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DOE OSTI2022

Development of a Gibbs Energy Minimiser for the MOOSE-based Corrosion Modelling App Yellowjacket and Validation of MSTDB

Nuclear materials are highly complex multiscale, multiphysics systems,and an effective prediction of nuclear reactor performance and safety requires simulation capabilities that tightly couple different physical phenomena. The Idaho National Laboratory’s Multiphysics Object Oriented Simulation Environment (MOOSE) provides the computational foundation for performing such simulations. With the move towards advanced reactors, such as the Molten Salt Reactor (MSR), that employ high temperature fluids compared to conventional reactors, corrosion has become a problem of great interest. A new application called Yellowjacket is currently under development to directly couple thermodynamic equilibrium and kinetics with phase field models in order to model corrosion in MSRs. As part of Yellowjacket, a Gibbs energy minimiser is being developed to perform thermochemical equilibrium calculations for a range of different materials, which is currently in its infancy. This report describes the further progress towards the development of Yellowjacket Gibbs energy minimiser. Ontario Tech University is developing a new Gibbs energy minimiser for Yellowjacket which is the primary contribution of this work. The aim to develop a thermochemistry solver for the MOOSE framework following the same development philosophy and using the same tools and libraries. A special focus is on performance, documentation and SQA. Furthermore through a scope extension partway through the fiscal year a thorough assessment of the MSTDB-TC v1.3 was performed at Ontario Tech University in the context of continuous improvement and quality assurance. The objective of the work was to have an arm’s length review of the database to give confidence that the database is performing as it was intended while assessing its current state to give recommendations to future developments. This assessment involved two parts: A) a quantitative assessment, and B) a qualitative assessment. Part A involved developing an automated test-suite that would compute values from the database using Thermochimica with comparisons to experimental measurements for validation purposes, which gives confidence to the database’s stakeholders that its functioning properly. Part B involved reviewing all binary systems in the database and making a qualitative assessment with two performance indicators: comprehensiveness and overall confidence. It is important to note that the models in the database are empirical, which is to say that the quality of any model is highly dependent on the experimental data used to inform its development.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

U.S. Agrivoltaics Irradiance Database

This is a foundational data set for research and deployment of agrivoltaics, which is the co-location of agriculture and solar power plants on the same land. This irradiance and shading dataset can be utilized to determine the suitability of agrivoltaics configurations for a given region and crop-type. The data is hourly, 4x4 km resolution across the contiguous United States and Hawaii. It is calculated from the National Solar Radiation Database sites, using the System Advisor Model (SAM) to simulate the shading patterns for 10 common agrivoltaics configurations. Sunlight availability data is reported for 10 locations on the ground between adjacent rows of solar panels, as well as averaged across areas of interest such as the average irradiance in the edge-to-edge open area or across 3-6 planting beds. Other available metrics include the input meteorological data from the NSRDB (e.g. global horizontal irradiance, wind speed, etc.) and estimates for comparing energy and agricultural characteristic across the 10 configurations, including power output per acre or per kW installed capacity and farmable land area per acre.

14 SOLAR ENERGY↗

DOE OSTI2022

Climate Vulnerability Assessment and Resilience Planning for Idaho National Laboratory

