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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 361 records · Page 20

Mitigation for the demolition of the foundation of building 25-3113/3113a, area 25, Nevada national security site, NYE county, Nevada

The purpose of this letter report is to document the mitigation of adverse effects of a proposed undertaking that would demolish the foundation of Building 25-3113/3113A and the adjoining test pad at Test Cell A in Area 25 of the Nevada National Security Site (NNSS) in compliance with the terms of the 2024 Programmatic Agreement among the U.S. Department of Energy and the Nevada State Historic Preservation Officer and the Advisory Council on Historic Preservation Concerning the Protection of Historic Properties on the Nevada National Security Site, Nye County, Nevada (NNSS PA). The foundation of Building 25-3113/3113A (State Historic Preservation Office [SHPO] Resource # B2443) is a contributing element to the Nuclear Rocket Development Station (NRDS) Historic District (SHPO Resource # D424), which has been determined eligible for listing in the National Register of Historic Places (NRHP) under Criteria A, B, C, and D (Reno et al. 2023). The proposed demolition constitutes an adverse effect. The U.S. Department of Energy (DOE) National Nuclear Security Administration Nevada Field Office (NNSA/NFO) consulted with the SHPO on an adverse effect finding for the undertaking and notified the SHPO of its intent to use the standard mitigation in the NNSS PA on December 11, 2024 (Julian to Reed). The SHPO concurred on December 30, 2024 (Reed to Julian). Therefore, NNSA/NFO has prepared mitigation pursuant to the standard mitigation in the NNSS PA Appendix D.I.A for contributing elements to recorded, NRHP-eligible districts.

#B2443↗

Basic Research Needs for Transformative Manufacturing (Brochure)

Manufacturing is central to the nation’s prosperity and security. Manufacturing currently represents about 12% of the gross domestic product, provides nearly 13 million jobs, and accounts for about 25% of energy use. The nation’s economy relies heavily on wide-ranging manufacturing sectors - all of which share common challenges including data issues, lack of physics and chemistry-based models across scales, and resource constraints in a global environment. Furthermore, there are many hurdles that must be overcome to move basic science innovations to market. Addressing broad-ranging challenges demands a basic-science strategy that underpins applied research activities. This strategy would accelerate innovation and transform manufacturing. A Basic Research Needs workshop for Transformative Manufacturing was held in March 2020. The focus of the workshop was to identify the basic science research priorities that could accelerate innovation to transform manufacturing in the future. This was the first workshop of its kind to examine how basic energy science can drive manufacturing forward and innovate new ways to manufacture goods. Five Priority Research Directions were identified that address these science challenges: (1) innovative synthetic approaches to enable scalable assembly of matter, (2) computational methods and theoretical models to transform how manufacturing processes are controlled, (3) new characterization tools that can handle the necessary complexity, scales, and processing speeds to meet manufacturing needs, (4) new science to address opportunities relevant to sustainable and energy-efficient manufacturing, and (5) foundational approaches to co-design of materials, process, and products.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The Maximal Entanglement Limit in Statistical and High-energy Physics

These lectures advocate the idea that quantum entanglement provides a unifying foundation for both statistical physics and high-energy interactions. I argue that, at sufficiently long times or high energies, most quantum systems approach a Maximal Entanglement Limit (MEL) in which phases of quantum states become unobservable, reduced density matrices acquire a thermal form, and probabilistic descriptions emerge without invoking ergodicity or classical randomness. Within this framework, the emergence of probabilistic parton model, thermalization in the break-up of confining strings and in high-energy collisions, and the universal small-x behavior of structure functions arise as direct consequences of entanglement and geometry of high-dimensional Hilbert space.

36 MATERIALS SCIENCE↗

Advancements in Heat Transfer and Fluid Mechanics (Fundamentals and Applications)

Thermo-fluid science is a foundational discipline for numerous mechanical systems, particularly in energy production and building equipment, where thermal and mechanical energy transfer play critical roles. Advancements in heat transfer and fluid mechanics have significantly enhanced these systems, driving progress in associated market sectors. For instance, evaporator and condenser coils are essential for optimizing vapor compression cycles in building equipment. Heat pumps used for space and water heating constitute a major share of building systems, with microchannel heat exchanger technology at the forefront of these innovations. It is worth mentioning that advancements in heat transfer and fluid mechanics significantly alleviate the challenge of designing energy-efficient building equipment. The development of research techniques has contributed significantly to the advancement of science; for example, in the experimental field, non-intrusive measurement techniques such as Particle Image Velocimetry (PIV) are now capable of resolving flow behavior in a 3D format for different length and time scales.

