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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The DUNE Science Program

The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy for the implementation of this leading-edge, large-scale science project. The 2023 report of the US Particle Physics Project Prioritization Panel (P5) reaffirmed this vision and strongly endorsed DUNE Phase I and Phase II, as did the previous European Strategy for Particle Physics. The construction of DUNE Phase I is well underway. DUNE Phase II consists of a third and fourth far detector module, an upgraded near detector complex, and an enhanced > 2 MW beam. The fourth FD module is conceived as a 'Module of Opportunity', aimed at supporting the core DUNE science program while also expanding the physics opportunities with more advanced technologies. The DUNE collaboration is submitting four main contributions to the 2026 Update of the European Strategy for Particle Physics process. This submission to the 'Neutrinos and cosmic messengers', 'BSM physics' and 'Dark matter and dark sector' streams focuses on the physics program of DUNE. Additional inputs related to DUNE detector technologies and R&D, DUNE software and computing, and European contributions to Fermilab accelerator upgrades and facilities for the DUNE experiment, are also being submitted to other streams.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Quantum science with arrays of metastable helium-3 atoms

The motion of atoms in programmable optical tweezer arrays offers many new opportunities for neutral atom quantum science. These include inter- and intra-site atom motion for resource-efficient implementations of fermionic and bosonic modes, respectively, as well as tweezer transport for efficient compilation of arbitrary circuits. However, the exploitation of atomic motion for all three purposes and others is limited by the inertia of the atoms. We present a comprehensive architectural blueprint for the use of fermionic metastable helium-3 (He) atoms -- the lightest trappable atomic species -- in programmable optical tweezer arrays. This includes a concrete analysis of atomic structure considerations as well as Rydberg-mediated interactions. We show that inter-tweezer hopping of He atoms can be faster than previous demonstrations with lithium-6. We also demonstrate a new toolbox for encoding and manipulating qubits directly in the tweezer trap potential, uniquely enabled by the light mass of He. Finally, we provide several examples of new opportunities for fermionic quantum simulation and computation that leverage the transport and inter-tweezer hopping of He atom arrays. These tools present new methods to improve the resource efficiency of neutral atom quantum science that may also enable quantum simulations of lattice gauge theories and quantum chemistry outside the Born-Oppenheimer approximation

Li, Zheyuan↗
DOE OSTI2025

Updating the Building Science Advisor (BSA): A Tool to Assist in the Design of Durable Building Envelopes

Predicting the moisture durability of building envelope components remains challenging due to multiple influencing factors, including material selection, assembly positioning, local climate conditions, air tightness, interior environment, and construction quality. Building codes increasingly emphasize energy efficiency through enhanced insulation and tighter envelopes but offer limited guidance on moisture durability considerations. Consequently, builders face uncertainty, particularly as new materials and assemblies enter the market.The Building Science Advisor (BSA) is a free, web-based expert system developed to address these challenges by providing actionable insights into the moisture durability and energy efficiency of both new and retrofit wall designs. Recently updated, we are now providing version 3.0 of the tool. BSA features significant user interface improvements, enhancing navigation and user interaction through a refreshed, intuitive design. Additionally, the tool incorporates a newly developed database containing pre-simulated wall assembly cases, significantly reducing response times and improving the accuracy of moisture durability assessments. Furthermore, the updated BSA includes moisture content as a performance criterion, providing users with a more comprehensive understanding of moisture-related durability risks. These enhancements enable rapid, reliable assessments tailored to specific climate zones and local building practices. BSA continues to offer targeted guidance on wall retrofit scenarios and delivers access to an expanded library of location-specific building science resources.This paper describes these key updates, highlighting the enhanced features, expanded capabilities, and overall improvements to user experience and educational content. The paper includes a demonstration that illustrates how the revised BSA effectively supports practitioners in designing durable, energy-efficient building envelope assemblies.

Salonvaara, Mikael [ORNL] (ORCID:0000000318991554)↗
DOE OSTI2024

A Tutorial Set to Prepare for Science with the Vera C. Rubin Observatory

In this poster the Rubin Observatory's Community Science team (CST) presents its current suite of tutorials, which are designed to help people make use of simulated data sets in preparation for the upcoming Legacy Survey of Space and Time (LSST). We will show examples of the tutorial contents, provide custom learning modules for different astronomical fields, and describe the online environment for data analysis (the Rubin Science Platform; RSP). We will also supply a checklist for how to obtain an RSP account and access the tutorials. All are welcome to drop by the poster or the Rubin booth in the exhibit hall with questions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Using machine learning to jointly harness the strength of microscopic, fundamental-science driven and macroscopic, application-driven experiments

The PARADIGM project aims at accelerating progress in science by quantitatively answering the following question: What is the optimal combination of fundamental-science and application driven experiments to maximally reduce pertinent data uncertainties? Hence, we are bridging between microscopic experiments and data, and macroscopic simulations and experiments. Answering this question entails solving a high-dimensional and complex optimization problem which we solve with machine learning techniques.

