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DOE OSTI2026

Enabling probabilistic learning on manifolds through double diffusion maps

Here, we present a generative learning framework for probabilistic sampling that extends Probabilistic Learning on Manifolds (PLoM), which is designed to generate statistically consistent realizations of a random vector in a finite-dimensional Euclidean space, informed by a (representative) set of observations. In its original form, PLoM constructs a reduced-order probabilistic model by combining three main components: (a) kernel density estimation to approximate the underlying probability measure, (b) Diffusion Maps to characterize the manifold of the data, and (c) a reduced-order Itô Stochastic Differential Equation (ISDE) to sample from the learned distribution. However, its sampling dynamics are posed in the ambient space and the retained number of reduced coordinates is chosen by projection-reconstruction error. In practice, this often (i) requires more coordinates than the data’s intrinsic dimension to achieve stable sampling and (ii) lacks a smooth, basis-independent lifting back to the data domain; moreover, standard Diffusion Maps emphasize harmonic eigenfunctions and can miss non-harmonic latent structure. We address these limitations by decoupling geometry learning from sampling: a first Diffusion Maps pass identifies non-harmonic coordinates on which we formulate a full-order ISDE directly in the latent space, while Double Diffusion Maps captures multiscale geometric features and Geometric Harmonics (GH) learns a smooth lifting map to the ambient variables that is independent of the particular diffusion basis. This hybrid design preserves the system’s dynamical richness with a compact geometric representation and enables principled out-of-sample inference. The effectiveness and robustness of the proposed method are illustrated through two numerical studies: one based on data generated from two-dimensional Hermite polynomial functions and another based on high-fidelity simulations of a detonation wave in a reactive flow.

Double diffusion maps↗

DOE OSTI2024

SBND In 10 Minutes

The Short-Baseline Near Detector (SBND) is one of three Liquid Argon Time Projection Chamber (LArTPC) neutrino detectors positioned along the axis of the Booster Neutrino Beam (BNB) at Fermilab, as part of the Short-Baseline Neutrino (SBN) Program. The detector is currently being commissioned and is expected to take neutrino data this year. SBND is characterized by superb imaging capabilities and will record over a million neutrino interactions per year. Thanks to its unique combination of measurement resolution and statistics, SBND will carry out a rich program of neutrino interaction measurements and novel searches for physics beyond the Standard Model (BSM). It will enable the potential of the overall SBN sterile neutrino program by performing a precise characterization of the unoscillated event rate, and constraining BNB flux and neutrino-argon cross-section systematic uncertainties. In this talk, the physics reach, current status, and future prospects of SBND are discussed.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Characterizing falling particle curtain receivers at commercially relevant scales: Research Performance Progress Report (RPPR-1)

Sandia will construct a cold flow receiver test platform in order to characterize falling particle curtain receivers at commercially relevant scales. While Sandia has extensive experience in R&D of falling particle curtain receivers, most have been at pilot scale and smaller - on the order of 1 MW th with characteristic dimensions of nominally 1-2 m to adequately collect solar energy from the heliostat field at the National Solar Thermal Test Facility (NSTTF). However, scaling up receivers to commercially relevant scales (25 MW th and above) will require a thorough understanding of particle curtain dynamics at larger scales, especially longer drop heights, for design certainty. The goal of this project will be to construct a cold falling particle curtain test rig capable of simulating particle characteristics that are expected in a commercial scale CSP plant, namely the drop height, curtain thickness, and particle mass flow rate (normalized by length of curtain). This will enable data collection on curtain opacity and spread, both of which are correlated to receiver efficiency and reliable construction, for commercially relevant scales. It will also permit validation of numerical models that will enable detailed receiver characterization and design past currently validated scales.

14 SOLAR ENERGY↗

DOE OSTI2024

MSD CoP Webinar: AI and Extreme Events - Overcoming Data Challenges for Improved Characterization of Climate Extremes