42 ENGINEERING↗

The Trinity High Explosive Implosion System: The Foundation for Precision Explosive Applications

This article is set during the 1944 and 1945 final push to complete Project Y—the Manhattan Project at Los Alamos—and focuses primarily on overcoming the challenge of creating and demonstrating a successful convergent explosive implosion to turn a subcritical quantity of plutonium into a critical mass. The critical mass would then efficiently yield kilotons of trinitrotoluene (TNT)-equivalent energy in about a microsecond, demonstrating the implosion atomic bomb concept. This work culminated in the Trinity atomic test near Alamogordo on July 16, 1945. This implosion effect demarcated the approach to explosive science and technology the Laboratory has followed ever since, including development of high-explosive synthesis and formulation, small and large test and diagnostic facilities, shock dynamics theory, high-explosive system design engineering, and three-dimensional implosion modeling and simulation using some of the fastest computers in the world. This work also ushered in a period of broader application of precision high explosives in conventional munitions, demolition, mining and oil exploration, and space travel.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Carbon-Based Quantum Information Science with Symmetry Protected Topological States (Final Report, DOE-BES award DE-SC0023105)

This research program established the scientific foundation for the rational, bottom-up design, synthesis, isolation, and investigation of symmetry-protected topological (SPT) electron spin qubits embedded in graphene nanoribbons (GNRs). The work focused on integrating atomically precise low-dimensional carbon nanostructures with emerging quantum logic architectures, providing a pathway toward scalable quantum materials for next-generation computing and sensing technologies. A central component of the program was the elucidation of fundamental relationships between real-space molecular architecture, local spin density distributions, electronic band dispersion, and energy level alignment in atomically precise GNR systems. These correlations define key operational parameters of SPT qubits and were systematically investigated to establish quantitative benchmarks against established molecular and solid-state spin qubit platforms. Attention was given to properties critical for quantum device performance, e.g. decoherence times, spectral sharpness of energy transitions, and tunable exchange interactions between spin states. The research demonstrated that these parameters can be engineered with atomic precision through scalable bottom-up synthetic strategies. Theory-guided design played a central role in identifying candidate structures hosting topologically protected spin states. Experimental validation was performed using both ensemble measurements and single-molecule characterization. In addition to advances in quantum materials synthesis, the program developed and applied spin-sensitive scanning probe microscopy techniques capable of directly probing quantum states and dynamic processes with atomic-scale spatial resolution. These capabilities enabled direct observation and characterization of quantum structures at the single-atom level. While the research activities were primarily hypothesis-driven fundamental investigations, the program adopted a comprehensive materials-by-design framework aimed at translating scientific discoveries into technological concepts compatible with scalable and intelligent manufacturing approaches.

36 MATERIALS SCIENCE↗

Resimulation-based self-supervised learning for pretraining physics foundation models

Self-supervised learning (SSL) is at the core of training modern large machine learning models, providing a scheme for learning powerful representations that can be used in a variety of downstream tasks. However, SSL strategies must be adapted to the type of training data and downstream tasks required. We propose resimulation-based self-supervised representation learning (RS3L), a novel simulation-based SSL strategy that employs a method of resimulation to drive data augmentation for contrastive learning in the physical sciences, particularly, in fields that rely on stochastic simulators. By intervening in the middle of the simulation process and rerunning simulation components downstream of the intervention, we generate multiple realizations of an event, thus producing a set of augmentations covering all physics-driven variations available in the simulator. Using experiments from high-energy physics, we explore how this strategy may enable the development of a foundation model; we show how RS3L pretraining enables powerful performance in downstream tasks such as discrimination of a variety of objects and uncertainty mitigation. In addition to our results, we make the RS3L dataset publicly available for further studies on how to improve SSL strategies.

