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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spotlight: efficient automated global optimization in rietveld analysis of diffraction data

Performing reliable Rietveld analysis on tens or hundreds of powder diffraction datasets from parametric or time-resolved experiments often poses a bottleneck in extracting meaningful results from the data. While automated analysis of data has recently been demonstrated, high temperature annealing studies, during which phase transformations occur and lattice parameters may change due to repartitioning of elements, are prime examples where automation by a simple phase identification from a database of room temperature structures or automation by sequential refinements is likely to fail. To enable reliable, efficient, automated Rietveld analysis, we present a Python package named Spotlight , building on established Rietveld packages such as MAUD, GSAS , or GSAS-II , which extends the refinement of best fit parameters to a global optimization using an ensemble of optimizers leveraging hierarchical parallel execution on high-performance computing clusters. Spotlight further enables the efficient design of refinement plans through the iterative automated machine-learning of a surrogate for the refinement on which the global optimizations are performed until results from the surrogate converge to the response surface data. We demonstrate Spotlight with the analysis of uranium molybdenum and Ti–6Al–4V datasets, as well as in two open-source tutorials analyzing aluminium oxide and lead sulphate.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Reducing the Cost of Energy Differences in Variational Monte Carlo with Spotlight Sampling

Here, we investigate an approximate sampling scheme that can significantly reduce the cost scaling of variational Monte Carlo when it is employed to predict the energy differences associated with local chemical changes. Inspired by side-chaining and embedding methods, this spotlight sampling approach adopts an approximate fragmented Hamiltonian and correlated sampling to reduce cost scaling to the point that it is essentially linear with system size, with the potential to go sublinear if certain conditions are met. In tests on bond stretching energies in alcohols, hydrogen dimer chains, and molecules with various degrees of π-system delocalization, we observe the anticipated linear scaling and an explicit cost crossover with standard variational Monte Carlo.

Bumann, Sonja [University of California, Berkeley,↗
DOE OSTI2024

ACS Spotlight: Bipolar Membranes for Electrochemical Energy Conversion, Chemical Manufacturing, and Separations

Sustainable energy conversion, chemical manufacturing, and separations are central to addressing the world’s energy and environmental challenges. Electrochemical platforms stand as a cornerstone in addressing these challenges because they are low exergy and can be powered on renewable electrons. In electrochemical systems, bipolar membranes (BPMs) are emerging as a unique class of ion exchange membranes poised to revolutionize various electrochemical processes via pH control of anode and cathode chambers and in situ pH adjustment. In this Spotlight Review, we provide a comprehensive review of electrochemical platforms utilizing BPMs for energy conversion (water electrolyzers for hydrogen production, fuel cells, and flow batteries), chemical manufacturing (electrolyzers that convert carbon dioxide into value-added chemicals and nitrate into ammonia), and separations. The motivation for using BPMs, as well as their performance and durability, in electrochemical platforms are disseminated. We also discuss current challenges that impede BPM electrochemical systems from competing with state-of-the-art electrochemical systems using monopolar ion-exchange membranes (e.g., anion/hydroxide exchange membranes and cation/proton exchange membranes). Here, the review also covers molecular modeling and continuum modeling efforts to understand the basic mechanisms that govern BPM performance.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

NAWI Research Spotlight: Technoeconomic Assessment of Brine Valorization from Brackish Groundwater

This NAWI Research Spotlight Webinar was presented to the NAWI Alliance on June 27, 2024. The presentation describes project progress to date on a technoeconomic assessment of brine valorization from brackish groundwater. Desalination at inland brackish groundwater treatment plants is currently limited by high costs of concentrate management and disposal. With current methods, 5-25% of the feed is disposed of as concentrate, with 98% of disposal using conventional methods (i.e. no byproduct recovery). This project aims to assess the technical and economic feasibility of industrial ecosystems to desalinate brackish groundwater and supply existing and potential markets for clean concentrate or other bulk constituents from the brine.

Fritz, Alison↗
DOE OSTI2021

Employee Spotlight: Christopher Graham

Christopher Graham of Special Security IT and Cyber Operations (SSO-3) makes medieval armor using a combination of old-school techniques and tools with modern accouterments, such as a blacksmith’s gas-powered forge and a power hammer.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Employee Spotlight: Riz Ali

Rizwan “Riz” Ali is the Director of the National Security Research Center. Riz is an avid photographer, one who rarely takes time to compose a photograph, instead relying on instinct and the right moment to capture an often-stunning scene.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Employee Spotlight: Carlos Archuleta -- Bring on the baritone

A crowded theater grows silent as two performers engage in a moment filled with tension. Carlos Archuleta of Nuclear Materials Science (MST-16) portrays Tenorio in Hector Armienta’s $\textit{Bless Me, Ultima}$, an opera based upon the novel by Rudolfo Anaya. Tapping into his acting acumen, Carlos channels the malicious personality of a saloon-keeper and likely warlock named Tenorio. Tenorio is an embodiment of evil, and throughout the opera he serves as the antagonist against Ultima, the story’s main character. When Carlos begins to sing, his thundering voice reverberates across the crowd, delivering the menace of such a malevolent personality. A talented and versatile baritone, as a youngster Carlos had a strong interest in music, but in a genre decidedly different than opera.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Solid Electrolytes in the Spotlight