Idaho National Laboratory’s (INL’s) mission is to discover, demonstrate, and secure innovative nuclear energy solutions, other clean energy options, and critical infrastructure. This INL’s Climate Vulnerability Assessment and Resilience Plan (VARP) was developed to enable and sustain that mission while ensuring the viability of operations considering expected climate change impacts. The VARP was developed according to the narrative requirements from the “Vulnerability Assessment and Resilience Planning Guidance, Version 1.2” document issued in February 2022. A prescribed process was used to identify mission-critical systems and components, determine historical and expected climate impacts, and develop resilient solutions. Experts from across INL, including operations staff, researchers, and climate scientists supplied input to the process. Analyses of climate modeling sources revealed that under scenarios of higher and lower greenhouse gas emissions (Representative Concentration Pathway (RCP) 4.5 and RCP 8.5), INL anticipates an increase in climate hazards, including drought, heat waves, wildfire, and precipitation. Increased frequency and duration of climatic hazards forecasts high impacts on certain mission-critical asset and infrastructure types. Utilizing the VARP Risk Assessment Tool, projected high climate hazard impacts across multiple asset and infrastructure types at the INL include energy generation and distribution systems, Site buildings, specialized or mission-critical equipment, and transportation and fleet infrastructure. Some of these mission-critical asset and infrastructure types maintain high adaptive capacity to climatic changes; however, others may need additional adaptive capacity to withstand increased frequency and duration of climate hazards. INL identified close to 300 resilient solutions that were consolidated into 11 solution categories to be tracked in the Department of Energy Sustainability Dashboard. The identified solutions are a starting point for future project development and analysis. These data are intended to inform decision makers on climate issues and potential solutions across INL and associated communities. The VARP is not intended to be a budget tool or project decision document on its own, but rather one of many tools used by decision makers to establish resilient priorities. This initial document provides the framework and foundation to resilient solutions. In the coming years, each solution needs to be fully developed, costed, and prioritized based on mission-critical risk and funding priorities.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Scaling Sustainable Biochar Research & Commercialization for Agriculture & Conservation: A Summary from a Stakeholder Convening

Biochar is a carbon-rich substance with the potential to increase soil carbon sequestration, reduce greenhouse gas (GHG) emissions and improve soil health. When used as part of soil health management systems, biochar can provide multiple synergistic benefits for the agricultural sector and society, while also supporting the production of renewable, climate-neutral biofuels. Establishing a pyrolysis biochar bioenergy industry (PBBI) is necessary to harness the environmental benefits of biochar. To galvanize the necessary coordination to support a PBBI, the Foundation for Food & Agriculture Research (FFAR), the National Center for Appropriate Technology (NCAT), and American Farmland Trust (AFT) co-hosted a virtual convening event on biochar research and commercialization in March 2022. Participants represented a diverse set of stakeholders, including biochar producers, agricultural producers, and members of nonprofit, industry and government agencies. This whitepaper offers a summary of the convening, as well as insights from subsequent stakeholder engagement. Sustainably sourced, fit-for-purpose biochar can be a powerful tool in the soil health management systems and climate-smart toolbox, with decades of research supporting the soil, environment, production, and climate benefits. However, because biochar represents a range of feedstocks, processes and products, there is a critical need to: • Coordinate efforts to characterize and test the application of biochar types across locations with diverse soil and management conditions • Address research and decision-support gaps • Support the growing industry These objectives can be addressed or advanced through a coordinated strategy. To support establishment of this strategy, the convening participants identified key gaps in implementation and research. The experiences of foresters, ranchers, and farmers already using biochar, some of whom participated in the convening, helped inform priorities. Key gaps include: • Practical, applied on-farm research • Supporting management for agricultural productivity • Maximum benefits for conservation • Decision support • Life Cycle Assessment (LCA) • Quantification of climate mitigation potential Existing research gaps include: • Potential synergies among biochar, soil organic matter, and enhanced rock weathering • Development of new storage reservoirs for biochar in industrial products Convening participants further provided next steps for rapidly developing a PBBI to produce sustainable, fit-for-purpose biochars that increase soil health and mitigate climate change. Participants also stressed the need for actionable, coordinated, large-scale research relevant to commercial production in the next five years. To have a chance to reduce greenhouse gas emissions, we need an array of tools that would aid in mitigation; a coordinated strategy to enable biochar to be an effective tool in the climate-smart toolbox must be created; We cannot wait 50 years.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Investigating the role of adipose tissue in mobility and aging: design and methods of the Adipose Tissue ancillary to the Study of Muscle, Mobility, and Aging (SOMMA-AT)