97 MATHEMATICS AND COMPUTING↗

Observation of Switchable Chiral Magnons in an Altermagnet

Chiral magnons, the quanta of handed spin waves, transport spin angular momentum without energy loss due to Joule heating. Here, the recently discovered altermagnets were proposed to host chiral magnons arising from a nonrelativistic exchange mechanism, similar to that in ferromagnets but without net magnetization, offering a stray-field-free platform for efficient magnon spin-current manipulation. In this Letter, we directly observed chiral magnons in the altermagnetic prototype MnTe using polarized inelastic neutron scattering. Furthermore, the magnon chirality was found to be reversibly switched by magnetic-field control, establishing a robust foundation for functional altermagnetic magnonics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Establishing capabilities for quantum computing and simulations for energy applications

Quantum information science (QIS) is creating potential transformative opportunities to exploit intricate quantum mechanical phenomena in new ways for obtaining and processing information to advance many areas of science and engineering. Since the National Quantum Initiative Act was signed into law in 2018, developing QIS capability and competency is one of the most urgent tasks of DOE to make sure the US win the quantum race. The QIS contains four pillars: quantum computing, quantum simulations, quantum sensing, and quantum networking. To apply QIS in energy related applications, the key is to develop the capability of quantum computing & simulation tools. In this project, we propose to develop the capability of quantum computing and simulations at NETL to target fossil energy related problems. We will install a simulator (e. g. IBM qiskit) on the NETL supercomputer to simulate the environments of quantum computer. Based on the current available quantum algorithms for quantum chemistry, we will develop quantum computing codes to perform simulation which will focus on fossil energy sector challenges, including CO2 capture & conversion, sensing, and fuel conversion. We then will seek opportunities to run our codes on real quantum computers (such as IBM-Q, google Sycamore, etc.). Through this project, the new capability of quantum computing and simulations will be established at NETL. In addition, the NETL workforce in this area will be trained ready to conduct more complicated tasks in line with NETL missions to enhance the nation’s energy foundation.

97 MATHEMATICS AND COMPUTING↗

Unraveling spin entanglement using quantum gates with scanning tunneling microscopy-driven electron spin resonance

Quantum entanglement is a fundamental resource for quantum information processing, and its controlled generation and detection remain key challenges in scalable quantum architectures. Here, we numerically demonstrate the deterministic generation of entangled spin states in a solid-state platform by implementing quantum gates via electron spin resonance combined with scanning tunneling microscopy (ESR-STM). Using two titanium atoms on a MgO/Ag(100) substrate as a model, we construct a two-qubit system whose dynamics are coherently manipulated through tailored microwave pulse sequences. We generate Bell states by implementing a Hadamard gate followed by a controlled-NOT gate, and evaluate its fidelity and concurrence using the quantum-master equation-based code TimeESR. Our results demonstrate that ESR-STM can create entangled states with significant fidelity. This study paves the way for the realization of atom-based quantum circuits and highlights ESR-STM as a powerful tool for probing and engineering entangled states on surfaces.

Switzer, Eric D. [Donostia International Physics C↗

Active Neutron Interrogation as a Method for Verification of the Absence of Special Nuclear Material in Arms Control Dismantlement

The next step in arms control reductions will deal with both strategic and non-strategic weapons, presenting new and hard challenges for verification. One verification approach that might be used in support of these reductions is the concept of deferred verification, which forgoes inspections at sensitive nuclear sites and relies on an inspection regime having access to the open segment of a State's nuclear sector, in "monitored transfer zones." A component of this approach is the anticipated need for an instrument suite capable of detecting well-shielded highly-enriched uranium or plutonium where it isn't supposed to be. This specific need was recently identified by the United Nations Institute for Disarmament Research in an enabling operating concept they call "contain and dispose." At the foundation of this approach is the idea that items declared as "not nuclear" are, by definition, not treaty limited and are thus "fair-game" for inspection and questioning. Active Neutron Interrogation (ANI), using beta-delayed neutron emissions as the signature for special nuclear material (SNM) detection, is a promising method to address this challenge. The method is quick, has high sensitivity and high specificity for detecting shielded SNM, is robust against changing background radiation environments, is robust against the presence of unknown shielding, and avoids the use of gamma-ray spectrometry which may introduce complications due to the potential release of sensitive information. This paper will present recent research activities exploring technical aspects of using ANI as a FAIRGAME verification method and discuss future prospects and research needs

