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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Environmental Controls on Water Vapor Deuterium Excess in the Coastal Boundary Layer: An Information Theory Perspective

We use information theory to quantify the environmental controls on water vapor deuterium excess (D-excess) in coastal Southern California from June 2023 through February 2024. Using Shannon entropy, mutual information (MI), and joint mutual information, metrics that capture both linear and nonlinear relationships, we identify the most informative variables and variable combinations governing D-excess across contrasting marine and continental regimes. Relative humidity with respect to sea surface temperature (RHS) is consistently the strongest individual predictor, explaining up to 27% of D-excess variability during marine conditions but only 10% in continental air masses. The Relative humidity(RHS) + sea surface temperature (SST) combination demonstrates synergistic effects, where their joint influence (explaining up to 36% of D-excess variability) exceeds what either variable achieves individually, confirming their coupled influence on deuterium excess. Wind direction complements RHS most effectively during continental conditions. The best three-variable combination (RHS + SST + Planetary Boundary Layer height) explains 38% of D-excess variability in marine air, while no combination exceeds 20% explanatory power during continental periods. Information theory shows that heteroscedasticity in D-excess relationships indicates regime shifts in controlling processes and quantifies fundamental constraints on predictor variables: some environmental factors like surface pressure or water vapor flux contain insufficient information content to explain D-excess variability regardless of their physical relevance. These results highlight the different predictability limits between marine and continental regimes, challenging the adequacy of linear models and providing a rigorous framework for quantifying the information content of isotope-climate relationships with implications for both modern and paleoclimate applications.

information theory↗
DOE OSTI2025

Modeling of Precipitation over Africa: Progress, Challenges, and Prospects

In recent years, there has been an increasing need for climate information across diverse sectors of society. This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and change. Likewise, this period has seen a significant increase in our understanding of the physical processes and mechanisms that drive precipitation and its variability across different regions of Africa. By leveraging a large volume of climate model outputs, numerous studies have investigated the model representation of African precipitation as well as underlying physical processes. These studies have assessed whether the physical processes are well depicted and whether the models are fit for informing mitigation and adaptation strategies. This paper provides a review of the progress in precipitation simulation over Africa in state-of-the-science climate models and discusses the major issues and challenges that remain.

CMIP6↗
DOE OSTI2025

An adaptive and stability-promoting layerwise training approach for sparse deep neural network architecture

This work presents a two-stage adaptive framework for progressively developing deep neural network (DNN) architectures that generalize well for a given training data set. In the first stage, a layerwise training approach is adopted where a new layer is added each time and trained independently by freezing parameters in the previous layers. We impose desirable structures on the DNN by employing manifold regularization, sparsity regularization, and physics-informed terms. We introduce a ε – δ – stability-promoting concept as a desirable property for a learning algorithm and show that employing manifold regularization yields a ε – δ stability-promoting algorithm. Further, we also derive the necessary conditions for the trainability of a newly added layer and investigate the training saturation problem. In the second stage of the algorithm (post-processing), a sequence of shallow networks is employed to extract information from the residual produced in the first stage, thereby improving the prediction accuracy. Numerical investigations on prototype regression and classification problems demonstrate that the proposed approach can outperform fully connected DNNs of the same size. Moreover, by equipping the physics-informed neural network (PINN) with the proposed adaptive architecture strategy to solve partial differential equations, we numerically show that adaptive PINNs not only are superior to standard PINNs but also produce interpretable hidden layers with provable stability. As a result, we also apply our architecture design strategy to solve inverse problems governed by elliptic partial differential equations.

42 ENGINEERING↗
DOE OSTI2026

Quantum speed limit for the out-of-time-ordered correlator from an open-system perspective

Scrambling, the delocalization of initially localized quantum information, is commonly characterized by the out-of-time-ordered correlator (OTOC). Employing the OTOC–Renyi-2 entropy theorem, we derive a quantum speed limit for the OTOC, which sets a lower bound for the rate with which information can be scrambled. This bound becomes particularly tractable by describing the scrambling of information in a closed quantum system as an effective decoherence process of an open system interacting with an environment. We prove that decay of the OTOC can be bounded by the strength of the system-environment coupling and two-point environmental correlation functions. We validate our analytic bound numerically using the nonintegrable transverse field Ising model. Furthermore, our results provide a universal and model-agnostic quantitative framework for understanding the dynamical limits of information spreading across quantum many-body physics, condensed matter systems, and engineered quantum platforms.