Background Age-related changes in adipose tissue affect chronic medical diseases and mobility disability but mechanism remains poorly understood. The goal of this study is to define methods for phenotyping unique characteristics of adipose tissue from older adults. Methods Older adults enrolled in study of muscle, mobility, and aging selected for the adipose tissue ancillary (SOMMA-AT; N = 210, 52.38% women, 76.12 ± 4.37 years) were assessed for regional adiposity by whole-body magnetic resonance (AMRA) and underwent a needle-aspiration biopsy of abdominal subcutaneous adipose tissue (ASAT). ASAT biopsies were flash frozen, fixed, or processed for downstream applications and deposited at the biorepository. Biopsy yields, qualitative features, adipocyte sizes, and concentration of adipokines secreted in ASAT explant conditioned media were measured. Inter-measure Spearman correlations were determined. Results Regional, but not total, adiposity differed by sex: women had greater ASAT mass (8.20 ± 2.73 kg, p < .001) and biopsy yield (3.44 ± 1.81 g, p < .001) than men (ASAT = 5.95 ± 2.30 kg, biopsy = 2.30 ± 1.40 g). ASAT mass correlated with leptin (r = 0.54, p < .001) and not resistin (p = .248) and adiponectin (p = .353). Adipocyte area correlated with ASAT mass (r = 0.34, p < .001), BMI (r = 0.33, p < .001), adiponectin (r = −0.22, p = .005) and leptin (r = 0.18, p = .024) but not with resistin (p = .490). Conclusion In addition to the detailed ASAT biopsy processing in this report, we found that adipocyte area correlated with ASAT mass, and both measures related to some key adipokines in the explant conditioned media. In conclusion, these results, methods, and biological repositories underscore the potential of this unique cohort to impact the understanding of aging adipose biology on disease, disability, and other aging tissues.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

Influence of the broadly neutralizing antibody VRC01 on HIV breakthrough virus populations in antibody-mediated prevention trials

In the antibody mediated prevention (AMP) trials, the broadly neutralizing antibody (bNAb) VRC01 demonstrated protective efficacy against susceptible HIV strains. To understand how VRC01 shaped breakthrough infections, deep sequencing was performed on 172 participants (>100,000 gag-Δpol and rev-env-Δnef sequences), at diagnosis and over time, in the placebo and treatment arms of the African (HVTN703/HPTN081; NCT02568215) and Americas/Europe (HVTN704/HPTN085; NCT02716675) cohorts. A high frequency of multilineage infections was detected (38%), including co-infection with both VRC01 sensitive and resistant viruses. This high frequency is largely accounted for by low-abundance lineages. Although VRC01 does not significantly affect the genetic transmission bottleneck compared to placebo, higher VRC01 doses trend towards greater VRC01 neutralization differences among co-infecting lineages. Two-thirds of multilineage infections showed evidence of recombination at the diagnostic timepoint. In the treatment group there is evidence of recombinant viruses preferentially inheriting resistance-associated mutations. This study provides critical insights into viral genetic and antigenic diversity that needs to be targeted to achieve protection, and highlights the role of recombination in facilitating escape.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

A topological superconductor tuned by electronic correlations

A topological superconductor, characterized by either a chiral order parameter or a topological surface state in proximity to bulk superconductivity, is foundational to topological quantum computing. A key open challenge is whether electron-electron interactions can tune such topological superconducting phases. Here, we provide experimental signatures of a unique topological superconducting phase in competition with electronic correlations in 10-unit-cell thick FeTe x Se 1-x films grown on SrTiO 3 substrates. When the Te content x exceeds 0.7, we observe a topological transition marked by the emergence of a superconducting surface state. Near the FeTe limit, the system undergoes another transition where the surface state disappears, and superconductivity is suppressed. Theory suggests that electron-electron interactions in the odd-parity xy− band drives this second topological transition. The flattening and eventual decoherence of d xy -derived bands track the superconducting dome, linking correlation effects directly to superconducting coherent transport. Our work establishes many-body electronic correlations as a sensitive knob for tuning topology and superconductivity, offering a pathway to engineer new topological phases in correlated materials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Biofluid-based staging of Alzheimer’s disease