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Explainable tokamak-agnostic forecasting of fusion plasma instability via megahertz turbulent fluctuations

Scientific applications of artificial intelligence (AI) often remain limited by device-specific training and unexplained “black-box” approaches, creating fundamental barriers to cross-system generalization. This challenge is critical for nuclear fusion, where future reactors will have limited operational data for AI training. Here, we demonstrate that our neural network, trained solely on megahertz-scale turbulence measurements from one machine (DIII-D), forecasts Type-I edge localized mode (ELM) onsets in a different tokamak (KSTAR) through zero-shot weight transfer following physics-consistent preprocessing without device-specific retraining. Through an explainable AI framework combining gradient-weighted class activation mapping with physics validation, we reveal that our network can internalize physics relationships governing the ELM instabilities rather than memorizing device-specific patterns. The network perceives spatiotemporal features that correlate consistently with independently calculated instability growth rates, magnetohydrodynamic stability limits, and pedestal structure dynamics. Statistical analyses of dimensionally-reduced saliency features reveal the identical triangular features between the saliency representations, instability growth rates, and prediction probability across tokamaks, providing evidence that our forecasting system can show tokamak-agnostic generalization. This work contributes to a foundation for explainable scientific AI systems, where cross-system developments are essential for transcending traditional domain-specific constraints.

AI↗

Toward Trustworthy Autonomous Science: A Two-Year Community Roadmap

One year ago, the AISLE roadmap argued that autonomous laboratories operated as isolated islands and proposed a grassroots network organized around five critical dimensions. The field has since moved faster than that roadmap anticipated: multi-agent systems have produced experimentally validated hypotheses, self-driving laboratories have grown more interoperable and orchestrated, reasoning-trained and domain foundation models have raised the capability ceiling, and the Genesis Mission has placed autonomous experimentation at the center of U.S. federal science strategy, with industry emerging as a primary actor. Progress has met a sobering counter-current, including a corrected flagship discovery result, benchmarks showing that agents which rival experts on closed-ended questions still complete only a fraction of open-ended research, and fabricated citations surfacing at leading venues. We read this as the defining tension of the field: producing a candidate discovery is no longer the hard part, but verifying it is, and this asymmetry now limits autonomous science more than raw model capability. Accordingly, we update the roadmap around seven dimensions, revisiting the original five and elevating two former cross-cutting concerns, trust, verification, and reproducibility, and safety, security, and governance, to first-class status. We assess the original milestones (M1 through M14) as achieved, partially achieved, reframed, or open, add four new milestones (M15 through M18) for the elevated dimensions, and scope the path forward to a two-year horizon, with the first year concentrating on interfaces, protocol adoption, and the scaffolding of verification, and the second targeting federation, zero-trust coordination, and governance. Throughout, we position the grassroots network as the interoperability fabric that lets national programs, international initiatives, and commercial platforms connect rather than re-silo.

99 GENERAL AND MISCELLANEOUS↗

Can protein expression be ‘solved’?

Recombinant protein expression is central to biotechnology’s application in academic exploration as well as human health, climate applications and the bioeconomy in general. However, not all proteins can be expressed in all organisms, and the field lacks a predictive model of soluble protein overexpression that could replace laborious experimental trial-and-error. Here, we discuss the state of the field and identify the lack of large, high-fidelity datasets as the primary bottleneck to progress. We review possible assays that could be used for data collection to identify a path toward an extensible experimental platform for collecting soluble recombinant protein overexpression data across organisms. We suggest that the resulting dataset should be used to train increasingly generalizable predictive models of protein expression to answer the question: “How can predictive protein expression be solved?”.

