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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bridging Hydrological Ensemble Simulation and Learning Using Deep Neural Operators

Ensemble-based simulation and learning (ESnL) has long been used in hydrology for parameter inference, but computational demands of process-based ESnL can be quite high. To address this issue, we propose a deep neural operator learning approach. Neural operators are generic machine learning algorithms that can learn functional mappings between infinite-dimensional spaces, providing a highly flexible tool for scientific machine learning. Our approach is built upon DeepONet, a specific deep neural operator, and is designed to address several common problems in hydrology, namely, model parameter estimation, prediction at ungaged locations, and uncertainty quantification. Here we demonstrate the effectiveness of our DeepONet-based workflow using an existing large model ensemble created for an eastern U.S. watershed that is instrumented with 10 streamflow gages. Results suggest DeepONet achieves high efficiency in learning an ML surrogate model from the model ensemble, with the modified Kling-Gupta Efficiency exceeding 0.9 on holdout test sets. Parameter inference, carried out using the trained DeepONet surrogate model and genetic algorithm, also yields robust results. Additionally, we formulate and train a separate DeepONet model for physics-informed, seq-to-seq streamflow forecasting, which further reduces biases in the pre-trained DeepONet surrogate model. While this study focuses primarily on a single watershed, our approach is general and may be extended to enable learning from model ensembles across multiple basins or models. Thus, this research represents a significant contribution to the application of hybrid machine learning in hydrology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

ALD-Derived WO 3– x Leads to Nearly Wake-Up-Free Ferroelectric Hf 0.5 Zr 0.5 O 2 at Elevated Temperatures

Breaking the memory wall in advanced computing architectures will require complex 3D integration of emerging memory materials such as ferroelectrics─either within the back-end-of-line (BEOL) of CMOS front-end processes or through advanced 3D packaging technologies. Achieving this integration demands that memory materials exhibit high thermal resilience, with the capability to operate reliably at elevated temperatures, such as 125°C, due to the substantial heat generated by front-end transistors. However, silicon-compatible HfO 2 -based ferroelectrics tend to exhibit antiferroelectric-like behavior in this temperature range, accompanied by a more pronounced wake-up effect, posing significant challenges to their thermal reliability. Here, we report that by introducing a thin tungsten oxide (WO 3–x ) layer─known as an oxygen reservoir─and carefully tuning its oxygen content, ultrathin Hf 0.5 Zr 0.5 O 2 (5 nm) films can be made robust against the ferroelectric-to-antiferroelectric transition at elevated temperatures. This approach not only minimizes polarization loss in the pristine state but also effectively suppresses the wake-up effect, reducing the required wake-up cycles from 10 5 to only 10 at 125°C, a qualifying temperature for back-end memory integrated with front-end logic, as defined by the JEDEC standard. First-principles density functional theory (DFT) calculations reveal that WO 3 enhances the stability of the ferroelectric orthorhombic phase (o-phase) at elevated temperatures by increasing the tetragonal-to-orthorhombic phase energy gap and promoting favorable phonon mode evolution, thereby supporting o-phase formation under both thermodynamic and kinetic constraints.

36 MATERIALS SCIENCE↗
DOE OSTI2025

AI Driven Optimization of Public Transit

This project explores the application of AI-driven methods to optimize public transit operations for the Chattanooga Area Regional Transportation Authority (CARTA). By leveraging data analytics, machine learning, and predictive modeling, the initiative seeks to enhance system efficiency, improve rider experience, and support sustainability goals. This research, supported by the National Science Foundation and the U.S. Department of Energy, integrates real-time transit data with advanced computational tools to inform decision-making, optimize routes, and balance operational demands. The work exemplifies a forward-looking model for mid-sized cities aiming to modernize mobility systems through intelligent technology integration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Nested Pebble Bed Blanket (NesPeB)