Recently, conceptual systems for the in vivo staging of Alzheimer’s disease (AD) using fluid biomarkers have been suggested. Thus, it is important to assess whether available fluid biomarkers can successfully stage AD into clinically and biologically relevant categories. In the TRIAD cohort, we explored whether p-tau217, p-tau205 and NTA-tau (biomarkers of early, intermediate and late AD pathology, respectively) have potential for biofluid-based staging in cerebrospinal fluid (CSF; n = 219) and plasma (n = 150), and compared them in a paired CSF and plasma subset (n = 76). Our findings suggest a good concordance between biofluid staging and underlying pathology when classifying amyloid-positivity into three categories based on neurofibrillary pathology: minimal/non-existent (p-tau217 positive), early-to-intermediate (p-tau217 and p-tau205 positivity), and advanced tau tangle deposition (p-tau217, p-tau205 and NTA-tau positive), as indexed by tau-PET. Discordant cases accounted for 4.6% and 13.3% of all CSF and plasma measurements respectively (9.2% and 11.8% in paired samples). Notably, CSF- and plasma-based staging matched one another in 61.7% of the cases, while approximately 32% of the remaining participants were one to three biofluid stages higher in CSF as compared to plasma. Overall, these exploratory results suggest that biofluid staging of AD holds potential for offering valuable insights into underlying AD hallmarks and disease severity. However, its applicability beyond molecular characterization at research settings has yet to be demonstrated.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

The Dark Energy Bedrock All-sky Supernova Program: Cross Calibration, Simulations, and Cosmology Forecasts

Type Ia supernovae (SNe Ia) have been essential for probing the nature of dark energy; however, most SN analyses rely on the same low-redshift sample, which may lead to shared systematics. In a companion paper, we introduce the Dark Energy Bedrock All-Sky Supernova (DEBASS) program, which has already collected more than 500 low-redshift SNe Ia on the Dark Energy Camera, and present an initial release of 77 SNe Ia within the Dark Energy Survey (DES) footprint observed between 2021 and 2024. Here, we examine the systematics, including photometric calibration and selection effects. We find agreement at the 10 mmag level among the tertiary standard stars of DEBASS, DES, and Pan-STARRS1. Our simulations reproduce the observed distributions of DEBASS SN light-curve properties, and we measure a bias-corrected Hubble residual scatter of 0.08 mag, which, while small, is found in 10% of our simulations. We compare the DEBASS SN distances to the Foundation sample and find consistency with a median residual offset of 0.016 ± 0.019 mag. Selection effects have negligible impacts on distances, but a different photometric calibration solution shifts the median residual −0.015 ± 0.019 mag, highlighting calibration sensitivity. Using conservative simulations, we forecast that replacing historical low-redshift samples with the full DEBASS sample will improve the statistical uncertainties on dark energy parameters w 0 and w a by 30% and 24%, respectively, enhance the dark energy Figure of Merit by up to 60%, and enable a measurement of fσ 8 at the 25% level.

Acevedo, Maria [Duke Univ., Durham, NC (United Sta↗

DOE OSTI2025

MPEX AI Digital Twins

All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Roadmap for Photonics with 2D Materials

Triggered by advances in atomic-layer exfoliation and growth techniques, along with the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or a few atomic layers, two-dimensional (2D) materials such as graphene, transition metal dichalcogenides (TMDs), and other van der Waals (vdW) crystals now constitute a broad research field expanding in multiple directions through the combination of layer stacking and twisting, nanofabrication, surface-science methods, and integration into nanostructured environments. Photonics encompasses a multidisciplinary subset of those directions, where 2D materials contribute remarkable nonlinearities, long-lived and ultraconfined polaritons, strong excitons, topological and chiral effects, susceptibility to external stimuli, accessibility, robustness, and a completely new range of photonic materials based on layer stacking, gating, and the formation of moiré patterns. These properties are being leveraged to develop applications in electro-optical modulation, light emission and detection, imaging and metasurfaces, integrated optics, sensing, and quantum physics across a broad spectral range extending from the far-infrared to the ultraviolet, as well as enabling hybridization with spin and momentum textures of electronic band structures and magnetic degrees of freedom. The rapid expansion of photonics with 2D materials as a dynamic research arena is yielding breakthroughs, which this Roadmap summarizes while identifying challenges and opportunities for future goals and how to meet them through a wide collection of topical sections prepared by leading practitioners.

