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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

AI-powered exploration of molecular vibrations, phonons, and spectroscopy

The vibrational dynamics of molecules and solids play a critical role in defining material properties, particularly their thermal behaviors. However, theoretical calculations of these dynamics are often computationally intensive, while experimental approaches can be technically complex and resource-demanding. Recent advancements in data-driven artificial intelligence (AI) methodologies have substantially enhanced the efficiency of these studies. This review explores the latest progress in AI-driven methods for investigating atomic vibrations, emphasizing their role in accelerating computations and enabling rapid predictions of lattice dynamics, phonon behaviors, molecular dynamics, and vibrational spectra. Key developments are discussed, including advancements in databases, structural representations, machine-learning interatomic potentials, graph neural networks, and other emerging approaches. Compared to traditional techniques, AI methods exhibit transformative potential, dramatically improving the efficiency and scope of research in materials science. The review concludes by highlighting the promising future of AI-driven innovations in the study of atomic vibrations.

Han, Bowen [Oak Ridge National Laboratory (ORNL), ↗
DOE OSTI2026

Exploring the fusion power plant design space: comparative analysis of positive and negative triangularity tokamaks through optimization

The optimal configuration choice between positive triangularity (PT) and negative triangularity (NT) tokamaks for fusion power plants hinges on navigating different operational constraints rather than achieving specific plasma performance metrics. This study presents a systematic comparison using constrained multi-objective optimization with the integrated FUsion Synthesis Engine (FUSE) framework. Over 200 000 integrated design evaluations were performed exploring the trade-offs between capital cost minimization and operational reliability (maximizing q 95 ) while satisfying engineering constraints including 250 ± 50 MW net electric power, tritium breeding ratio > 1.1, power exhaust limits and an hour flattop time. Both configurations achieve similar cost-performance Pareto fronts through contrasting design philosophies. PT, while demonstrating resilience to pedestal degradation (compensating for up to 40% reduction), are constrained to larger machines (R 0 > 6.5 m) by the narrow operational window between L–H threshold requirements and the research-established power exhaust limit (P sol /R < 15 MW m –1 ). This forces optimization through comparatively reduced magnetic field (∼8 T). NT configurations exploit their freedom from these constraints to access compact, high-field designs (R 0 ~ 5.5 m, B 0 >12 T), creating natural synergy with advancing HTS technology. Sensitivity analyses reveal that PT’s economic viability depends critically on uncertainties in L–H threshold scaling and power handling limits. Notably, a 50% variation in either could eliminate viable designs or enable access to the compact design space. These results suggest configuration selection should be risk-informed: PT offers the lowest-cost path when operational constraints can be confidently predicted, while NT is robust to large variations in constraints and physics uncertainties.

FUSE framework↗
DOE OSTI2025

The Importance of Being Adaptable: An Exploration of the Power and Limitations of Domain Adaptation for Simulation-Based Inference with Galaxy Clusters

The application of deep machine learning methods in astronomy has exploded in the last decade, with new models showing remarkably improved performance on benchmark tasks. Not nearly enough attention is given to understanding the models' robustness, especially when the test data are systematically different from the training data, or "out of domain." Domain shift poses a significant challenge for simulation-based inference, where models are trained on simulated data but applied to real observational data. In this paper, we explore domain shift and test domain adaptation methods for a specific scientific case: simulation-based inference for estimating galaxy cluster masses from X-ray profiles. We build datasets to mimic simulation-based inference: a training set from the Magneticum simulation, a scatter-augmented training set to capture uncertainties in scaling relations, and a test set derived from the IllustrisTNG simulation. We demonstrate that the Test Set is out of domain in subtle ways that would be difficult to detect without careful analysis. We apply three deep learning methods: a standard neural network (NN), a neural network trained on the scatter-augmented input catalogs, and a Deep Reconstruction-Regression Network (DRRN), a semi-supervised deep model engineered to address domain shift. Although the NN improves results by 17% in the Training Data, it performs 40% worse on the out-of-domain Test Set. Surprisingly, the Scatter-Augmented Neural Network (SANN) performs similarly. While the DRRN is successful in mapping the training and Test Data onto the same latent space, it consistently underperforms compared to a straightforward Yx scaling relation. These results serve as a warning that simulation-based inference must be handled with extreme care, as subtle differences between training simulations and observational data can lead to unforeseen biases creeping into the results.