59 BASIC BIOLOGICAL SCIENCES↗

Integrated System and Application Continuous Performance Monitoring and Analysis Capability

Scientific applications run on high-performance computing (HPC) systems are critical for many national security missions within Sandia and the NNSA complex. However, these applications often face performance degradation and even failures that are challenging to diagnose. To provide unprecedented insight into these issues, the HPC Development, HPC Systems, Computational Science, and Plasma Theory & Simulation departments at Sandia crafted and completed their FY21 ASC Level 2 milestone entitled "Integrated System and Application Continuous Performance Monitoring and Analysis Capability." The milestone created a novel integrated HPC system and application monitoring and analysis capability by extending Sandia's Kokkos application portability framework, Lightweight Distributed Metric Service (LDMS) monitoring tool, and scalable storage, analysis, and visualization pipeline. The extensions to Kokkos and LDMS enable collection and storage of application data during run time, as it is generated, with negligible overhead. This data is combined with HPC system data within the extended analysis pipeline to present relevant visualizations of derived system and application metrics that can be viewed at run time or post run. This new capability was evaluated using several week-long, 290-node runs of Sandia's ElectroMagnetic Plasma In Realistic Environments ( EMPIRE ) modeling and design tool and resulted in 1TB of application data and 50TB of system data. EMPIRE developers remarked this capability was incredibly helpful for quickly assessing application health and performance alongside system state. In short, this milestone work built the foundation for expansive HPC system and application data collection, storage, analysis, visualization, and feedback framework that will increase total scientific output of Sandia's HPC users.

97 MATHEMATICS AND COMPUTING↗

Integrated System and Application Continuous Performance Monitoring and Analysis Capability (Final)

Scientific applications run on high-performance computing (HPC) systems are critical for many national security missions within Sandia and the NNSA complex. However, these applications often face performance degradation and even failures that are challenging to diagnose. To provide unprecedented insight into these issues, the HPC Development, HPC Systems, Computational Science, and Plasma Theory & Simulation departments at Sandia crafted and completed their FY21 ASC Level 2 milestone entitled "Integrated System and Application Continuous Performance Monitoring and Analysis Capability." The milestone created a novel integrated HPC system and application monitoring and analysis capability by extending Sandia’s Kokkos application portability framework, Lightweight Distributed Metric Service (LDMS) monitoring tool, and scalable storage, analysis, and visualization pipeline. The extensions to Kokkos and LDMS enable collection and storage of application data during run time, as it is generated, with negligible overhead. This data is combined with HPC system data within the extended analysis pipeline to present relevant visualizations of derived system and application metrics that can be viewed at run time or post run. This new capability was evaluated using several week-long, 290-node runs of Sandia’s ElectroMagnetic Plasma In Realistic Environments (EMPIRE) modeling and design tool and resulted in 1TB of application data and 50TB of system data. EMPIRE developers remarked this capability was incredibly helpful for quickly assessing application health and performance alongside system state. In short, this milestone work built the foundation for expansive HPC system and application data collection, storage, analysis, visualization, and feedback framework that will increase total scientific output of Sandia’s HPC users.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Discovering methylated DNA motifs in bacterial nanopore sequencing data with MIJAMP

Abstract Bacterial DNA methylation is involved in diverse cellular functions, including modulation of gene expression, DNA repair, and restriction–modification systems for defense against viruses and other foreign DNA. Restriction systems hinder efforts to engineer organisms to produce fuels and chemicals from waste and renewable feedstocks by degrading DNA during transformation. Methylome analysis allows identification of motifs within a bacterial chromosome that may be targeted by native restriction enzymes. Further expression of the corresponding methyltransferases in Escherichia coli allows plasmid DNA to be protected from restriction in the target organism, thereby drastically enhancing transformation efficiency. Nanopore sequencing can detect methylated bases, but software is needed to transform modified base coordinates into methylated motifs. Here, we develop MIJAMP (MIJAMP Is Just A MethylBED Parser), a software package that was developed to discover methylated motifs from the output of ONT’s Modkit or other data in the methylBED format. MIJAMP employs a human-driven refinement strategy that empirically validates all motifs against genome-wide methylation data, thus eliminating incorrect motifs. MIJAMP also reports methylation data on specific, user-defined motifs. Using MIJAMP, we determined the methylated motifs both in a control strain (wild-type E. coli) and in Synecococcus sp. strain PCC7002, laying the foundation for improved transformation in this organism. MIJAMP is available at https://code.ornl.gov/alexander-public/mijamp/. One Sentence Summary: Here we describe software written to discover DNA methylation motifs from nanopore sequencing data.

59 BASIC BIOLOGICAL SCIENCES↗