Recent advances in magnetic confinement fusion technology have attracted billions of dollars of investments in startups from venture capitals and corporations, resulting in the development of devices aiming to demonstrate net energy gain in a self-heated burning plasma, such as SPARC (under construction) and others. However, future fusion power plants must operate in regimes that will require technologies far beyond current experience. According to a National Academies of Science, Engineering, and Medicine report, to have nuclear fusion power plants contributing in a timely manner to the planned reduction of atmospheric carbon dioxide, a pilot plant should be built by 2035, and it should demonstrate fusion power production and the performance of the tritium fuel system (requiring a high enough tritium breeding) by 2040. A recognized key technology gap by [26] is the fusion first wall and blanket since no current blanket concept is considered satisfactory or has been built and proven. The first wall and blanket in magnetic fusion reactors form a vital and complex system, as it must satisfy different functions such as power extraction, tritium breeding, plasma containment, radiation shielding, and safety. The list of design requirements is even longer: high enough tritium production for fusion self-sufficiency, low material activation, decay heat and shutdown dose rates, high thermal efficiency, high-capacity factor, high magnets-divertor-vacuum vessel-first wall life, low corrosion, low cost, and intrinsically safe (requiring minimal licensing). Despite fifty-plus years of research, the first wall and blanket concepts proposed suffer from fundamental technical problems and immaturity (TRL=2-3) that jeopardize the timely delivery of a commercial fusion power plant. A fusion first-wall blanket has never been built nor tested, and a "winning", practical functioning design requires enough engineering margins (high enough tritium breeding considering the uncertainty, etc.), manufacturing simplicity, ease of continuous operation, maintenance, and low cost. A new, groundbreaking blanket concept called "Nested Pebble Bed Blanket" (NesPeB) was developed at ORNL under the successful ARPA-E GAMOW FERMI project (patent application allowed by the USPTO). The NesPeB blanket concept addresses current blanket concepts' shortcomings and technical immaturity, paving the way for accelerated delivery of fusion power plants. NesPeB is based on nested pebbles, which are binary-sized lithium-ceramic pebbles enclosed in "Beryllide" perforated and coated spherical shells, which are also binary-sized, stacked on top of each other, forming a "bed" and cooled by Nitrogen gas also "sweeping" the Helium and Tritium generated by the neutron irradiation of Lithium; the vacuum vessel plasma facing material is Molybdenum-96 and -97 with the first wall cooled by Helium while the divertor armor is made of Tungsten. The simulations of the NesPeB blanket using Fusion Reactors Models Integrator (FERMI) are encouraging as they estimate a tritium breeding ratio (TBR) greater than 1.2 using natural Lithium, acceptable pressure drop, and excellent heat transfer properties. Furthermore, the NesPeB blanket is not limited by magneto-hydro-dynamics (MHD) effects, is designed for online refueling, relies on existing tritium extraction technologies, has a simple construction, and limits the corrosion and chemical reactivity problems. NesPeB has the potential to be transformational and disruptive since it can solve all the main, challenging technical problems of fusion device blankets and accelerate a pilot plant delivery for 10 or more years.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Leveraging generative AI for urban digital twins: a scoping review on the autonomous generation of urban data, scenarios, designs, and 3D city models for smart city advancement

The digital transformation of modern cities by integrating advanced information, communication, and computing technologies has marked the epoch of data-driven smart city applications for efficient and sustainable urban management. Despite their effectiveness, these applications often rely on massive amounts of high-dimensional and multi-domain data for monitoring and characterizing different urban sub-systems, presenting challenges in application areas that are limited by data quality and availability, as well as costly efforts for generating urban scenarios and design alternatives. As an emerging research area in deep learning, Generative Artificial Intelligence (GenAI) models have demonstrated their unique values in content generation. This paper aims to explore the innovative integration of GenAI techniques and urban digital twins to address challenges in the planning and management of built environments with focuses on various urban sub-systems, such as transportation, energy, water, and building and infrastructure. The survey starts with the introduction of cutting-edge generative AI models, such as the Generative Adversarial Networks (GAN), Variational Autoencoders (VAEs), Generative Pre-trained Transformer (GPT), followed by a scoping review of the existing urban science applications that leverage the intelligent and autonomous capability of these techniques to facilitate the research, operations, and management of critical urban subsystems, as well as the holistic planning and design of the built environment. Based on the review, we discuss potential opportunities and technical strategies that integrate GenAI models into the next-generation urban digital twins for more intelligent, scalable, and automated smart city development and management.

