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DOE OSTI2025

Highly Tunable Valley Polarization of Potential-Trapped Moiré Excitons in WSe 2 /WS 2 Heterojunctions

Moiré superlattices created by stacking atomic layers of transition metal dichalcogenide semiconductors have emerged as a class of fascinating artificial photonic and electronic materials. An appealing attribute of these structures is the inheritance of the valley degree of freedom from the constituent monolayers. Recent studies show evidence that the valley polarization of the moiré excitons is highly tunable. In heterojunctions of WSe 2 /WS 2 , marked improvement in valley polarization is observed by increasing optical excitation power, a behavior that is quite distinct from the monolayers, and lacks a clear understanding so far. Here, in this Letter, we show that this highly tunable valley property arises from filling of the moiré superlattice, which provides an intriguing mechanism for engineering these quantum opto-valleytronic platforms. Our data further demonstrate that the long-range electron-hole exchange interaction, despite being significantly weakened in the junctions, is the dominant source of moiré exciton intervalley scattering at low population. Using magnetic field tuning, we quantitatively determine the exchange interaction strength to be 0.03 and 0.24 meV for 0° and 60° twisted samples, respectively, in our experiments, about 1 order of magnitude weaker than that in the monolayers.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

2024 NMDC Ambassador Training Materials [Slides]

The NMDC is a sustainable data discovery platform that promotes open science and shared-ownership across a broad and diverse community of researchers, funders, publishers, societies, and other collaborators. The NMDC aims to enable multi-omic microbiome research to accelerate scientific discovery. The NMDC is a Department of Energy funded program that is a collaboration between 3 National Laboratories: Lawrence Berkeley National Laboratory (LBNL), Los Alamos National Laboratory (LANL), and Pacific Northwest National Laboratory (PNNL).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

A Framework for Addressing Hydropower Modeling Gaps in Electric Grid Planning and Operational Studies [Slides]

Realistic representation of hydropower in power system planning and operation studies is extremely important as it helps in avoiding under/over-estimation of the services the hydro power units can provide. A framework and tools have been developed to account for hydrological conditions and modify power system models accordingly. For example, HyDat – data and AI driven platform, that provides that data required for editing the power system model files Collaborative effort with V&R Energy. Also, development of POM based tools have been performed, a) Tool1: editing .raw files with realistic current and maximum hydrogeneration and redispatch of other units, and b) Tool2: Editing .dyr files to represent water head, current and maximum generation. Finally the framework, HASP framework combines HyDat and V&R energy tools to produce modified power system model files. Key Take-away points from contingency analysis studies include a) the number of critical contingencies increases as the water levels are reduced (70%>75%>80%), and b) both the extent and the quality of dynamic response of the Hydropower unit is different with varying water head levels.

13 HYDRO ENERGY↗

DOE OSTI2025

Defining a Platform Approach and Market Participation: Data Driven Business Models for Solid State Transformer-Based Synthetic Inertia and Voltage Stability Controls (CRADA Final Report, Project 1, Mod 1)

The primary objective of this project is to determine the incremental value created with the medium voltage solid-state transformer (MV SST) technology to different stakeholders in view of the updated DER grid regulations. This includes studying the benefits of the MV SST technology in a range of use cases for EV and DER penetration including (1) “corridor charging” for EVs and (2) solar plus storage (FERC 2222). The potential customers of this technology include utilities for EV charging, DER installers who must meet utility interconnection requirements, balancing authorities, and DER aggregators. The traditional transformers on the grid could be a limiting factor for the EV-grid integration as the distribution transformers were not designed to handle the dynamic and fluctuating EV charging loads. Thus, the issues such as voltage fluctuations, increased losses and reduced efficiency [1] can negatively impact the grid operation. To address these challenges, transformers with flexibility and adaptability become imperative to meet the evolving energy demands. In this regard, the concept of Medium Voltage Solid-State Transformers.