Fermions↗
DOE OSTI2024

Merged Observatory Data Files (MODFs): an integrated observational data product supporting process-oriented investigations and diagnostics

A large and ever-growing body of geophysical information is measured in campaigns and at specialized observatories as a part of scientific expeditions and experiments. These collections of observed data include many essential climate variables (as defined by the Global Climate Observing System) but are often distinguished by a wide range of additional non-routine measurements that are designed to not only document the state of the environment but also the drivers that contribute to that state. These field data are used not only to further understand environmental processes through observation-based studies but also to provide baseline data to test model performance and to codify understanding to improve predictive capabilities. To address the considerable barriers and difficulty in utilizing these diverse and complex data for observation–model research, the Merged Observatory Data File (MODF) concept has been developed. A MODF combines measurements from multiple instruments into a single file that complies with well-established data format and metadata practices and has been designed to parallel the development of corresponding Merged Model Data Files (MMDFs). Using the MODF and MMDF protocols will facilitate the evolution of model intercomparison projects into model intercomparison and improvement projects by putting observation and model data “on the same page” in a timely manner. The MODF concept was developed especially for weather forecast model studies in the Arctic. The surprisingly complex process of implementing MODFs in that context refined the concept itself. Thus, this article explains the concept of MODFs by providing details on the issues that were revealed and resolved during that first specific implementation. Detailed instructions are provided on how to make MODFs, and this article can be considered a MODF creation manual.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Data-model files associated with the manuscript "Modeling the Effects of Wetland Restoration on Coastal Hydrology: A Case Study of Elkhorn Slough Watershed, California"

This package contains the data, simulation setups, notebooks and figures used in “Modeling the Effects of Wetland Restoration on Coastal Hydrology: A Case Study of Elkhorn Slough Watershed, California” (Xu et al., 2025). In this study, we selected Elkhorn Slough, a tidal estuary, in California, to investigate the impact of wetland restoration and sea level rise on coastal hydrology using the process-based coastal hydrologic model, Advanced Terrestrial Simulator (ATS), informed by site-specific data. We designed a novel modeling workflow for incorporating wetland restoration features into land cover and soil properties for the model parameterization. The validation results demonstrate a strong agreement between modeled and observed data. We studied the characteristics of coastal watershed hydrology, then focused on the surface water dynamics at two wetland sites within Elkhorn Slough, a reference site and a restored site. Our simulation results indicate that the restored site successfully maintains surface elevation, resulting in reduced surface inundation. We also examined the impact of wetland restoration under expected sea level rise over the next few decades. The low-lying Yampah Marsh, the reference site, is likely to be inundated due to future sea level rise when highest tides arrive; while a higher percentage of Hester Marsh, the restored site, would retain marsh vegetation in coming decades, regardless of tidal conditions. Our study provides important information for examining the outcome of restoration practices that include surface elevation in tidal wetlands under climate changes.Several files can be found from this data package.1. README.md: This file describes the title, journal, co-authors, abstract, repository structure and model version.2. Simulation_Setups.zip: The file contains the model configuration files (XML format) for ATS. 3. Notebooks.zip: The file contains the Jupyter notebooks for generating the pre- and post-restoration meshes and the meshes of future scenarios. 4. Figures.zip: The file contains the figures used in the manuscript.5. Data.zip: The file contains the data used to drive the model simulations, including watershed and wetlands boundaries, mesh files and references to additional datasets (e.g., meteorological forcing, tidal dataset, DEMs, land cover, soil properties). Also, it contains water level observations at the restored wetland.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Atomic Precision Processing of Two-Dimensional Materials for Next-Generation Microelectronics

The growth of the information era economy is driving the pursuit of advanced materials for microelectronics, spurred by exploration into “Beyond CMOS” and “More than Moore” paradigms. Atomically thin 2D materials, such as transition metal dichalcogenides (TMDCs), show great potential for next-generation microelectronics due to their properties and defect engineering capabilities. This perspective delves into atomic precision processing (APP) techniques like atomic layer deposition (ALD), epitaxy, atomic layer etching (ALE), and atomic precision advanced manufacturing (APAM) for the fabrication and modification of 2D materials, essential for future semiconductor devices. Additive APP methods like ALD and epitaxy provide precise control over composition, crystallinity, and thickness at the atomic scale, facilitating high-performance device integration. Subtractive APP techniques, such as ALE, focus on atomic-scale etching control for 2D material functionality and manufacturing. In APAM, modification techniques aim at atomic-scale defect control, offering tailored device functions and improved performance. Achieving optimal performance and energy efficiency in 2D material-based microelectronics requires a comprehensive approach encompassing fundamental understanding, process modeling, and high-throughput metrology. Finally, the outlook for APP in 2D materials is promising, with ongoing developments poised to impact manufacturing and fundamental materials science. Integration with advanced metrology and codesign frameworks will accelerate the realization of next-generation microelectronics enabled by 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Water quality data collected from the Muskegon River (MI, USA) using AquaBOT June-July 2024.

