factor, etc.) that would maximize the collective coupling strength. Through a combined theoretical and experimental approach, we were able to make important contributions to understanding NPL exciton-polariton photophysics including how to use cavity loss as a tunable parameter in order to manipulate the populations of the upper and lower polariton states. Finally, using state-of-the-art theoretical methods, we were able to show how the collective coupling of many molecular excitons in a cavity can protect polariton coherence from vibrationally-induced decoherence. In particular, for NPL-cavity polaritonic systems, the quantum coherence can be extended by over an order of magnitude at room temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The next-generation particle x-ray temporal diagnostic for simultaneous time-resolved measurements of nuclear-burn and x-ray emission histories in support of basic-science and inertial confinement fusion experiments at OMEGA

The next-generation Particle X-ray Temporal Diagnostic (PXTD) has been implemented for simultaneous measurements of x-ray, charged particle, and neutron emission histories from a wide range of inertial confinement fusion and high energy density plasma experiments, demonstrating excellent timing accuracy and greatly improved experimental flexibility. The key changes to the previously fielded system are a redesigned set of thin foil filters in front of the scintillators and individual neutral density filters for each region of the detector. The fully implemented PXTD system can provide unique information about the evolution of ion and electron temperatures in multi-ion and kinetic-physics experiments, proton radiography experiments, and DT experiments executed at the OMEGA facility. The system has 35 ps time resolution and negligible relative timing uncertainty between measured emission history signals. The first use of the upgraded four-channel PXTD system during a set of D 3 He-filled silica-glass implosions on OMEGA captured electron temperatures with a minimum uncertainty of 0.5 keV and resolved both the relative timings and widths of neutron, proton, and x-ray peaks within a single recorded image.

Evans, T. E. [Massachusetts Inst. of Technology (M↗