14 SOLAR ENERGY↗

DOE OSTI2024

New U.S. Data Tools are Playing a Crucial Role in Decarbonizing Buildings at Speed, Scale, and Low Cost

Preparing buildings for retrofits traditionally requires expensive on-site audits or time- intensive simulation models. As a result, the majority of buildings fail to pursue cost-saving retrofits. To address these barriers, the U.S. Department of Energy (DOE) has introduced the Building Efficiency Targeting Tool for Energy Retrofits (BETTER)—a new, free, on-line tool that utilizes a data-driven analytical engine and user-friendly web interface to automatically analyze a building’s monthly energy usage in response to weather conditions. The tool benchmarks a building’s electric and fossil energy usage against peers; estimates energy, cost, and emissions reductions at the building and portfolio levels; recommends energy efficiency measures; and prioritizes buildings for net-zero energy retrofits. Thanks to interoperability with the DOE’s Standard Energy Efficiency Data (SEED) platform, BETTER is supporting U.S. jurisdictions to prepare buildings for retrofit at speed, scale, and low cost to comply with energy policies. This paper discusses the use of BETTER and SEED by one of the branches of the California state government to streamline a retrofit program across 455 public non-residential buildings to align with state goals to reduce greenhouse gas emissions. It describes the organization’s challenge to reduce energy consumption across a geographically diverse, aging portfolio; explores how BETTER and SEED improved workflow efficiency; presents preliminary results, including avoiding audit costs of $3.28 million and developing the groundwork for retrofit projects estimated to prevent emission of 2,271 t CO2e annually; and provides guidance for other jurisdictions seeking similar results.

Li, han↗

DOE OSTI2025

A Hybrid System for High-Accuracy Timekeeping Using Millisecond Pulsars

Millisecond pulsars exhibit extremely stable rotational periods with negligible long-term variation, comparable to atomic clocks. Leveraging pulsar signal stability, this paper presents a hybrid Pulse Per Second (PPS) generation system for high-accuracy and GPS-independent timing. The system combines pulsar and GPS signals through a high-speed data acquisition platform featuring FPGA-driven processing and techniques. This design provides a reliable and precise timekeeping solution for energy systems, ensuring functionality when GPS signals are unavailable.

Wu, Ori [ORNL] (ORCID:0000000326723410)↗

DOE OSTI2025

TransPlatformer

We propose TransPlatformer for translating toxicogenomics from one platform to another. Transcriptomic profiling has evolved through multiple generations of technology, from microarrays (e.g., Affymetrix, CodeLink) to more recent high-throughput sequencing and targeted panels such as S1500+. Microarrays, which dominated gene expression studies in the early 2000s, provided affordable and high-throughput transcript quantification but suffered from cross-hybridization issues and limited dynamic range . RNA-Seq, introduced in the late 2000s, revolutionized transcriptomics by enabling unbiased and comprehensive gene expression analysis, albeit at higher costs and computational demands . Despite advances, many studies rely on historical microarray data, necessitating the translation of legacy data into modern platforms to ensure continuity and comparability. This translation is complicated by factors such as platform-specific probe design, differences in transcript coverage, and batch effects . Existing methods for cross-platform mapping include statistical normalization, machine learning models, and biological anchoring approaches. The ability to translate transcriptomic data between platforms has broad implications, including enhanced meta-analyses, improved toxicological modeling, and better integration of historical datasets with contemporary research. TransPlatformer seeks to contribute to this effort by evaluating translation methodologies and proposing novel strategies to improve cross-platform gene expression harmonization. In this repository there are code examples for TransPlatformer implementation

Cong, Guojing↗

DOE OSTI2024

The Galaxy platform for accessible, reproducible, and collaborative data analyses: 2024 update