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: Artificial Intelligence (AI) models require large volumes of data for training and testing. Data requirements present challenges for using AI to explore extreme events with limited observational data. This webinar will showcase two innovative methods developed by part of the European Climate Intelligence (CLINT) project to overcome data challenges and harness AI to improve our understanding of climate extremes. Dr. Ascenso will present his research on data augmentation methods to improve estimates of tropical cyclones using satellite data. His presentation will review established methods for data augmentation and explore opportunities and challenges for using generative AI to generate images of extreme, life-threatening tropical cyclones. Next, Dr. Plesiat will present his research on deep learning techniques to overcome limited observational data sets. His presentation will illustrate deep learning methods to develop AI reconstructions of four climate indices across Europe. Presenters : Dr. Guido Ascenso (post-doctoral researcher, Politecnico di Milano); Dr. Étienne Plésiat (German Climate Computing Centre - DKRZ) Moderator(s): Stefano Galelli (MSD CoP WG Co-Lead), David Gold (MSD CoP WG Co-Lead), Jillian Sturtevant (MSD CoP WG Communications Officer), Matteo Giuliani (Politecnico di Milano, MSD CoP WG Member, Moderator and Organizer) This webinar was held on: October 11, 2024 from 11AM - 1PM ET

AI↗

DOE OSTI2025

Characterizing Al quasiparticle diffusion using a positionable laser (Final Technical Report)

This Career Award accomplished most of its goals, in demonstrating for the first time a low- threshold nuclear recoil detector based on the quantum evaporation of helium-4. Through this work, we trained several PhD students and evolved this niche R&D topic into a central pillar of the DOE-funded TESSERACT project, which now plans to take underground helium data in 2028.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Characterizing in-stream turbulent flow for tidal energy converter siting in Cook Inlet, Alaska

Cook Inlet in Alaska is the most promising location for tidal energy development in the U.S. due to its significant tidal range of approximately 10 meters and high volume flux. The inlet's unique geometry and flow characteristics make it the most energetic tidal stream in the nation, with GW-scale potential energy capacity. With the growing interest in tidal energy converter (TEC) deployment in this area, we implemented a regional-scale, 3D hydrodynamic modeling framework to predict tidal current and turbulence characteristics that can assist TEC designers and project managers. We validated the model results extensively using various datasets collected with bottom-mounted acoustic Doppler current profilers and velocimeters. The comparison between the model outputs and observational data highlighted the effectiveness of the 3D FVCOM model and the Mellor-Yamada Level 2.5 Turbulence Model in accurately assessing macro-scale kinetic energy, turbulence intensity, and the production and dissipation rates at a prospective TEC site. Using two months of model simulation data, we examined the channel cross-section for TEC deployment, focusing on undisturbed power density and macro-scale turbulent properties. Further, our findings indicate that understanding the turbulence characteristics and flow properties can enhance Stage I/II resource characterization by identifying optimal locations for TECs and their layouts within the channel. Furthermore, we demonstrated that TEC designers can utilize macro-scale turbulence data from 3D coastal models as boundary conditions for other turbulence models, allowing for a more detailed resolution of the turbulence structure at TEC siting locations. Ultimately, this work emphasizes the importance of estimating flow and turbulence conditions in energetic systems to understand turbulent sites better and improve resource characterization.

16 TIDAL AND WAVE POWER↗

DOE OSTI2026

Neutrino-Argon Cross Sections in MicroBooNE: Measurements Spanning Multiple Interaction Channels, Final States, and Neutrino Fluxes

Neutrinos are one of the most elusive particles in the Standard Model of particle physics due to their tiny interaction cross section, which makes them challenging to detect and study. There are three known flavors of neutrinos, and any given neutrino probabilistically oscillates between them as a function of the particle's energy and propagation distance. Experimental characterization of these oscillations elucidates fundamental properties of the neutrino and the Standard Model. Meeting the precision goals of ongoing and future oscillation measurements requires detailed modeling of the way neutrinos interact with nuclear matter. Precision modeling of these interactions is a challenging theoretical problem, rich with intricate physics effects to explore, and requires input from equally precise measurements of neutrino-nucleus interaction cross sections spanning a broad range of scattering channels. To fill this need, there is an ongoing multi-experiment effort to measure these cross sections across energies, interaction channels, and nuclear targets. This thesis describes three analyses reporting neutrino-argon cross section measurements with data from the MicroBooNE liquid argon time projection chamber detector. These span multiple interaction channels, final state topologies, and neutrino fluxes. The first analysis is a set of inclusive charged current muon neutrino cross section measurements for final states with and without protons, which provides a unique view of the hadronic final state produced in these interactions. Second is a set of cross section measurements for neutral current neutral pion production, which provides a vital dataset on this under-characterized channel. Third is significant progress on measuring neutrinos produced by kaons decaying at rest, which represents a unique opportunity to measure cross sections with a mono-energetic flux of neutrinos. These measurements are accompanied by a modeling study in the GiBUU theory framework, which probes the sensitivity of the muon neutrino and pion production measurements to the modeling of nucleon-nucleon final state interactions in neutrino-nucleus scattering.