Ntampaka, Michelle [Baltimore, Space Telescope Sci↗
DOE OSTI2024

Power handling in a highly-radiative negative triangularity pilot plant

Abstract This work explores detailed power handling solutions for a class of high-field, highly-radiative negative triangularity (NT) reactors based around the MANTA concept (Rutherford et al 2024 Plasma Phys. Control. Fusion ). The divertor design is kept as simple as possible, opting for a standard divertor with standard leg length. FreeGS is used to create an equilibrium for the boundary region, prioritizing a short outer leg length of only ∼50 cm (∼40% of the minor radius). The UEDGE code package is used for the boundary plasma solution to track plasma temperatures and fluxes to the divertor targets. It is found that for P SOL = 25 MW and n sep = 0.96 × 10 20 m −3 , conditions consistent with initial core transport modeling, little additional power mitigation is necessary. For a fixed impurity fraction of just 0.13% Ne in the plasma, the peak heat flux density at the more heavily loaded outer targets falls to 7.8 MW m −2 , while the electron temperature T e remains just under 5 eV. Scans around the parameter space reveal that even at densities lower than in the primary operating scenario, P SOL can be increased up to 50 MW, so long as a slightly higher fraction of extrinsic radiator is used. With less than 1% neon (Ne) impurity content, the divertor still experiences less than 10 MW m −2 at the outer target. Design of the plasma-facing components includes a close-fitting vacuum vessel with a tungsten inner surface as well as FLiBe-carrying cooling channels fashioned into the VV wall directly behind the divertor targets. For the seeded heat flux profile, Ansys Fluent heat transfer simulations estimate that the outer target temperature remains at just below 1550 ∘ C. Initial scoping of advanced divertor designs shows that for an X-divertor, detachment of the outer target becomes much simpler, and plasma fluxes to the targets drop considerably with only 0.01% Ne content.

Miller, M. A. (ORCID:0000000265406533)↗
DOE OSTI2024

SNNPG: Using Spiking Neural Networks to Detect Attacks in the Power Grid

We explore the potential of Spiking Neural Networks (SNN) to enhance the security of power grid operations by detecting False Data Injection (FDI) attacks. These attacks manipulate PMU readings, leading to erroneous control decisions and grid disruptions. We develop a method to convert Phase Measurement Unit (PMU) data into spike trains, capturing both temporal and spatial dimensions. Using an SNN model, we conduct evaluations with simulated power grid data, showcasing accuracy in detecting FDI attacks. SNN models rapidly identify anomalies in real-time PMU data, safeguarding grid operations by alerting operators to irregular readings and preventing incorrect decisions.

artificial intelligence↗
DOE OSTI2024

Flux-driven simulations of self-generated radial electric fields and transition to improved confinement regime

The evolution of plasma profiles and radial electric fields in the edge of tokamaks during a transition to an improved confinement regime is explored in an unfavorable configuration based on self-consistent, flux-driven simulations of reduced Braginskii models with ion pressure dynamics. The edge plasma response to the heating power is explored by varying the heat source strength. The energy transfer from turbulent to mean flows is induced by the large-amplitude fluctuations as the power input becomes sufficiently strong. It is found that ion pressure fluctuations play an important role in the generation of the Reynolds power. Consequently, the plasma spontaneously forms radial electric fields localized at the edge, which reduces the radial correlation and amplitudes of edge fluctuations. An edge temperature pedestal also forms while the density profiles remain nearly unchanged, featuring an I-mode-like regime.