Galaxy (https://galaxyproject.org) is deployed globally, predominantly through free-to-use services, supporting user-driven research that broadens in scope each year. Users are attracted to public Galaxy services by platform stability, tool and reference dataset diversity, training, support and integration, which enables complex, reproducible, shareable data analysis. Applying the principles of user experience design (UXD), has driven improvements in accessibility, tool discoverability through Galaxy Labs/subdomains, and a redesigned Galaxy ToolShed. Galaxy tool capabilities are progressing in two strategic directions: integrating general purpose graphical processing units (GPGPU) access for cutting-edge methods, and licensed tool support. Engagement with global research consortia is being increased by developing more workflows in Galaxy and by resourcing the public Galaxy services to run them. The Galaxy Training Network (GTN) portfolio has grown in both size, and accessibility, through learning paths and direct integration with Galaxy tools that feature in training courses. Code development continues in line with the Galaxy Project roadmap, with improvements to job scheduling and the user interface. Environmental impact assessment is also helping engage users and developers, reminding them of their role in sustainability, by displaying estimated CO 2 emissions generated by each Galaxy job.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

DuraMAT Data Hub

The DuraMAT Data Hub has been supporting the consortium for the past six years. The Data Hub has had success in supporting the projects, providing a platform for sharing data within projects and to the public, and learning how to better leverage the existing software platform and the available Amazon Web Services environment. During this new generation of the Data Hub, we are looking at ways to help improve the data hub architecture, user experience, and improve operations by taking advantage of new technology platforms and software that will be more impactful on the consortium researchers and the broader scientific community. In this poster we will look at the current operational capabilities, data dissemination, and development that will improve the system in the near and far future.

14 SOLAR ENERGY↗

DOE OSTI2026

An interactive machine learning platform for analyzing multi-particle coincidence data from cold target recoil ion momentum spectroscopy

We present SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training), a comprehensive software platform for analyzing tabulated high-dimensional multi-particle coincidence data from Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) experiments. The software addresses critical challenges in modern momentum spectroscopy by integrating advanced machine learning techniques with physics-informed analysis in an interactive web-based environment. SCULPT implements uniform manifold approximation and projection for non-linear dimensionality reduction to reveal correlations in high-dimensional data. We also discuss potential extensions to deep autoencoders for feature learning and genetic programming for automated discovery of physically meaningful observables. A novel adaptive confidence scoring system provides quantitative reliability assessments by evaluating user-selected clustering quality metrics with predefined weights that reflect each metric’s robustness. The platform features configurable molecular profiles for different experimental systems, interactive visualization with selection tools, and comprehensive data filtering capabilities. Utilizing a subset of SCULPT’s capabilities, we analyze photo-double-ionization data measured using the COLTRIMS method for three-body dissociation of the D 2 O molecule, revealing distinct fragmentation channels and their correlations with physics parameters. The software’s modular architecture and web-based implementation make it accessible to the broader atomic and molecular physics community, significantly reducing the time required for complex multi-dimensional analyses. This opens the door to finding and isolating rare events exhibiting non-linear correlations on the fly during experimental measurements, which can help steer exploration and improve the efficiency of experiments.

Artificial neural networks↗

DOE OSTI2025

Tracking seasonal variability in plant traits from spaceborne PRISMA and NEON AOP across forest types and ecoregions