LANSCE↗
DOE OSTI2025

CROCUS Urban Canyons - Space Science and Engineering Center (SPARC) Doppler lidar data

This is the netCDF format output from the Halo Photonics Streamline XR Doppler lidar that was deployed next to the Space Science and Engineering Center (SPARC) trailer at the University of Illnois-Chicago greenhouse parking lot during CROCUS Urban Canyons. The purpose of collecting this dataset is to provide vertical and horizontal wind profiles for studying the characteristics of turbulence over the urban canyon of Chicago. This data contains the radial velocity, intensity, and backscatter from the vertical profile, range height indicator, and sector scans that were performed over both Intensive Operating Period 1 and 2 of CROCUS Urban Canyons. There are four different types of files: * The Range Height Indicator (RHI) files contain scans that are along a constant azimuth, spanning the entire hemisphere of elevation values above the surface. * The Velocity Azimuth Display (VAD) files contain the raw radial velocity data from the 6-beam, 60 degree scans. * The User1 files contain stacked Plan Position Indicator scans over a 45 degree quadrant over downtown Chicago. * The Stare files contain vertically pointing scans. These are standard netCDF files that can be opened using xarray. The VAD scans can be processed from their raw radial velocities to horizontal wind speeds with the Atmospheric data Community Toolkit (https://arm-doe.github.io/ACT/).

EARTH SCIENCE > ATMOSPHERE > ATMOSPHERIC WINDS↗
DOE OSTI2026

Citizen science coupled with machine learning to quantify green-blue infrastructure cooling potential in Maricopa County, Arizona

Here, this study investigates the spatiotemporal cooling performance of green and blue infrastructure (GBI) in the Dobson Ranch urban neighborhood in Phoenix, Arizona. We leveraged citizen science near-surface (2 m) air temperature (Tair) measurements to train a highly accurate Tair predicting LightGBM machine learning model (R 2 : 0.986, MAE: 0.251 °C, RMSE: 0.585 °C). On June 16, 2024, the park area exhibited approximately 1 °C cooling effect (relative to the neighborhood mean) during both day and night. In contrast, the nearby artificial lake exhibited a stronger cooling effect of 2.4 °C during the day but a slight warming of 0.3 °C at night. At 00:00, locations 50 m downwind of the park were 0.3 °C warmer than the park, while locations 50 m upwind were 0.8 °C warmer. At 11:00, we observed that the downwind area is 0.8 °C cooler and the upwind area is 0.6 °C warmer—at the same 50 m distances relative to the park. We also observed 1 °C cooler and warmer effects respectively at the same 50 m downwind and upwind locations at 19:00 on June 17, 2024. Our data-driven analysis highlights potential limitations of car-traverse measurements, showing that failure to account for temporal variations during the traverse can lead to overestimation of Tair at night and underestimation during the day. Our analysis also showed only a weak correlation (coefficient: 0.48) between Landsat-derived land surface temperature (LST) and model predicted Tair at the time of the local Landsat overpass (∼11.00). This highlights the potential error of relying solely on LST for human thermal exposure analysis—particularly within the heterogenous built-environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Remotely Sensed High‐Resolution Soil Moisture and Evapotranspiration: Bridging the Gap Between Science and Society

This paper reviews the current state of high‐resolution remotely sensed soil moisture (SM) and evapotranspiration (ET) products and modeling, and the coupling relationship between SM and ET. SM downscaling approaches for satellite passive microwave products leverage advances in artificial intelligence and high‐resolution remote sensing using visible, near‐infrared, thermal‐infrared, and synthetic aperture radar sensors. Remotely sensed ET continues to advance in spatiotemporal resolutions from MODIS to ECOSTRESS to Hydrosat and beyond. These advances enable a new understanding of bio‐geo‐physical controls and coupled feedback mechanisms between SM and ET reflecting the land cover and land use at field scale (3–30 m, daily). Still, the state‐of‐the‐science products have their challenges and limitations, which we detail across data, retrieval algorithms, and applications. We describe the roles of these data in advancing 10 application areas: drought assessment, food security, precision agriculture, soil salinization, wildfire modeling, dust monitoring, flood forecasting, urban water, energy, and ecosystem management, ecohydrology, and biodiversity conservation. We discuss that future scientific advancement should focus on developing open‐access, high‐resolution (3–30 m), sub‐daily SM and ET products, enabling the evaluation of hydrological processes at finer scales and revolutionizing the societal applications in data‐limited regions of the world, especially the Global South for socio‐economic development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Advancing Marine Arctic Science through Facilitating International Collaborations