2D materials↗

DOE OSTI2020

Sensitive Resources Assessment and Forest Analysis for the Proposed Versatile Test Reactor, Oak Ridge, Tennessee

The US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre (~13,000-ha) Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park (NERP) and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education also represent potential effects of federal actions on the NERP, and impacts on, e.g., deer harvest, must be considered on the Oak Ridge Wildlife Management Area when other aspects of the human environment are affected. The United States currently has no fast neutron testing capability to support advanced nuclear research and development. The proposed Versatile Test Reactor (VTR) will take advantage of current investments by the US government and private industry in nuclear reactors to expedite the design and construction process, using proven technology to create a world-class scientific infrastructure. The VTR will take advantage of fast neutrons provided by this proven technology, along with a capability to rapidly insert, conduct, and remove state-of-the-art experiments. An advantage of the VTR is that it can support future innovations in experimental capabilities without modifying the facility. The VTR will support progress in a variety of science and technology areas, including testing and qualification of advanced reactor fuels; testing and qualification of innovative structural materials; testing of innovative components and instruments; validation of advanced modeling and simulation tools; and versatility for future technical missions. Through proven technology, the VTR can take advantage of existing reactor designs and operating experience to reduce the risk, cost, and time for design and construction. The top available resources of DOE laboratories, industry, and universities will be used to expedite reactor design and construction toward developing the scientific infrastructure that affords a strong testing capability that can be sustained over many years. This report summarizes current knowledge of natural and cultural resources primarily within the VTR construction area. At the time of this report, the proposed VTR site design includes a construction area of ~150.4 acres (~69.9 ha), which contains an ~51.3-acre (~20.8-ha) operations area, located within forested natural areas of the ORR. The primary goal of the work presented here was to evaluate potential effects on sensitive resources that might result from development and construction activities associated with VTR. In addition to on-the-ground surveys during spring and summer 2020 by the ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled from a 2011 forest inventory and supplemented with limited ground observations in 2020. The individuals who obtained and compiled the data presented here are familiar with and routinely assess sensitive resources on the ORR. Anyone who references this report must consider that the timing of surveys did not permit a complete delineation of the resources that will be affected. If the VTR project proceeds, additional surveys will be required to account for the seasonal patterns of various threatened and endangered species. Data deficiencies and potential resources that likely went undetected are indicated where possible. Accordingly, this report should facilitate more environmentally sound decisions during planning and 2 development of the VTR site, provide a foundation for further assessment of sensitive and cultural resources, and help project managers better address regulatory guidance and DOE policies on sustainable development in compliance with, for example, the US Endangered Species Act (ESA), Migratory Bird Treaty Act (MBTA), Tennessee Rare Plant Protection and Conservation Act of 1985, Tennessee Nongame and Endangered or Threatened Wildlife Species Conservation Act of 1974, several federal and state regulations regarding aquatic resource protection, and site-specific policies as outlined in various ORR management plans developed by ORNL and TWRA for DOE.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Ecovoltaic solar energy development can promote grassland bird communities

Ecologically informed photovoltaic (PV) developments that co-prioritize PV electricity generation with ecosystem function (‘ecovoltaics’) have emerged as a promising land sharing strategy to minimize ecological conflicts associated with PV solar energy development. While habitat-focused ecovoltaic designs can conceptually benefit biodiversity by offsetting or enhancing impacts of PV development, foundational field research is needed to examine how wildlife respond to these novel ecosystems. We conducted passive acoustic monitoring (PAM) in 2023 and 2024 at 13 solar facilities and paired control sites to investigate avian community responses to ecovoltaic facilities in the Midwestern United States. Compared to control sites (row crop agricultural fields), we found that ecovoltaic sites supported more grassland bird species throughout a 17-week monitoring period between May and September. Grassland bird communities on ecovoltaic sites were also more stable than on agricultural controls, as measured by the Jaccard dissimilarity index. We also used PAM-based weekly species occurrences in an occupancy-modelling framework to investigate the influence of PV development and other landscape variables on grassland bird occupancy. 10 out of 13 modelled grassland bird species had greater predicted occupancy probabilities (ψ) on PV sites than control sites. Synthesis and applications. Our findings suggest that properly sited and developed ecovoltaic solar facilities in human altered landscapes can improve habitat for birds and other wildlife, but further research is needed to understand which species may benefit most from these novel ecosystems.