Bogart, Benjamin [Michigan U.]↗

DOE OSTI2026

Direct Ink Write and Processing of Complex 3D Marine Compatible Structures with Calcium Carbonate Slurries

Ocean acidification heavily impacts marine ecosystems by reducing calcification. Many coral-algae symbiotic relationships are in jeopardy due to the destruction of coral reefs. Here, a ceramic ink compatible with the direct ink write additive manufacturing technique was formulated and used to print marine compatible structures that could grow algae and restore that relationship. A diacrylate polymer was mixed with calcium carbonate, a material that comprises a coral skeleton, to create a slurry with shear thinning properties. Rheology studies were conducted to confirm printing properties and characterize the slurry. Printed parts demonstrated strong control over print features, including size and infill design. Various infill patterns and percentages were attempted to optimize printability and potential algae growth. Thermogravimetric analysis helped determine a logical burnout and sintering procedure to avoid large cracking. This project developed a printable and sinter-able calcium carbonate ceramic slurry for complex marine-compatible structures and algae growth. This research was conducted in the support of the Eco Reef project.

36 MATERIALS SCIENCE↗

DOE OSTI2025

dynamics of organic-mineral interactions at the metal oxide-solution interface as studied via binding energetics (Final report)

This project focused on addressing longstanding fundamental and experimental uncertainties on how dissolved organic substances (DOS) interact with metal oxide surface under environmentally relevant conditions. By leveraging a custom-built real-time, in-tandem flow adsorption microcalorimetry-UV-Vis/fluorescence spectroscopy platform, we characterized the binding energetics, kinetics and mechanistic pathways driving DOS-metal oxide interactions at temporal resolution on the order of 1-5 seconds. We studied a diverse suite of model organic compounds/substances – including monocarboxylates (e.g. acetate and benzoate), di-carboxylates (oxalate and succinate), amino acids, amino-based nanparticles and natural organic matter – interacting at the mineral-water interface of structurally- and/or chemically distinct metal oxides (including SiO2, boehmite, ferrihydrite, and γ-Al2O3). Our results indicated that DOS-metal oxide interactions are governed by multi-step reaction pathways, often switching between distinct, resolvable enthalpy- and entropy-driven non-electrostatic or electrostatic configurations. To quantify these interactions, we developed and implemented an analytical workflow that integrates peak deconvolution and Monte-Carlo based error propagation to determine site-specific thermodynamic and kinetic parameters for individual binding/debinding events. In addition to resolving apparent first-order rate constants of each event, we were able to quantify associated apparent equilibrium constants as well as free energy, enthalpy and entropy contribution to the activation and subsequent progression of the binding/debinding process across compounds, compound class and metal oxide surfaces. The kinetic-thermodynamic data produced in this study captured how the interplay between oxide surface reactivity and DOS molecular structure jointly drives binding-debinding dynamics. Notably, that at pH below PZC of the oxide surface, neutral species were heavily involved in monocarboxylate binding, while anionic species drove dicarboxylate binding. Also, that among amino acids 1) positional isomers show distinctive binding characteristics to each other while enantiomers show no significant differences in binding characteristics, 2) molecules that bind via outer-sphere complexation show a larger entropic shift between binding and debinding with no impact on oxide surface while 3) inner-sphere interactions increased anion exchange capacity of the oxide surface. The new insights and data from this work has great potential for improving predictive modeling of carbon dynamics and specifically organic-mineral interactions in environmental and industrial systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Status of the Short-Baseline Near Detector at Fermilab

The Short-Baseline Near Detector (SBND) is one of the Liquid Argon Time Projection Chamber (LArTPC) neutrino detectors positioned along the axis of the Booster Neutrino Beam (BNB) at Fermilab, and is the near detector in the Short-Baseline Neutrino (SBN) Program. The detector completed commissioning and began taking neutrino data in the summer of 2024. SBND is characterized by superb imaging capabilities and will record around 2 million neutrino interactions per year. Thanks to its unique combination of measurement resolution and statistics, SBND will soon carry out a rich program of neutrino interaction measurements and novel searches for physics beyond the Standard Model (BSM). As the near detector, it will enable the full potential of the SBN sterile neutrino program by performing a precise characterization of the unoscillated event rate and constraining BNB flux and neutrino-argon cross-section systematic uncertainties. In this talk, the physics reach, current status, and future prospects of SBND are discussed.