This dataset contains processed output from AquaBOT, which combines 30-second interval measurements of GPS location and YSI water quality parameters (temperature (degrees Celsius), dissolved oxygen (mg/l), specific conductance(microSiemens/cm at 25 degrees Celsius), and turbidity (NTU)), for 3 sections of the Muskegon River in Michigan, USA. The file aquabot2024_MuskegonRiver.csv has information on locations, dates and times, and observations. The data were processed by removing observations recorded before and after AquaBOT was in the water and observations where no data values were recorded. No other QA/QC was done. This research was performed as part of the DOE Research Development and Partnership Pilot award “Expanding Collaborative Capacity to Address Climate Resiliency in the Great Lakes Region”, which aims to expand collaborations between researchers at Central Michigan University and U.S. Department of Energy labs and projects focused on enhancing climate resilience in Great Lakes communities and ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Visualizing Size-Dependent Dynamics of CeO 2-δ {100}-Supported CoO x Nanoparticles Under CO 2 Hydrogenation Conditions

Carbon dioxide is a major greenhouse gas. In order to optimize processes focused on its chemical valorization, one needs detailed information about the effects of CO 2 and/or CO 2 /H 2 mixtures on the structure and morphology of metal/oxide catalysts. Here, in this study, the evolution of a catalyst with cobalt supported on CeO 2 -cube nanostructures under CO 2 hydrogenation conditions was investigated by using a set of in situ characterization techniques (X-ray absorption fine structure, X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy, and environmental transmission electron microscopy (TEM)). The {100} facets of the ceria support displayed an unexpectedly high stability due to strong interactions with the aggregates of cobalt oxide. A significant influence of interfacial bonding between CoO x and CeO 2-δ {100} is evident through a clear preference in the orientation of CoO x nanoparticles (NPs) with respect to the substrate. For initially reduced Co/CeO 2 -cube nanostructures, a kinetically controlled oxidation of cobalt upon the introduction of CO 2 was observed during the early stages of CO 2 hydrogenation. Environmental TEM revealed the size-dependent morphological behavior of cobalt oxide NPs due to strong interactions with the CeO 2 {100} surface. When the environment was switched from H 2 to a mixture of H 2 and CO 2 at 250 °C, small CoO x NPs (in the largest dimension < 2.5 nm) rapidly transformed from a pyramidal three-dimensional (3D) form to a planar, monatomic layer attached to the concurrently oxidized CeO 2-δ {100} surface. This maximizes the number of sites available for the binding of CO 2 or reaction intermediates. The shape transformation reflected the oxophilic character of cobalt and strong metal–support interactions. The removal of CO 2 from the gas phase led to a reduction of the cobalt oxide NPs by hydrogen and a reversible two-dimensional → 3D transformation. In contrast, no significant morphological changes, apart from further oxidation, were observed for big CoO x NPs (in the largest dimension > 3 nm). These trends are not seen for nanoparticles of noble metals. The observed morphological and structural changes in the small CoO x NPs affected the stability of reaction intermediates and modified the selectivity of the CoO x /CeO 2 catalyst system for methane production.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Temperature and Water Levels Collectively Regulate Methane Emissions From Subtropical Freshwater Wetlands

Abstract Wetlands are the largest and most climate‐sensitive natural sources of methane. Accurately estimating wetland methane emissions involves reconciling inversion (“top‐down”) and process‐based (“bottom‐up”) models within the global methane budget. However, estimates from these two model types are inherently interdependent and often reveal substantial discrepancies. To enhance the reliability of both approaches, we need a comprehensive understanding of wetland methane emissions and an independent high‐resolution long‐term flux data set. Here, we employed a data‐driven random forest approach to identify key variables influencing methane emissions from subtropical freshwater wetlands in the Southeastern United States. The model‐estimated monthly mean methane fluxes fit well with measured methane fluxes ( R 2 = 0.67) at four representative FLUXNET‐CH4 wetland sites across the region. Variable importance analysis highlighted the sensitivity of subtropical freshwater wetland methane emissions to variations in both temperature and water levels. High temperatures facilitate methanogenesis by enhancing microbial activities, while elevated water levels maintain anaerobic conditions necessary for methane production. Notably, the response of methane emissions to water level fluctuations is contingent on temperature conditions, and vice versa. Moreover, we constructed the first high‐spatial‐resolution (∼1 km × 1 km) and long‐term (1982–2010) gridded regional wetland methane flux product for the Southeastern United States, estimating annual methane emissions from subtropical freshwater wetlands in the region at 4.93 ± 0.11 Tg CH 4 yr −1 for 1982–2010. This new benchmark product holds promise for validating and parameterizing uncertain wetland methane emission processes in bottom‐up models and provides improved prior information for top‐down models.