Physics↗
DOE OSTI2024

Development of New Reactor Core Configuration for Power Uprate - Fuel Reload & Heat Processing Analyses, Core Design, System Safety Assessments, and Fuel Performance Analyses

With the passage of the Infrastructure Investment and Jobs Act in 2021 and the Inflation Reduction Act (IRA) in 2022, the United States stands at a critical juncture for the future of nuclear power. These landmark policies provide significant support for clean energy initiatives, positioning nuclear power as a key component of the nation’s strategy to reduce carbon emissions and achieve energy security. This growing emphasis on nuclear energy is driven by the need for reliable, low-carbon power sources as the country transitions away from fossil fuels. Federal policy, along with increasing state-level support, is encouraging investment in nuclear technology advancements to meet these demands. Building new nuclear power plants (NPPs), however, presents significant challenges due to high costs and long construction timelines. As a result, increasing the power output of existing NPPs through power uprates has emerged as a more feasible and cost-effective strategy. One key area of advancement is the development of accident-tolerant fuel (ATF), such as chromium-coated zirconium alloy cladding, which offers enhanced material performance, enabling power uprates in light water reactors (LWRs). Given the growing demand for nuclear energy fueled by federal policies and state initiatives, it is essential to evaluate the feasibility and benefits of significant power uprates in existing pressurized water reactors (PWRs) using advanced fuel technologies. The introduction of ATF concepts opens new opportunities for safely and economically achieving these power increases. Assessing whether these innovations can support substantial power uprates while maintaining operational safety is crucial to maximizing the potential of the nation’s existing nuclear infrastructure. This project aims to explore how power uprates can be achieved by boosting reactor thermal power output and optimizing reactor core design, while ensuring the safety and economic viability of NPPs. Specifically, it will focus on demonstrating the technical and economic feasibility of power uprates in a PWR using low 5-10% enrichment uranium (LEU+) high burnup (HBU) fuel combined with ATF concepts. In fiscal year 2024 (FY24), the research and development focus on building foundational models and conducting multi-physics performance and safety analyses to support the power uprate. The findings of the study would be shared through LWRS Seasonal Meetings, conferences and workshops with utility companies and researchers. These also serve as a basis for further study of fuel reloading optimization with ATF claddings.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Early Exploration of a Flexible Framework for Efficient Quantum Linear Solvers in Power Systems

The rapid integration of renewable energy resources presents formidable challenges in managing power grids. While advanced computing and machine learning techniques offer some solutions for accelerating grid modeling and simulation, there remain complex problems that classical computers cannot effectively address. Quantum computing, a promising technology, has the potential to fundamentally transform how we manage power systems, especially in scenarios with a higher proportion of renewable energy sources. One critical aspect is solving linear systems of equations, crucial for power system applications like power flow analysis, for which the Harrow-Hassidim-Lloyd (HHL) algorithm is a well-known quantum solution. However, HHL quantum circuits often exhibit excessive depth, making them impractical for current Noisy-Intermediate-Scale-Quantum (NISQ) devices. In this paper, we introduce a versatile framework, powered by NWQSim, that bridges the gap between power system applications and quantum linear solvers available in Qiskit. This framework empowers researchers to efficiently explore power system applications using quantum linear solvers. Through innovative gate fusion strategies, reduced circuit depth, and GPU acceleration, our simulator significantly enhances resource efficiency. Power flow case studies have demonstrated up to a eight-fold speedup compared to Qiskit Aer, all while maintaining comparable levels of accuracy.

quantum computing, Harrow-Hassidim-Lloyd, high-per↗
DOE OSTI2024

Power Supply Options for the Marpi Landfill, Saipan: Addendum to 2023 Feasibility Study

The Marpi Landfill (Marpi or the landfill), located on the northern end of the island of Saipan in the Commonwealth of the Northern Mariana Islands (CNMI), is powered by an on-site diesel generator that only operates when the landfill is open and staffed. The CNMI Office of Planning and Development (OPD) aspires to provide the Marpi Landfill with 24-hour power availability despite its remote location and to increase sustainable energy consumption within the CNMI. Pacific Northwest National Laboratory (PNNL) authored a feasibility study in 2023 that explores alternative power supply options for the landfill. This feasibility study (hereafter referred to as Phase I of this study) culminated in a report named “Power Supply Options for the Marpi Landfill, Saipan.” In Phase I, the project team investigated and prioritized seven different power supply scenarios (Table ES-1) for the landfill according to Solid Waste (SW) Taskforce priorities. The project team found that Scenario 4 (100 kW of solar photovoltaic [PV] generation, a 75 kW/300 kWh battery energy storage system [BESS], and 160 kW of diesel generation) ranked highest. Following the Phase I feasibility study, the SW Taskforce secured additional funding for PNNL to assess additional considerations regarding power supply options for Marpi. The purpose of Phase II of this study is to investigate these additional considerations, as compiled in this addendum. Some of the findings compiled here replace findings from the original report. The project team evaluated additional considerations regarding power supply options for the landfill, including modified operations to account for 24/7 power supply, electrified landfill equipment, new and replacement distribution line costs, and the social cost of carbon.