Paton, Josephine [Fermilab]↗

DOE OSTI2025

Toward SBND's First Cross Section Measurements

The Short-Baseline Near Detector (SBND) is one of the Liquid Argon Time Projection Chamber (LArTPC) neutrino detectors positioned along the axis of the Booster Neutrino Beam (BNB) at Fermilab, and is the near detector in the Short-Baseline Neutrino (SBN) Program. The detector completed commissioning and began taking neutrino data in the summer of 2024. SBND is characterized by superb imaging capabilities and recorded over two million neutrino interactions during its first physics run, which concluded in July 2025. Thanks to its unique combination of measurement resolution and statistics, SBND is carrying out a rich program of neutrino interaction measurements and novel searches for physics beyond the Standard Model (BSM). As the near detector, it will enable the full potential of the SBN sterile neutrino program by performing a precise characterization of the unoscillated event rate and constraining BNB flux and neutrino-argon cross-section systematic uncertainties. In addition, SBND will provide valuable model constraints for DUNE by leveraging the significant overlap in phase space between neutrino interactions in the two experiments. In this talk, I will present the current efforts within the SBND cross section program, discuss their status, and outline the plans for the first physics publications.

Oh, Sungbin [Fermilab]↗

DOE OSTI2026

High-Efficiency Solar-To-Fuel Photoelectrochemistry in Disordered Photonic Glass Electrodes (Final Technical Report)

This project investigated how photonic glass (PG) photoelectrodes—disordered arrangements of dielectric scatterers—can serve as scalable, tunable platforms for light trapping in photoelectrochemical (PEC) solar-to-fuel systems. By leveraging disorder-driven optical phenomena such as multiple scattering resonances and light localization, PG structures offer an alternative to conventional photonic crystals and inverse opals that require high structural precision. The scientific goals were to twofold: (1) develop approaches to predictive models for high performance PG electrodes based on light absorption simulations, and (2) fabricate, characterize, and optimize PG-based photoelectrodes for solar-to-hydrogen and solar-to-fuel photoelectrochemical applications. To overcome the complexity of ensemble optical simulations for disordered materials, the researchers developed a machine-learning-accelerated emulation of all configurations in the design space. With this approach, PG photoelectrodes based on a TiO2 semiconductor were designed to enhance PEC currents of up to one hundred times higher than the equivalent ultra-thin film photoanodes and several times higher than the equivalent photonic crystal. The research also explored integrated systems for electrochemical hydrogen production based on replacing water oxidation with the specific glycerol oxidation electrocatalysis. Overall, the project outlined an approach to a simple-to-fabricate photoelectrode system to drive photoelectrochemical reactions relevant to solar photochemical energy conversion.

14 SOLAR ENERGY↗

DOE OSTI2025

Tailoring composition and deformation modes at the microstructural level for next generation low-cost high-strength austenitic stainless steels

The objective of this project is to enable deliberate development of cost-effective, hydrogen resistant alloys by establishing detailed relationships specific to the effects of alloy composition, short-range order (SRO), and microsegregation in the presence of hydrogen on the transition between homogeneous deformation and localized plasticity in shear bands. In collaboration with the International Institute for Carbon-Neutral Energy Research, I2CNER, at Kyushu University in Japan, we conceptualized, designed, and manufactured four austenitic alloys that maintain corrosion resistance and ensure lower cost relative to baseline commercial alloys. The mechanical properties and deformation modes of the novel alloys (KU alloys) were assessed in the presence of hydrogen (H). Correlations between composition and performance revealed that two of the KU alloys are suitable replacements for 316 steel, while another is a viable replacement for 304 steel at room temperature. We found that, in the presence of other austenite stabilizing elements namely Mn and N, replacing Ni with Cu does not lead to martensite formation as has been previously reported.1–3 Furthermore, we found that the addition of Cu leads to an earlier onset of multiple slip resulting in an relative earlier onset of a higher work hardening rate (WHR). Greater understanding of the relationships between alloy composition and SRO required the development of a novel advanced electron diffraction methodology to characterize SRO in complex FCC alloys. This innovative approach, which combines fluctuation and correlation analyses of diffuse-scattering signals, successfully differentiated between SRO and long-range ordering (LRO). Further investigations into annealed austenitic stainless steels could provide insights into manipulating SRO and its effects on material properties. Atomistic simulations provided understanding of SRO behavior that was difficult to capture experimentally. This project created the first spin cluster expansion model that is able to capture and describe SRO effects in Fe-Ni-Cr FCC alloys, accounting for the non-negligible effects of magnetism. An automated computational workflow was established to provide reliable predictions of SRO in Fe-Ni-Cr austenitic alloys, both with and without the presence of H atoms. Analysis of the propensity for SRO in Fe-Ni-Cr alloys revealed that H tends to cluster with specific, well-defined SRO domains. The computational framework is general purpose and can be extended to realistic stainless steels across diverse composition ranges. With confidence that SRO is possible in austenitic stainless steels, we developed a discrete dislocation finite element code to understand the interaction of dislocations with SRO in the presence of H. By incorporating H effects on the dislocation emission and SRO stress field we show that the critical stress for the dislocation pileup to breakthrough the SRO domain decreases in the presence of H, which directly contributes localized deformation at the macroscale. Through the simulation of a uniaxial tension test, we demonstrated that H-induced weakening of SRO stress field and H-enhanced dislocation emission can lead to the onset of shear localization at lower macroscopic strains. As a whole, this project identified three novel alloys that show improvements in performance and cost efficiency for H-facing applications by studying correlations between alloy chemistry and deformation behavior. We also made significant advancements to experimental and computational methodologies necessary to study the chemistry and distribution of SRO across a range of alloys, which in turn allowed us to demonstrate how deformation mechanisms change due to the contributions of SRO in austenitic alloys in the presence of H. The combined advancements in fundamental understanding with novel alloy development in this project has increased the viability of next generation H-technologies for the broader public through accessible low-cost alloys and accelerated development towards future H-infrastructure.