The Consortium for the Advancement of Marine Arctic Science (CAMAS) held its inaugural Workshop and Early Career School in Santa Fe, New Mexico, from 13 to 16 February 2024. The event brought together 80 Arctic marine scientists from around the world to discuss current research and to develop ideas for collaborative research projects that can be executed in the next few years to advance our understanding of the marine Arctic system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Atomic Layer Deposition (ALD) of Metal and Metal Oxide Films: A Surface Science Study (Final Report)

This is the final report for this project. The long-term objective of our project is to develop a general molecular-level picture of the surface chemistry associated with ALD processes. Our central hypothesis is that the chemistry of ALD precursors can differ significantly from that seen in solution. Awareness of such differences should provide general guidelines on what to watch for when synthesizing new ALD precursors and designing and optimizing new ALD processes, especially in terms of minimizing the incorporation of impurities in the growing films and of carrying out depositions under mild pressure and temperature conditions. The main objective of our research project has been to advance the fundamental knowledge of the surface chemistry of ALD precursors needed for the design and optimization of film deposition processes. A modern surface-science approach has been implemented to both elucidate the mechanism of the reactions of the precursors on the surface and characterize the composition and morphology of the growing films.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Report of the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science

This report summarizes insights from the 2025 Workshop on Next-Generation Ecosystems for Scientific Computing: Harnessing Community, Software, and AI for Cross-Disciplinary Team Science, which convened more than 40 experts from national laboratories, academia, industry, and community organizations to chart a path toward more powerful, sustainable, and collaborative scientific software ecosystems. To address urgent challenges at the intersection of high-performance computing (HPC), AI, and scientific software, participants envisioned agile, robust ecosystems built through socio-technical co-design—the intentional integration of social and technical components as interdependent parts of a unified strategy. This approach combines advances in AI, HPC, and software with new models for cross-disciplinary collaboration, training, and workforce development. Key recommendations include building modular, trustworthy AI-enabled scientific software systems; enabling scientific teams to integrate AI systems into their workflows while preserving human creativity, trust, and scientific rigor; and creating innovative training pipelines that keep pace with rapid technological change. Pilot projects were identified as near-term catalysts, with initial priorities focused on hybrid AI/HPC infrastructure, cross-disciplinary collaboration and pedagogy, responsible AI guidelines, and prototyping of public-private partnerships. This report presents a vision of next-generation ecosystems for scientific computing where AI, software, hardware, and human expertise are interwoven to drive discovery, expand access, strengthen the workforce, and accelerate scientific progress.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Atomic Layer Deposition (ALD) of Metal and Metal Oxide Films: A Surface Science Study (Final Report)

This is the final report for this project. The long-term objective of our project is to develop a general molecular-level picture of the surface chemistry associated with ALD processes. Our central hypothesis is that the chemistry of ALD precursors can differ significantly from that seen in solution. Awareness of such differences should provide general guidelines on what to watch for when synthesizing new ALD precursors and designing and optimizing new ALD processes, especially in terms of minimizing the incorporation of impurities in the growing films and of carrying out depositions under mild pressure and temperature conditions. The main objective of our research project has been to advance the fundamental knowledge of the surface chemistry of ALD precursors needed for the design and optimization of film deposition processes. A modern surface-science approach has been implemented to both elucidate the mechanism of the reactions of the precursors on the surface and characterize the composition and morphology of the growing films. In general, emphasis is being placed on: • Identifying the primary reactions that may lead to the deposition of clean films; •Identifying the secondary reactions that may help the ALD process, by, for instance, helping with the reduction (or oxidation) of the metal atom; • Identifying the secondary reactions that may lead to the deposition of undesirable impurities in the growing films; • Determining the kinetic parameters of the relevant surface reactions in order to define the optimum conditions for film deposition and to minimize impurity deposition. • Characterizing the nature of the resulting films, with focus on their stoichiometry and on the final oxidation states of the constituent elements; and • Using the information obtained to propose better precursors for given ALD processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The contributions of microclimatic information in advancing ecosystem science

Drawing upon over 100 years of scholarly work on microclimate, we first present an overview of the history, key references, and critical issues surrounding the collection and utilization of microclimate records in ecosystem studies. We place particular emphasis on addressing specific and pressing issues related to the applications of microclimate at the community-ecosystem-landscape level, excluding those of controlled experiment such as growth chambers and greenhouses. Specifically, we: (1) highlight some key issues concerning the collection, quality assurance/quality control (QA/QC), and utilization of microclimatic data in ecosystem studies; (2) revisit microclimatic responses to the structural changes of ecosystems and landscapes; and (3) emphasize the significance of microclimate in understanding major ecosystem/landscape processes and functions. Vapor pressure deficit (VPD) is particularly emphasized for its calculation and use because of its burgeoning applications in the literature. Case studies for each of the three thematic topics are provided with selected references to demonstrate challenges and solutions. As the scientific community gears up to enhance microclimatic stations, we envision significant increases in the use of smart sensors, wireless access, networking, open databases, and computational capabilities. Understanding and addressing some of the issues raised in this synthesis paper may help advance microclimate research and foster collaboration with other relevant disciplines, such as ecosystem science.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Deep learning model for fast, science-based forecasting of fluid migration along faults in geologic carbon storage scenarios