14 SOLAR ENERGY↗

DOE OSTI2025

Chemical Control of Symmetry and Bandgap in Tungsten Oxyhalide van der Waals Semiconductors

Tunability in solid-state materials is essential for testing theory, discovering quantum phases, and enabling functionality. Layered van der Waals (vdW) semiconductors offer a unique platform, providing new degrees of freedom at the two-dimensional (2D) limit through exfoliation and external controls. Here, in this study, we demonstrate tunability of symmetry and electronic structure via halogen substitution in a family of layered vdW tungsten oxyhalides. Substituting the halogens in WO 2 X 2 (X = I, Br, Cl) tunes the bandgap across a broad energy range and modifies the structural symmetry from centrosymmetric to noncentrosymmetric. By alloying WO 2 I 2– y Br y , we continuously tune the polar distortion and optical gap across the visible range. These insights into halogen substitution effects on symmetry and electronic structure lay the foundation for new tunable vdW semiconductors for optoelectronics and nonlinear optics.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Urban weather modeling using WRF: linking physical assumptions, code implementation, and observational needs

The Weather Research and Forecasting (WRF) model includes urban schemes that simulate the influence of urban surfaces on the atmosphere using parameterizations for flux, and radiative exchanges. Three core schemes – the Bulk urban parameterization, Single-Layer Urban Canopy Model (SLUCM), and Multi-Layer Urban Canopy Model (MLUCM) – represent increasing levels of complexity. Although the parameterizations within these urban schemes are described in the literature, their specific implementation remains poorly documented, thus slowing down model development efforts. This manuscript provides a roadmap to the three urban schemes in WRF version 4.5.2, presenting equations using the same symbols as in the model code, along with references to code lines, and including graphics and explanations that connect the code to its physical foundations. Our thorough review of the urban parameterizations implemented in WRF version 4.5.2 highlighted a handful of parameters that may introduce discontinuities in simulations: (i) in the SLUCM, a 1 mm h −1 rain rate threshold is employed to switch between two minimum moisture availability parameterizations, thus impacting latent heat flux calculations; (ii) in the SLUCM a threshold is used to partition shortwave radiation into direct and diffuse components; (iii) in all three urban schemes, the bulk Richardson number is employed to select the similarity function, which influences the vertical distribution of heat and momentum. We also identified a highly simplified treatment of the radiative balance on roof surfaces. The implications of these simplifications can be assessed through targeted observations across relevant conditions, including varying precipitation rates, cloud cover, and transitions between stability regimes. Furthermore, the widespread application of the Monin-Obukhov similarity theory in these urban schemes warrants model evaluation under highly stable and unstable conditions and in heterogeneous urban settings with variable land cover and building heights on scales finer than model resolution. To address these challenges, we offer guidance on observational strategies, emphasizing the need for multi-parametric measurements to capture potential compensating biases and multi-height measurements that align with the levels where quantities are diagnostic and prognosed in the model (i.e., the lowest atmospheric level of the WRF model). Finally, our inspection of the code revealed implementation bugs that have now been corrected in WRF versions 4.6.0 and 4.6.1. Sensitivity tests over the Atlanta urban area show that these corrections affect surface temperatures, underscoring the importance of performing rigorous documentation and verification of the implementation of parameterizations in model code.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Integrated Risk-Informed Condition Based Maintenance Capability and Automated Platform: Technical Report 3