08 HYDROGEN↗

DOE OSTI2024

Low Power, Radiation Resilient Synchronous Edge Processing for Remote Monitoring

Next-generation space remote sensing systems may be equipped with imaging arrays that sense data at a rate that outstrips the processing capability of any computing hardware that can operate within a satellite’s power budget. This project developed novel convolutional and recurrent neural networks to detect and estimate point-like events amid clutter, and investigated their efficient and accurate implementation on analog in-memory computing systems that are 10-1000× more energy-efficient than digital processors. This project leveraged two memory devices at different levels of technological maturity: a large-scale analog computing prototype using commercial SONOS charge-trap memory, and electrochemical memory (ECRAM) with intrinsic radiation hardness. We experimentally demonstrated end-to-end analog processing of our neural networks on SONOS and characterized the radiation response of both SONOS and ECRAM. We advanced the state-of-the-art in ECRAM precision and reliability, and developed co-design methods to enable accurate long-term operation of SONOS analog accelerators in space radiation environments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

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

36 MATERIALS SCIENCE↗

DOE OSTI2025

Multimodal Ligand Non-Innocence for Reduction Catalysis (Final Technical Report)

The goal of this project was to develop multimodal ligand non-innocence in late transition metal complexes of aminophenolate ligands and to apply this ligand-centered reactivity to small-molecule reduction reactions relevant to energy-conversion chemistry. Specific aims were, 1) Prepare new coordination complexes of aminophenolate ligands and characterize them using a battery of structural, spectroscopic, and computational methods. 2) Benchmark the thermodynamics and kinetics of e - , H + , H • , and H - transfer reactivity to establish the baseline reactivity of new metal complexes containing aminophenolate ligands. 3) Apply new aminophenolate complexes to catalytic reduction reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Department of Transportation PHMSA Aerosol Spray Project: Phase-0

This report discusses the work conducted at Sandia National Laboratories during the preliminary phase (Phase-0) of the Department of Transportation (DOT) Pipeline and Hazardous Materials Safety Administration (PHMSA) project tasked to better understand what happens to a high-pressure liquid canister or vessel during a fire in which an accidental instantaneous release occurs. Phase 0 had two main objects: (1) to establish a methodology for the high temperature and pressure spray vessel release and (2) to characterize the spray droplet formation. For this test series, diagnostic equipment such as the Malvern Spraytec, high-speed photometric cameras, pencil gauges, and thermocouples were used. Additionally, the effect of surface tension on the particle size distribution was evaluated with 1-liter of distilled water and with the same including the addition of 0.5% soap/water mixture. Results from this effort indicated that the plume formed from the instantaneous release in all conditions primarily included two distinct particle size distributions including 217-312µm and 0.53µm on average. Soapy water formed a higher concentration of smaller mist (0.53µm) than distilled water, potentially due to decreased surface tension with the added surfactant. Though results showed good correlation to certain particle size distributions it is encouraged to conduct additional tests like this with a wider range of liquids with different properties, which could affect the overall particle size distribution when released.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