Plant traits serve as critical indicators of how plants adapt to environmental changes and influence ecosystem functions. While airborne hyperspectral remote sensing effectively maps plant traits through detailed reflectance properties, it is limited by cost and scale, making large-scale and temporal studies challenging. The recently launched spaceborne hyperspectral imager, PRecursore IperSpettrale della Missione Applicativa (PRISMA), offers frequent, large scale and high-fidelity observations on a spatial resolution of 30 m and a revisit time of around 29 days, making it suitable for large-scale seasonal trait mapping. However, their potential remains largely unexplored. This study developed a multi-stage framework by leveraging the PRISMA spaceborne hyperspectral data and National Ecological Observatory Network (NEON) Airborne Observation Platform (AOP) hyperspectral data to investigate the seasonal dynamics of four key plant traits — chlorophyll content, carotenoid content, equivalent water thickness, and nitrogen content — across eleven NEON sites representing diverse forest types and ecoregions in the contiguous U.S. Our results demonstrated that PRISMA hyperspectral data can reliably track seasonal variability in plant traits, achieving overall R 2 values ranging from 0.78 to 0.88 and normalized root mean square error (NRMSE) values ranging from 5.4% to 8.4% for the four traits. Seasonal patterns revealed bell-shaped trajectories for chlorophyll and carotenoids, while equivalent water thickness decreased steadily across most sites, driven by structural changes during leaf maturation and senescence. Nitrogen content exhibited less pronounced seasonal variation but followed expected nutrient resorption patterns. Analysis of environmental drivers showed that seasonal variability is primarily controlled by solar radiation and day length in northern sites, vapor pressure in semi-arid regions, and temperature in mid-southeastern sites. Spatial variability, meanwhile, was primarily driven by soil properties, particularly during the peak growing season. However, the influence of soil variables slightly declines toward the end of the season at several sites, as climatic factors become more prominent. This study highlights the capability of PRISMA, and potentially other similar spaceborne hyperspectral data for large-scale, time-series plant trait mapping and provides valuable insights into the interactions between plant traits and environmental factors. In conclusion, these findings contribute to advancing our understanding of plant functional ecology and improving predictions of ecosystem responses to environmental changes.

Environmental drivers↗

DOE OSTI2024

Relating Aerial Infrared Thermography Defects to Photovoltaic Performance: Preprint

In this research, we examine the relationship between aerial IR defect analysis and photovoltaic (PV) performance data for twelve utility- and commercial-scale solar sites in the United States. To do this, we fuse the site diagram geoJSON's, aerial infrared thermography (aIRT) defect analyses, and associated inverter time series, allowing for a direct comparison between site defects and time series data. Defect analyses were provided by Zeitview, under its Solar Insights platform. Following the data fusion process, we look at the relationship between system performance and aIRT defects. We investigate the relationship between degradation and hotspot defects, as well as the relationship between AC power data and offline strings and misaligned modules. In general, system degradation was not affected by long-term or balance-of-system (BoS) defects as they occurred infrequently in the data set. However, for one system, a near statistically significant relationship (p-value=0.057) was found when comparing the degradation of inverter blocks with several multi-hotspot defects to all other inverter blocks without this particular defect. There was strong alignment when comparing short-term recoverable module defects such as stuck trackers and offline strings to time series data. In general, we found that when an inverter block has more than 80% of modules flagged for one of these defects, its AC power time data is flat-lined and the inverter block is not producing.

aerial inspection↗

DOE OSTI2025

Livewire: Automatic Annotations

Diogenes processes datasets to provide data quality metrics for the Livewire platform and creates standardized data dictionaries from data annotations. Diogenes needs data annotations that clearly outline thenformat and organization of the data. It also relies on the type, class, and unit of each data piece for comprehensive analysis, which it cannot determine independently. The Annotation Tool significantly reduces the time needed to create annotations for Diogenes by generating data annotations with the correct formatting and content. It also employs machine learning and hard-coded models to automatically annotate data class, quality type, and data units.

33 - ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2026

Toward the Neutrino Discovery Platform: An Auditable, Uncertainty-Bearing Toolchain for MINERvA Open-Data Cross-Section Analysis