This project is a collaborative research effort between PKMJ Technical Services LLC, Idaho National Laboratory, and Public Service Enterprise Group (PSEG) Nuclear, LLC. The collaboration, led by PKMJ Technical Services LLC, is part of the industry Funding Opportunity Announcement (FOA) award under Advanced Nuclear Technology Development FOA #DE-FOA-0001817. The pilot demonstration focuses on the Circulating Water System (CWS), an important non-safety-related system that impacts the power generation capability of the plant site. Achieving riskinformed condition-based Predictive Maintenance (PdM) on the CWS will result in significant economic benefits, and the developed methodologies can also be applied to other plant systems. This approach supports an industry goal of ensuring that nuclear power generation remains a viable, economically competitive option in the energy market. Operation and Maintenance (O&M) costs include labor-intensive Preventive Maintenance (PM) programs that involve manually performed inspection, calibration, testing, and maintenance of plant assets at periodic frequencies as well as time-based replacement of assets, irrespective of condition. This project offers an alternative by focusing on riskinformed condition-based maintenance to reduce O&M costs while still maintaining plant health and safety. This report summarizes the progress made toward achieving a risk-informed condition-based maintenance approach. The research and development (R&D) activities presented in this report are associated with development of a nuclear digital platform application, integration of fault signature models, and automated work management processes. The fault signatures and Machine Learning (ML) models are key components in predictive analytics and are heavily leveraged to improve the insights received by existing plant process data sources. Availability of the analysis results within a centralized digital platform enhances efficiency by enabling automation of activities otherwise performed manually. Personnel are presented with enhanced information that can be used to evaluate plant status and risks. Utilizing the enhancements to data analytics supports automated responses, (i.e. issuance of work orders) to address developing equipment faults and thus preventing forced, unplanned shutdowns of components or systems. The R&D activities described within this report lay the foundation for developing and demonstrating a digital automated platform to centralize the implementation of condition monitoring and response to equipment faults. The digital automated platform is cloud-based and designed to enable improved efficiency of plant processes. The digital platform includes content related to maintenance optimization, fault signature analysis, and plant records, which can all be used to support efficiencies when located within a centralized digital platform. These efficiencies could be further enhanced when deployed through industry-wide deployment of the technology to improve insights and processes based upon economies of scale.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Invariant discovery of features across multiple length scales: Applications in microscopy and autonomous materials characterization

Physical imaging is a foundational characterization method in areas from condensed matter physics and chemistry to astronomy and spans length scales from atomic to universe. Images encapsulate crucial data regarding atomic bonding, materials microstructures, and dynamic phenomena such as microstructural evolution and turbulence, among other phenomena. The challenge lies in effectively extracting and interpreting this information. Variational Autoencoders (VAEs) have emerged as powerful tools for identifying the underlying factors of variation in image data, providing a systematic approach to distilling meaningful patterns from complex data sets. However, a significant hurdle in their application is the definition and selection of appropriate descriptors reflecting local structures. Here, we introduce the scale-invariant VAE approach (SI-VAE) based on the progressive training of the VAE with the descriptors sampled at different length scales. The SI-VAE allows the discovery of the length scale-dependent factors of variation in the system. Here, we illustrate this approach using the ferroelectric domain images and generalize it to the movies of the electron-beam induced phenomena in graphene and topography evolution across combinatorial libraries. This approach can further be used to initialize the decision making in automated experiments including structure–property discovery and can be applied across a broad range of imaging methods. This approach is universal and can be applied to any spatially resolved data including both experimental imaging studies and simulations, and can be particularly useful for exploration of phenomena such as turbulence and scale-invariant transformation fronts.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Reaction Mechanism of Electrodeposited ε-MnO 2 : A Proton-Centered Pathway in Aqueous Zn-Ion Systems

Aqueous Zn/MnO 2 batteries have garnered significant interests owing to their abundance, high theoretical specific capacity, safety, and low cost. However, large-scale application of these systems is limited by the incomplete understanding of the MnO 2 reaction chemistry. The different crystal lattice structures among MnO 2 polymorphs contribute to the variations in reported reaction mechanisms. Among them, ε-MnO 2 polymorph, the dominant phase in electrolytic manganese dioxide (EMD), is notably observed during the charge cycles of aqueous Zn/MnO 2 batteries. Here, in this work, we investigate the electrochemical behavior of an ε-MnO 2 cathode synthesized via electrodeposition from a ZnSO 4 and MnSO 4 electrolyte, onto a 3-dimensional carbon cloth substrate. Proton intercalation emerges as the dominant charge storage mechanism, critically enabling the reversibility of ε-MnO 2 during cycling, as revealed by operando synchrotron X-ray diffraction and X-ray absorption spectroscopy. Additionally, a proton-coupled dissolution/redeposition pathway operates alongside minor Zn 2+ intercalation, as quantified by Rietveld refinement. Morphological and chemical heterogeneities are studied by transmission X-ray microscopy further validates this reaction mechanism. These mechanistic insights provide the foundation for rationally designing Zn/MnO 2 batteries with optimized proton dynamics and charge transfer, advancing these systems as a viable solution for safe, cost-effective grid-scale energy storage.

36 MATERIALS SCIENCE↗