Effective long-term geologic storage depends on robust site selection and credible, science-based forecasting of subsurface behavior to ensure storage integrity. For this work, we develop a deep learning–based reduced-order model (ROM) to quantify potential carbon dioxide (CO₂) and brine migration through geological faults. The ROM combines a Transformer model for binary classification and a Stacked Ensemble for regression, trained on a comprehensive dataset generated from 1400 physics-based reservoir simulations. Key geologic and operational parameters—including fault geometry, reservoir structure, and injection conditions—were systematically varied to capture a wide range of fluid migration scenarios. The ROM accurately predicts the onset of migration, cumulative migration volumes of both CO₂ and brine, and associated migration rates, as compared to an independent set of validation simulations, while significantly reducing computational cost compared to traditional simulation methods. Model performance was evaluated across diverse fault configurations, revealing that shallow reservoir geometry and fault angle are among the most influential factors governing migration behavior. Sensitivity analysis using SHapley Additive exPlanations (SHAP) provided interpretability, revealing distinct patterns in how geological and operational features drive transient versus cumulative migration outcomes. The ROM’s ability to rapidly simulate fault migration scenarios enables efficient sensitivity analyses, scenario evaluations, and decision support for site selection and monitoring design. This approach enhances the safety, scalability, and long-term operational performance of geologic carbon storage (GCS) systems by providing a robust, interpretable tool for predicting subsurface fluid migration and assessing fault-related migration potential.

42 ENGINEERING↗
DOE OSTI2025

Validation of a Global Geospace Model With a Systems Science Approach Based on Canonical Correlation Analysis

A systems science approach based on canonical correlation analysis (CCA) is applied as a new, behavioral way to validate global geospace models. The biggest novelty of the technique is that it validates models at a system level, whereby a side‐by‐side comparison is performed of CCA applied to a 30‐day observational and the corresponding simulation data sets comprising quiet, moderate and active times. The simulation used the Multiscale Atmosphere‐Geospace Environment (MAGE) model. It is shown that (a) CCA must be combined with sensitivity analysis to be effective, (b) the MAGE model generally reproduces the observed behavior (more so for quieter time intervals), quantified by the intercorrelations between different variables and (c) the technique identifies the SuperMAG SML index as a quantity for which refinements of the model are needed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A multimodal large language model for materials science

Understanding and predicting the properties of inorganic materials is crucial for accelerating advancements in materials science and driving applications in energy, electronics and beyond. Integrating material structure data with language-based information through multimodal large language models (LLMs) offers great potential to support these efforts by enhancing human–artificial intelligence interaction. However, a key challenge lies in integrating atomic structures at full resolution into LLMs. In this work, we introduce MatterChat, a versatile structure-aware multimodal LLM that unifies material structural data and textual inputs into a single cohesive model. MatterChat uses a bridging module to effectively align a pretrained universal machine learning interatomic potential with a pretrained LLM, reducing training costs and enhancing flexibility. Our results demonstrate that MatterChat greatly improves performance in material property prediction and human–artificial intelligence interaction, surpassing general-purpose LLMs such as GPT-4. We also demonstrate its usefulness in applications such as more advanced scientific reasoning and step-by-step material synthesis.

Tang, Yingheng [Lawrence Berkeley National Laborat↗
DOE OSTI2025

Digital Twin for Chemical Science: a case study on water interactions on the Ag(111) surface

Directly visualizing chemical trajectories offers insights into catalysis, gas-phase reactions and photoinduced dynamics. Tracking the transformation of chemical species is best achieved by coupling theory and experiment. Here we developed Digital Twin for Chemical Science (DTCS) v.01, which integrates theory, experiment and their bidirectional feedback loops into a unified platform for chemical characterization. DTCS addresses a core question: given a set of experimental conditions, what is the expected outcome and why? It consists of a forward solver that takes a chemical reaction network and predicts spectra under experimental conditions, and an inverse solver that infers kinetics from measured spectra. We applied DTCS to ambient-pressure X-ray photoelectron spectroscopy measurements of the Ag–H2O interface as an example. This approach enables real-time knowledge extraction and guides experiments until a stopping condition is met based on accuracy and degeneracy. As a step toward autonomous chemical characterization, DTCS provides mechanistic knowledge in a verified, standardized manner.

Chemistry↗