This virtual issue is targeted to students and researchers, and highlights 32 research articles published over the past 5 years (from July 2016 to July 2021) in Chemistry of Materials (CM). Here, the compilation of papers summarizes the latest advances in the field of solid-state electrolytes for lithium (Li)-, sodium (Na)-, and multivalent-ion (not among the 32 articles discussed) all-solid-state batteries (ASSBs), with a focus on inorganic materials and excluding hybrid systems, e.g., polymer/ceramic composites or systems including liquid media. A total of 125 articles reporting exciting experimental and/or theoretical findings on solid electrolytes were considered for this issue. During 2017–2019, there were about 25–30 papers published per year on this topic, but 2020 and 2021 saw a significant increase, with 26 publications in the first half of 2021 alone. Submissions came from many countries around the world, as shown in Figure 1. While most papers were led by research groups located in the United States, Germany and Japan follow closely, and Austria, the United Kingdom, Canada, and China are also well represented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Topology and geometry under the nonlinear electromagnetic spotlight

For many materials, a precise knowledge of their dispersion spectra is insufficient to predict their ordered phases and physical responses. Instead, these materials are classified by the geometrical and topological properties of their wavefunctions. A key challenge is to identify and implement experiments that probe or control these quantum properties. In this Review, we describe recent progress in this direction, focusing on nonlinear electromagnetic responses that arise directly from quantum geometry and topology. Furthermore, we give an overview of the field by discussing theoretical ideas, experiments and the materials that drive them. We conclude by discussing how these techniques can be combined with device architectures to uncover, probe and ultimately control quantum phases with emergent topological and correlated properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Random Walks With Tweedie: A Unified View of Score-Based Diffusion Models [In the Spotlight]

We present a concise derivation for several influential score-based diffusion models that relies on only a few textbook results. Diffusion models have recently emerged as powerful tools for generating realistic, synthetic signals—particularly natural images—and often play a role in state-of-the-art algorithms for inverse problems in image processing. While these algorithms are often surprisingly simple, the theory behind them is not, and multiple complex theoretical justifications exist in the literature. Here, in this study, we provide a simple and largely self-contained theoretical justification for score-based diffusion models that is targeted towards the signal processing community. This approach leads to generic algorithmic templates for training and generating samples with diffusion models. We show that several influential diffusion models correspond to particular choices within these templates and demonstrate that alternative, more straightforward algorithmic choices can provide comparable results. This approach has the added benefit of enabling conditional sampling without any likelihood approximation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Reply to “Comment on ‘The Reduced Detection Rate of Signals That Are Hidden by Earthquakes: Case Studies with Spotlight Detectors That Operate at Seismic Arrays,’ by Joshua D. Carmichael, Brent G. Delbridge, and Richard Alfaro-Diaz” by Paul G. Richards

We reply to a comment that Paul G. Richards (Richards, 2026) directed to an article by Carmichael et al. (2025). Richards expressed concern over two issues. The first issue relates to the size of the explosions discussed in the article. The second relates to the probability that earthquakes and explosions sourced near the same location coincide in time, by chance. We do not address the first issue because the original article does not assign significance to the size of the explosions from the point of view of an experimental party. We do respond to Richards’ comment on the second issue and claim that it can be explained through a clarification about conditional versus joint probabilities. Our present discussion, therefore, describes the difference between the conditional probability that a correlator fails, given that an explosion and earthquake coincidently occur in the same place, and the joint probability that a correlator fails while an earthquake and explosion also coincidentally occur in the same place. This latter, joint probability appears to be rare. We clarify that our original article did not treat the joint probability, only the conditional probability.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

State Spotlight on Resilience: The Michigan Public Service Commission and Data Informed Accountability

Resilience activities are an emerging area within regulatory utility policy. As resilience frameworks develop, many Public Utility Commissions (PUCs) are looking to initiate resilience activities and have identified enhancing grid reliability as a practical starting point. Reliability describes the grid’s ability to deliver electricity steadily and without interruptions under normal or “blue sky” conditions. Reliability is measured using industry standard metrics such as outage frequency (SAIFI) and outage duration (SAIDI). Resilience is broader, reflecting the grid’s ability to both withstand and recover from disruptions, particularly those caused by extreme events such as severe storms. A reliable grid minimizes routine disruptions; a resilient grid ensures the system can recover quickly when disruptions occur, preventing them from escalating into widespread or prolonged crises.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

State Spotlight on Resilience: The Washington Utilities and Transportation Commission’s Wildfire Mitigation Plans

Wildfires present a significant risk to critical infrastructure, endangering energy systems by damaging transmission lines and imposing a variety of costs on utilities and their customers. Wildfires have increased nationally in both extent and intensity as vegetation conditions become drier and wind patterns become more turbulent. Aging infrastructure may also cause transmission lines to ignite vegetation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

2023 JISEA Annual Meeting: JISEA Catalyzer Spotlight - Energy and Atmospheric Systems Catalyzer

The Energy and Atmospheric Systems Catalyzer has been running for 1.5 years, with many successes to report. This presentation reviews the goals and scope of the dual catalyzer themes of climate systems and air quality, summarizes new and ongoing projects, and looks into the future of how catalyzer-enabled capabilities can synergize across NREL and partners. Technical outcomes of catalyzer-supported analysis include (1) quantification of air quality, health, and equity (environmental justice) benefits of H2 substitution for fossil process heat in three industries (steelmaking, petroleum refining, and cement making) and (2) a roadmap for understanding renewable energy feedbacks into climate.

air quality↗