He, Keqi [Earth and Climate Sciences Nicholas Scho↗
DOE OSTI2024

Resolving length-scale-dependent transient disorder through an ultrafast phase transition

Abstract Material functionality can be strongly determined by structure extending only over nanoscale distances. The pair distribution function presents an opportunity for structural studies beyond idealized crystal models and to investigate structure over varying length scales. Applying this method with ultrafast time resolution has the potential to similarly disrupt the study of structural dynamics and phase transitions. Here we demonstrate such a measurement of CuIr 2 S 4 optically pumped from its low-temperature Ir-dimerized phase. Dimers are optically suppressed without spatial correlation, generating a structure whose level of disorder strongly depends on the length scale. The redevelopment of structural ordering over tens of picoseconds is directly tracked over both space and time as a transient state is approached. This measurement demonstrates the crucial role of local structure and disorder in non-equilibrium processes as well as the feasibility of accessing this information with state-of-the-art XFEL facilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

ALS mutations disrupt self-association between the ubiquilin STI1 hydrophobic groove and internal placeholder sequences

Ubiquilins are molecular chaperones that play multifaceted roles in proteostasis, with point mutations in UBQLN2 leading to altered phase-separation properties and amyotrophic lateral sclerosis (ALS). Our mechanistic understanding of this essential process has been hindered by a lack of structural information on the STI1 domain, which is essential for ubiquilin chaperone activity and phase separation. Here, we present the first crystal structure of a ubiquilin-family STI1 domain bound to a transmembrane domain (TMD), and show that ALS mutations disrupt the STI1-TMD interaction. We further demonstrate that ubiquilins contain multiple conserved internal sequences that bind to the STI1 domain, including the PXX-repeat region that is a hotspot for ALS mutations. We propose that these placeholder sequences prevent solvent exposure of the STI1 hydrophobic groove and contribute to the multivalency that drives ubiquilin phase-separation. Together, this work provides a new paradigm for understanding how STI1 domains modulate ubiquilin chaperone activity and phase separation, and offers insights into the molecular basis of ALS pathogenesis.

Onwunma, Joan [Univ. of Toledo, OH (United States)↗
DOE OSTI2024

Anticathode effect on electron kinetics in electron beam generated E × B plasma

Electron beam (e-beam) generated plasmas with applied crossed electric and magnetic (E x B) fields are promising for low damage processing of materials with applications to microelectronics and quantum information systems. In cylindrical e-beam E x B plasmas, radial confinement of electrons and ions is achieved by an axial magnetic field and radial electric field, respectively. To control the axial confinement of electrons, such e-beam generated plasma sources may incorporate a conducting boundary known as an anticathode, which is placed on the axially opposite side of the plasma from the cathode. In this work, it is shown that varying the anticathode voltage bias can control the degree to which the anticathode collects or repels incident electrons, allowing control of warm electron (electron energies in 10–30 eV range) and beam electron population confinement. It is suggested that the effect of the anticathode bias on the formation of these distinct electron populations is also associated with the transition between weak turbulence and strong Langmuir turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Hierarchical Estimation For Planetary Protection

The software uses Bayes' theorem to describe the probability of an event based on prior knowledge of conditions that might be related to the event. The purpose of Bayesian analysis is to determine posterior probabilities based on prior probabilities where new information can be used in the decision-making process as additional data is gathered. The software will be used in Probabilistic Risk Assessments (PRAs) related to the Europa Clipper mission, which is one of NASA’s top priorities. Ultimately, the mission entails sending the Europa Clipper spacecraft to Jupiter’s Europa moon to orbit the planet and collect data for research and development. Europa is the smallest of the four Galilean moons orbiting Jupiter and is believed by researchers to be the most promising place to look for present-day environments suitable for life. Europa is thought to have an iron core, a rocky mantle, and a salt-water ocean covered by an ice-layered surface.