The Neutrino Discovery Platform (NDP) aims to accelerate DUNE-era science by making the neutrino program's existing datasets analyzable through fast, reproducible, and auditable workflows. We report a working version of two of its layers, data curation and agentic orchestration, built and tested end to end on MINERvA open data. The guiding lesson throughout is that a cross section is a measurement, and not just a plotted shape, only if it carries a defensible systematic-uncertainty budget, a trustworthy unfolding, and a reproducible record. Using a single medium-energy playlist pair from the MINERvA open-data release (about $2.05\times10^{17}$ protons on target of data), we first reproduced the shapes of two published charged-current inclusive $\nu_\mu$ measurements through a complete extraction ladder: selection, background subtraction, D'Agostini unfolding, efficiency correction, and flux normalization. These shape-level reproductions ran and tracked the published results, but they lacked the systematic-uncertainty machinery that defines a MINERvA cross section. To supply it, we vendored and built the MINERvA Analysis Toolkit and developed a many-universe systematic-uncertainty tool that produces a portable covariance artifact, a parallel event-loop runner, and a per-run auditability harness. Validated against a published covariance release, the toolchain reproduces the released statistical, flux, and muon-energy-scale terms and shows that they account for roughly 63\% of the total variance, with the remainder unreleased. Using this same infrastructure, we then performed a measurement of our own design, the hadronic recoil-energy distribution of low-energy ($E_\nu<2.5$~GeV) charged-current inclusive events, and found data/simulation shape agreement of $\chi^2/\mathrm{ndf}=1.26$. Together these results show that the platform supports original physics and not only reproductions.

Breaux, Auto [Tulane U. (main)]↗

DOE OSTI2025

House Advantage or House of Cards? Stacking the Deck for Data Videos Leads to Null Results: Preprint

Videos are becoming a ubiquitous means of sharing information on social media platforms. In response, data videos - short clips combining visualization with dynamic storytelling, audio descriptions, and spatial referencing - have gained popularity for communicating data. These affordances suggest that data videos might communicate data patterns, trends, and concepts more effectively than static visualizations, enhancing comprehension. However, existing research has not systematically tested this claim. To address this gap, we conducted three controlled studies to measure comprehension differences between data videos and static visualizations. Despite leveraging visual cues and audio explanations, no data video led to significantly better comprehension than an analogous static visualization. Our results suggest data videos are not categorically better and that future research should examine the tradeoffs between their engagement benefits and costs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Instantiation of the Damara Tern Platform for Advanced Materials and Manufacturing Technologies (AMMT) Program Collaborative Data Management

This work package focused on deploying an instance of the Damara Tern platform to support AMMT collaborative research activities. The objectives were to provide selected AMMT collaborators with access to a shared environment for capturing operations, trackables, and associated metadata, and to implement data entry functionalities that reflect site-specific procedures. Key activities included creating configurable, schema-driven entry forms and validating the data collection process. The report details the deployment process, the platform infrastructure, and the implemented data entry workflows, providing a reference for end users and establishing a foundation for future production-scale deployments.

36 MATERIALS SCIENCE↗

DOE OSTI2025

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.6.1

SAND2025-11565O HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) is a tool for conducting quantitative risk assessment (QRA) in transportation systems. HyRAM+ contains validated, simplified release behavior models, engineering models, and generic data relevant to hydrogen installations. HyRAM+’s platform integrates models and data to conduct QRA on user-defined hydrogen or other alternative fuel systems. The software will enable the international safety research community to add validated models to the HyRAM+ platform for use in QRAs. HyRAM (hydrogen-only) versions 1.0 to 3.1 were developed by Sandia for the Department of Energy (DOE) Hydrogen and Fuel Cell Technologies Office. The following agencies contributed to the development of HyRAM+ version 4.0 regarding the addition of methane (natural gas) and propane models: the DOE Vehicle Technologies Office and the Department of Transportation Pipeline and Hazardous Material Safety Administration. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Groth, Katrina [Sandia National Lab. (SNL-NM), Alb↗

DOE OSTI2024

Position Papers for the 2024 ASCR Workshop on Energy-Efficient Computing for Science

On behalf of the Advanced Scientific Computing Research (ASCR) program in the US Department of Energy (DOE) Office of Science, we are organizing a Workshop on Energy-Efficient Computing for Science (EECS). Energy efficiency involves coordination across all the interoperating components of a computing system—in particular, applications, algorithms, system software, programming models, data management, and the hardware on which they run. Looking 10-15 years into the future, the goal is to dramatically lower the energy costs of the computational platforms (from the data center to the edge) serving DOE science while expanding the capabilities of these systems, broadening their applicability to science challenges of interest to DOE and the nation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