3D city modeling↗
DOE OSTI2026

Development of Next-Generation Additive Chemistry for Direct Air Capture Sorbents (CRADA Final Report)

Introducing antioxidant additives into amine-based DAC sorbents can extend their lifetime. These sorbents are readily prepared by physically mixing additives with amines, a straightforward approach using commercially available materials. Advancing this strategy requires understanding how additives function under varying conditions, especially humidity. This project aims to reveal how humidity and additive chemistry influence oxidative degradation of PEI-based sorbents, levereging LLNL’s expertise in physics-based computational modeling, and Global Thermostat (GT)’s expertise in materials synthesis, characterization, and degradation kinetics testing, to gain fundamental insights into the chemistries and mechanisms of PEI oxidative degradation, and develop design principles that enhance sorbent durability.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Additively Manufactured Graded Composite Transition Joints for Dissimilar Metal Weldments in Advanced Ultra-Supercritical Power Plant (Final Technical Report)

In this project, we successfully achieved all the goals we proposed: ① Code Development; ② Transition Joint Design; ③ Lab-scale GCTJ Testing Piece Development; ④ Heat Treatment; ⑤ Welding of DMW; ⑥ Mechanical Characterization; ⑦ Corrosion; ⑧ Fabrication of Prototype GCTJ; ⑨In-field Test in SWRI and ⑩Tech-economic Analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Experimental Methods for the Performance Test of Environment-Assisted Cracking (EAC) in Nuclear Industry and Examples through NSUF

Environmentally assisted cracking (EAC) is a critical failure mode in nuclear reactor environments, where materials are exposed to high temperatures, radiation, and corrosive media. Specific EAC studies in nuclear environments include stress corrosion cracking in primary water chemistry, irradiation-assisted stress corrosion cracking (IASCC) under neutron exposure, and hydrogen induced cracking (HIC) in reactor pressure vessels. The experimental methodologies of EAC include slow strain rate testing (SSRT), constant load, and cyclic loading techniques, conducted in autoclaves designed to simulate the reactor’s operational environments. This paper highlights several experimental case studies, especially on IASCC, conducted within the Nuclear Science User Facilities (NSUF).

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Constraints on Covariant Dark-Matter–Nucleon Effective Field Theory Interactions from the First Science Run of the LUX-ZEPLIN Experiment

The LUX-ZEPLIN (LZ) experiment is a dual-phase xenon time project chamber operating in the Sanford Underground Research Facility in South Dakota, USA. We report on the results of a relativistic extension to the nonrelativistic effective field theory (NREFT) from a 5.5 t fiducial mass and 60 live days of exposure. We present constraints on couplings from covariant interactions arising from the coupling of vector, axial currents, and electric dipole moments of the nucleon to the magnetic and electric dipole moments of the weakly interacting massive particle which cannot be described by recasting previous results described by an NREFT. Using a profile-likelihood ratio analysis, in an energy region between 0 keV nr to 270 keV nr , we report 90% confidence level exclusion limits on the coupling strength of five interactions in both the isoscalar and isovector bases. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

PNNL Sequim Campus Radionuclide Air Emissions Report for Calendar Year 2025 : Department of Energy – Office of Science Pacific Northwest National Laboratory

The U.S. Department of Energy Office of Science’s Pacific Northwest Site Office has oversight and stewardship duties associated with the Pacific Northwest National Laboratory Sequim Campus. Facility operations include radiological operations with the potential-to-emit low levels of radioactive materials. This report is prepared to document compliance with the 40 CFR Part 61, National Emission Standards for Hazardous Air Pollutants, Subpart H, “National Emission Standards for Emissions of Radionuclides Other than Radon from Department of Energy Facilities,” and Washington Administrative Code Chapter 246-247, Radiation Protection–Air Emissions. The PNNL Sequim Campus is in compliance with the federal and state 10 mrem/yr standard for 2025 operations.

40 CFR 61 Subpart H↗
DOE OSTI2025

Upgrading Fermilab s Accelerator Control System with ACORN

The Fermilab Accelerator Complex is the largest national user facility in the Office of High Energy Physics (DOE/HEP) program and the only national user facility operating at Fermilab. Fermilab serves as the host to the Long Baseline Neutrino Facility/Deep Underground Neutrino Experiment (LBNF/DUNE), the laboratory’s flagship project for neutrino science that is under construction. LBNF/DUNE will be powered by megawatt beams from an upgraded accelerator, the Proton Improvement Plan II (PIP-II) that will replace the laboratory’s aging linear accelerator with a new one based on superconducting radio-frequency cavities. The Accelerator Controls Operations Research Network (ACORN) Project will support LBNF/DUNE and PIP-II by modernizing the accelerator control system. The project is at the conceptual design phase and looking to achieve Critical Decision 1 (CD-1) later this year. The scope and structure of the project will be presented, along with an overview of how that has changed in the past year. Current design and technology choices will be shared. Specific challenges facing the project will be addressed, along with current thinking on solutions.