14 SOLAR ENERGY↗
DOE OSTI2025

The inorganic chemist's guide to actinide radiation chemistry: a review

This review aims to provide an overview of the current state of radiation chemistry with respect to the actinide elements, thorium through californium. Despite the inherent radioactivity of the actinides, only a few studies explore the effects of ionizing radiation on their redox chemistry and surrounding environment. This fundamental knowledge gap, coupled with the current renaissance in actinide-based technologies such as nuclear power, space exploration, and medicine, underscores the importance of research in this interdisciplinary area. This review will focus on the interactions between reactive species formed by radiolysis with actinides and their complexes, offering an inorganic chemist's perspective on research in radiation chemistry. In addition, a thorough discussion of our current understanding of radiation-induced changes in actinide speciation in both aqueous solution and the solid-state will be provided, focusing on changes in oxidation state distribution, complexation, and secondary coordination effects within inorganic materials. Finally, this review will discuss challenges and opportunities for inorganic chemists to explore this unique intersection of fields.

Actinides↗
DOE OSTI2025

An analytically tractable marked power spectrum

The increasing precision of cosmology data in the modern era is calling for methods to allow the extraction of non-Gaussian information using tools beyond two-point statistics. The marked power spectrum has the potential to extract beyond two-point information in a computationally efficient way while using much of the infrastructure already available for the power spectrum. In this work we explore the marked power spectrum from an analytical perspective. In particular, we explore a low-order polynomial for the mark that allows us to better control the theoretical uncertainties and we show that with minimal new degrees of freedom the analytical results match measurements from N-body simulations for both the matter field and biased tracers in redshift space. Finally, we show that even within the limited forms of mark that we consider, there are degeneracies that can be broken by inclusion of the marked auto-spectrum or the cross-spectrum with the unmarked field. I n conclusion, we discuss future theoretical developments that would enable us to apply this approach to survey data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

ASEAN Technical Exchange Workshop for System Operators, Regulators, and Policymakers

This presentation provides an in-depth exploration of power system planning, cross-border electricity trading, and battery energy storage systems (BESS), offering actionable insights for system operators, regulators, and policymakers. The first section delves into power system planning and analysis, focusing on capacity expansion models and resource adequacy studies, including their role in optimizing system efficiency, managing emissions, and addressing system reliability risks. Key considerations, such as integration of transmission into generation planning and the forecasting versus optimization of customer distributed energy resources (DER) technologies, are explored. The session highlights critical trade-offs in spatial granularity and model runtimes, as well as the feasibility of aligning distribution investments with capacity expansion efforts. The second section examines cross-border electricity trading, with an emphasis on resource adequacy concepts such as reliability targets, loss of load expectation (LOLE), and planning reserve margins (PRM). Case studies on reserve market design and coordination across US regions provide insights into improving reserve deliverability and managing interregional power balance and congestion. This section also addresses market-to-market congestion management, including advanced strategies for high-voltage direct current (HVDC) optimization and ancillary service delivery. Finally, the presentation covers the rapid evolution of Battery Energy Storage Systems (BESS), highlighting their operational growth, regulatory frameworks, and use cases in grid flexibility, energy storage, and reliability. The discussion focuses on the benefits of BESS for system stability, resilience, and integration of renewable energy, offering insights into its role as a vital component in the transition toward a more sustainable and flexible grid. Key performance parameters, such as throughput, round-trip efficiency, and state of charge, are also examined.

25 ENERGY STORAGE↗
DOE OSTI2025

An exploration of how the geographic distribution of power sources impacts power system resilience

The purpose of this paper is to qualitatively explore the question of whether as a power system’s sources and energy storage become more distributed, the power system also tends to become more resilient. The paper is divided into two main parts. After presenting introductory material, Part 1 looks at factors that might limit the ability of ‘fully-distributed’ resources to provide the expected resilience, and Part 2 considers factors that might make a more centralized system more resilient.

25 ENERGY STORAGE↗