Gribok, Andrei [Idaho National Laboratory (INL), I↗
DOE OSTI2026

Post-fire time series photos from five sites across the Oak Creek watershed, Washington

This dataset supports a broader study examining wildfire impacts on hydrologic connectivity across 5 sites within the Oak Creek watershed and the resulting biogeochemical impacts. Sites were selected using the Advanced Terrestrial Simulator (ATS) hydrologic model to identify locations with varying groundwater contributions and hydrologic responses across different burn severity scenarios. The Retreat Fire burned from July 23 to August 2, 2024, affecting all five sites. This dataset provides time series game camera photos, while the broader study includes continuous water quality monitoring, biogeochemical sampling of water and soils, precipitation data, and organic matter analysis. The other data types and additional metadata (include site environmental information) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018020. Because this study is ongoing, this data package will be updated regularly to include newly collected photos. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. This dataset is comprised of (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) field protocol; and (6) folders of game camera photos. The game camera photos are organized by site with subfolders by month of collection. The field metadata contains a subset of the information collected that is most relevant to photo-processing. The full set of field metadata can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/3018020. All files are .csv, .pdf, or .jpg.

Burn severity↗
DOE OSTI2024

Evaluating the Effectiveness of Retrieval-Augmented Large Language Models in Scientific Document Reasoning

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to solve these issues by retrieving relevant information from external data sources and augment the training process. These models helps to trace evidence from an externally provided knowledge base allowing the model predictions to be better interpreted and verified. In this work, we critically evaluate these models in their ability to perform in scientific document reasoning tasks. To this end, we tuned multiple such model variants with science-focused instructions and evaluated them on a scientific document reasoning benchmark for the usefulness of the retrieved document passages. Our findings suggest that models justify predictions in science tasks with fabricated evidence and leveraging scientific corpus as pretraining data does not alleviate the risk of evidence fabrication.

• Artificial intelligence (AI) / machine learning ↗
DOE OSTI2025

From Theory to Practice: Feasibility Study of a Thermal Microgrid at a DoD Installation

Advanced district thermal energy systems, also known as thermal microgrids, can meet the energy needs of urban districts in a highly efficient way, but adoption of such systems, especially in the United States, has been slow. Thermal microgrids use a network circulating water at near-ambient (60-80 degrees F; 15-25 degrees C) temperatures, and water-source heat pumps at connected buildings are used to boost or lower the temperature for space conditioning and service hot water. Addressing challenges related to retrofits of existing buildings for integration with such systems, as well as quantifying the benefits of different configurations, will be key to accelerating their adoption. This paper aims to contribute to that by reporting preliminary results from a feasibility study of a thermal microgrid at a U.S. Department of Defense installation and illustrating the process of conceptual design to seek the best possible performance within the many constraints of existing buildings. The cluster of buildings under consideration in this study has much in common with commercial buildings in the United States. The process of and results from this feasibility study can inform assessment of the potential for thermal microgrids in other locations and help unlock the benefits of such systems for resilience and energy savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

From Theory to Practice: Feasibility Study of a Thermal Microgrid at a DoD Installation: Preprint

Advanced district thermal energy systems, also known as thermal microgrids, can electrify and decarbonize urban districts in a highly efficient way, but adoption of such systems, especially in the US, has been slow. Thermal microgrids use a network circulating water at near-ambient (60-80 degree F) (15- 25 degree C) temperatures, and water-source heat pumps at connected buildings to boost or lower the temperature for space conditioning and domestic hot water. Addressing challenges related to retrofits of existing buildings for integration with such systems, as well as quantifying the benefits of different configurations, will be key to unlocking the full potential of thermal microgrids for energy savings, decarbonization, and resiliency. This paper will do that, by reporting on preliminary results from a feasibility study of a thermal microgrid, and illustrating the process of conceptual design to seek the best possible performance, within the many constraints of existing buildings. The feasibility study focuses on a cluster of existing buildings, including a grocery store, big box style retail store, motel, and clinic, at a US Department of Defense installation in Germany. The study will assess the performance of a pilot-scale thermal microgrid serving those buildings, in terms of energy, emissions, and life cycle cost, and assess practical considerations (such as building retrofits and scalability) for future implementation. A significant opportunity exists for waste heat recovery from refrigeration at the grocery store (more than offsetting the entire building s space heating load in terms of waste heat availability), and modeling of the proposed thermal microgrid will assess the benefits of the waste heat integration. The moderate operating temperatures of thermal microgrids facilitate the integration of waste heat from a variety of sources, and the networks allow waste heat to be shared amongst buildings in proximity. Along with results on expected energy and emissions performance, as well as waste heat integration, the paper will assess implications of load diversity on system performance. The paper will also discuss the process of evaluating existing building HVAC systems for compatibility with a thermal microgrid, including the feasibility of lower heating hot water temperatures compatible with currently-available water-to-water heat pumps. The cluster of buildings under consideration in this study has much in common with commercial buildings in the United States. The process of and results from this feasibility study can inform assessment of the potential for thermal microgrids in other locations and help unlock the benefits of such systems for decarbonization and energy savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