Roehrig, Christian [Fermilab]↗
DOE OSTI2024

Metals strengthen with increasing temperature at extreme strain rates

The strength of materials depends on the rate at which they are tested, as defects, for example dislocations, that move in response to applied strains have intrinsic kinetic limitations. As the deformation strain rate increases, more strengthening mechanisms become active and increase the strength. However, the regime in which this transition happens has been difficult to access with traditional micromechanical strength measurements. Here, with microballistic impact testing at strain rates greater than 10 6 s −1 , and without shock conflation, we show that the strength of copper increases by about 30% for a 157 °C increase in temperature, an effect also observed in pure titanium and gold. This effect is counterintuitive, as almost all materials soften when heated under normal conditions. This anomalous thermal strengthening across several pure metals is the result of a change in the controlling deformation mechanism from thermally activated strengthening to ballistic transport of dislocations, which experience drag through phonon interactions. These results point to a pathway to better model and predict materials properties under various extreme strain rate conditions, from high-speed manufacturing operations to hypersonic transport.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Development of advanced vacuum technologies for extending plasma pulse duration on EAST

Advanced vacuum technologies, including pumping, fueling and wall conditioning, have been successfully developed or upgraded to efficiently control the fuel and impurity particles to extend the plasma pulse duration in the experimental advanced superconducting tokamak (EAST). To improve the particle exhaust rate cryopumps with a 60% increase in pumping speed and ∼2 times increase in saturation capacity have been developed, and molecular pumps with a ∼30% increase in pumping speed have been upgraded. In order to monitor the molecular pump status while avoiding bearing faults and overload accidents, a fault detection system has been built which can offer an early warning to avoid more losses within the fusion device. A series of fueling technologies have been developed including gas injection system, supersonic molecular beam injector, pellet injector (PI), massive gas injector and shattered pellet injector, installed at the midplane and divertor positions at different ports to improve fueling uniformity and efficiency. Meanwhile, routine wall conditioning such as electric and hot N 2 baking, ion cyclotron wall conditioning and glow discharge cleaning have been successfully developed to remove the impurity particles from the inner component and materials. The low Z material wall coating and real-time powder injection during plasma discharge are also designed and applied to further improve particle control capability. Finally, by using these advanced vacuum related technologies, good vacuum (<2 × 10 −6 Pa) and wall conditions are realized, and the fuel and impurity particles can be effectively and stably controlled, which promotes the achievement of the record plasma of ∼1056 s pulse duration with the line-averaged electron density of 1.8 × 10 19 m −3 on EAST. They provide a very important reference for vacuum system design and operation for future fusion devices.

EAST↗
DOE OSTI2026

Turbulence-Driven Edge-Localized-Mode-Free High-Confinement Mode with Divertor Detachment in a Metal-Wall Tokamak

We report the first demonstration of a minute-scale, edge-localized-mode-free high-confinement plasma regime compatible with divertor partial detachment and enhanced pedestal performance in a metal-wall tokamak, the Experimental Advanced Superconducting Tokamak. This regime is enabled by a newly identified mechanism: during divertor partial detachment, reduced ionization and enhanced pumping in a closed divertor lead to less cooling of the pedestal by recycling neutrals and seeding impurities, resulting in an increased pedestal temperature gradient, which excites high-frequency broadband turbulence. Gyrokinetic simulations identify the high-frequency broadband turbulence as a temperature-gradient-driven trapped electron mode (𝜂 𝑒 -TEM), which drives outward transport of particles and heat, thereby maintaining the edge-localized-mode-free state. This pedestal regime is particularly promising for the International Thermonuclear Experimental Reactor, where the anticipated lower density gradient, reduced E×B shear, and lower collisionality in the pedestal will further facilitate 𝜂 𝑒 -TEM excitation. The achieved integrated scenario with a detached divertor and turbulence-dominated pedestal thus offers a compelling solution for managing heat loads and metal impurity sources for long-pulse high-performance operation in future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Probabilistic data fusion and physics-informed machine learning: A new paradigm for modeling under uncertainty, and its application to accelerating the discovery of new materials

In this report we summarize the work conducted by PI Perdikaris and his group under this Early Career project DE–SC0019116 during the period of 09/01/2018 – 08/31/2023. The central aim of the work was to introduce a new paradigm for scientific data analysis that can seamlessly synthesize rigorous mathematical modeling with data of variable fidelity (e.g., measurements at multiple scales/resolutions or predictions of variable fidelity models) and multiple modalities (e.g., images, time–series, or scattered measurements). The setting we are interested in involves complex systems that are partially observed and whose dynamical behavior could be hard to model or totally unknown. The inherent uncertainty associated with this setting necessitates a departure from the classical deterministic realm of modeling and scientific computation, and, consequently, our main building blocks can no longer be crisp deterministic numbers and governing laws, but instead we must operate with probabilistic models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Atmospheric Radiation Measurement (ARM) airborne field campaign data products between 2013 and 2018

Airborne measurements are pivotal for providing detailed, spatiotemporally resolved information about atmospheric parameters and aerosol and cloud properties, thereby enhancing our understanding of dynamic atmospheric processes. For 30 years, the US Department of Energy (DOE) Office of Science supported an instrumented Gulfstream 1 (G-1) aircraft for atmospheric field campaigns. Data from the final decade of G-1 operations were archived by the Atmospheric Radiation Measurement (ARM) Data Center and made publicly available at no cost to all registered users. To ensure a consistent data format and to improve the accessibility of the ARM airborne data, an integrated dataset was recently developed covering the final 6 years of G-1 operations (2013 to 2018, https://doi.org/10.5439/1999133; Mei and Gaustad, 2024). The integrated dataset includes data collected from 236 flights (766.4 h), which covered the Arctic, the US Southern Great Plains (SGP), the US West Coast, the eastern North Atlantic (ENA), the Amazon Basin in Brazil, and the Sierras de Córdoba range in Argentina. These comprehensive data streams provide much-needed insight into spatiotemporal variability in the thermodynamic quantities and aerosol and cloud properties for addressing essential science questions in Earth system process studies. This paper describes the DOE ARM merged G-1 datasets, including information on the acquisition, data collection challenges and future potentials, and quality control processes. It further illustrates the usage of this merged dataset to evaluate the Energy Exascale Earth System Model (E3SM) with the Earth System Model Aerosol–Cloud Diagnostics (ESMAC Diags) package.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

High-intensity polarized electron gun featuring distributed Bragg reflector GaAs photocathode

The polarized electron source is a critical component in accelerator facilities such as the electron–ion collider, which requires a polarized electron gun with higher voltage and higher bunch charge than existing sources. One challenge we faced was the surface charge limit of the distributed Bragg reflector GaAs/GaAsP superlattice (DBR-SL-GaAs) photocathode. We suppressed this effect by optimizing the surface doping and heat cleaning procedures. We achieved up to 11.6 nC bunch charge of polarized electron beam. In this report, we discuss the performance of tests of a DBR-SL-GaAs photocathode in the high voltage direct current gun. Possible reasons for the observed peak quantum efficiency wavelength shift are analyzed, and we addressed it by using a wavelength tunable laser. In addition, the impact of the DBR layer and laser on the lifetime is investigated in this paper. The optimal DBR-SL-GaAs operating zone has been proposed, which gave us a long lifetime and high polarization at 30 μA operation. Finally, the success of this polarized gun will be key to the future of the nuclear sciences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

First constraints on WIMP-nucleon effective field theory couplings in an extended energy region from LUX-ZEPLIN

Following the first science results of the LUX-ZEPLIN (LZ) experiment, a dual-phase xenon time projection chamber operating from the Sanford Underground Research Facility in Lead, South Dakota, USA, we report the initial limits on a model-independent nonrelativistic effective field theory describing the complete set of possible interactions of a weakly interacting massive particle (WIMP) with a nucleon. These results utilize the same 5.5 t fiducial mass and 60 live days of exposure collected for the LZ spin-independent and spin-dependent analyses while extending the upper limit of the energy region of interest by a factor of 7.5 to 270 keV. No significant excess in this high energy region is observed. Using a profile-likelihood ratio analysis, we report 90% confidence level exclusion limits on the coupling of each individual nonrelativistic WIMP-nucleon operator for both elastic and inelastic interactions in the isoscalar and isovector bases. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