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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Building a framework to genetically characterize “feather spots” and understand demographic impacts of solar energy sites on migratory bird populations

The lack of data on the impact of utility-scale solar facilities on avian species and populations adds to the cost of siting and operation. As much as 32 percent of the avian biological material (feathers and carcasses) recovered from solar facilities remain unidentified, because they often take the form of “feather spots”. Feather spots are remains of impacted animals that can be separated into two broad categories: 1) those remains that may be visually identified to a species, or 2) those that cannot be visually identified to a species due to degradation from the environment and/or scavenger activity (listed as “unknown”). Even when feather spots can be identified to species, they cannot be visually assigned to particular breeding populations. In some cases, it is unknown whether multiple feather spots represent single or multiple individuals. This project’s objectives were to: 1. Use a developed, genetic-based technique to identify and determine the species, population of origin, and number of individuals found in feather spots recovered from solar facilities. 2. Implement collected data and resulting analyses to develop a publicly accessible web-based decision-making tool that can be used by the solar industry, regulators and other stakeholders to inform siting, mitigation, and conservation management efforts. 3. Establish a not-for-profit fee-for-service center at UCLA to ensure collection and identification of feather spots continue after the project period of performance. During the Project Period, we proposed to establish a pipeline for collecting, transporting, and storing of avian biological material collected at solar facilities and the collection and identification of feather spots to species and individual. We proposed the development of a genetic-based framework that would recover viable DNA from feather spots, amplify this DNA (i.e., make millions of copies of the original DNA), and use it to match the resulting sequences to a national database of known species of birds. The result would be the identification of feathers spots that were previously unidentified, and the incorporation of these samples into a larger database that included all samples recovered from solar facilities. The resulting report (below) details the result of this work and its alignment with proposed activities. We proposed the use of the data collected to assess the comparative risk to specific species or populations of species from solar facilities. For some species, we have already identified genomic markers of specific breeding populations and developed “genoscapes,” maps of unique genetic variation across the full breeding range of a species. We used these (previously and newly developed) genoscapes to probabilistically link a feather spot to the specific breeding populations from which it originated (assignment probabilities range from 75%-100% depending on species and population groups). For those species without genoscapes, we developed a vulnerability and susceptibility estimate that determines the relative local and regional risk to populations that are in geographic proximity to solar facilities, using citizen science data (Breeding Bird Survey (BBS) and eBird). These two feather spot processing pipelines (see Figure 1 below) provide quantitative estimates as to the numbers of individuals from a given population of origin that are affected by solar facilities, and ultimately can reduce costs to the consumer by reducing the industry costs associated with mitigation and siting strategies for future solar energy development.

14 SOLAR ENERGY↗
DOE OSTI2025

Demonstrate new plasticity models for doped UO 2 that capture dislocation mechanisms

In light water reactors, fuel vendors are investigating the use of dopants to modify the properties of UO 2 pellets, with the goal of improving pellet-cladding mechanical interactions during operation. Dopants are expected to ‘soften’ the pellets; that is, the doped pellets have higher plastic deformation than conventional UO 2 . This leads to a reduction in the severity of mechanical pellet-cladding interactions, helping to reduce the hoop strain on the cladding. By minimizing the strain exerted by the pellet on the cladding, it is anticipated that cladding performance under accident conditions can be enhanced (i.e., lowering the risk of burst during a LOCA). Dopants such as chromium (Cr) promote grain growth during pellet fabrication, leading to larger grains; therefore, understanding the link between chemistry, microstructure and mechanical deformation (enhanced creep rates) behavior of UO 2 is critical to helping operators further substantiate the benefits of doping UO 2 . Historically, the nuclear energy industry has relied on empirical models to make assessments of performance. Compared to empirical models, mechanistic physics-based models provide benefits, such as, fewer data points for validation and better extrapolation where experimental data is scarce or non-existent. In this report, Bayesian inference techniques have been applied to a previously developed lower length-scale-informed diffusional creep model. The objective is to i) infer lower-length-scale parameter distributions from available experiment and then ii) determine the uncertainties in the measurable quantity (in this case creep rates) after propagating the inferred lower length scale parameter uncertainties. The approach requires many evaluations of the model, which becomes computationally insurmountable; therefore, a neural-network model is trained to data obtained by sampling the full model over the most important parameters. This neural-network is then used in the Bayesian inference approach to determine probability distributions in the parameter values that represent the uncertainty in the model given what is known from the experiments (posterior). A significant reduction compared to conservative initial (prior) uncertainties is achieved through inference against the experimental data, demonstrating the efficacy of this approach. Furthermore, by accounting for uncertainties in the experimental conditions and sample non-stoichiometry, it is possible to resolve apparent discrepancies in experimental measurements within a self-consistent grain boundary (Coble) creep model that is sensitive to chemistry. This work has been written up and submitted to Nuclear Technology for a special issue on accelerated fuel qualification (AFQ). This uncertainty quantification (UQ) work not only improves the diffusional model, while accounting for uncertainty, but also establishes a framework which can readily be applied to the mechanistic models of dislocation deformation developed in this study. The most likely values from the Bayesian analysis are incorporated into our UO 2 diffusional creep model and a lower length scale-informed irradiation UO 2 creep mechanistic model to generate a dataset. This dataset has been provided to our INL collaborators for training an artificial neural network surrogate model, which will be implemented in the BISON fuel performance code to assess how the results differ from those currently obtained using a fully empirical model and that of using the nominal (uncalibrated) atomic scale parameters in our mechanistic model. Plastic deformation (creep and glide) in UO 2 is a complex phenomenon, governed by multiple underlying processes such as local defect concentrations, applied stresses, and microstructural characteristics. Consequently, there is a need for a meso-scale model with polycrystalline resolution capable of extrapolating to large grain sizes applicable to doped UO 2 , where data is limited and the model can help bridge the knowledge gap. By integrating atomistic data into the polycrystal LApx code, it becomes possible to predict dislocation climb and glide plasticity that simple analytical models cannot accurately represent. The application of atomic-scale data within LApx demonstrated the importance of climb and glide mechanisms in reproducing high-stress UO 2 behavior. Behaviors such as this are crucial to capture and implement in BISON, as parts of the fuel pellet can reach temperatures where glide can occur before pellet cracking. This model which captures dislocation based mechanisms for UO 2 is then used to stand up the doped model accounting for larger grain sizes. It was found that larger grain sizes can lead to enhanced deformation rates in the glide regime, and therefore can help with the pellet cladding mechanical interaction. Therefore if the fuel pellet reaches conditions (stress/temperature) where glide is active, the enhanced creep rates for larger grains in the glide regime (doped UO 2 ) can help with pellet cladding mechanical interactions. Plastic deformation in UO 2 involves multiple mechanisms, including diffusional creep, dislocation climb, and glide. This milestone contains two parts: (1) UQ of a pre-existing lower length scale informed mechanistic diffusional creep model, and (2) development of a new LApx based model for dislocation-mediated creep mechanisms in UO 2 , with application to large-grain doped UO 2 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Accuracy Enhancement of Nuclear Power Plant Simulators Utilizing High Accuracy Simulation Predictions

More recently, reactor core simulators for core designs associated with commercial nuclear power plants that utilize what is believed to be higher fidelity models have been developed. Features such as neutronics models that utilize transport equation solvers with fine spatial meshes and many energy-groups, thermal-hydraulic models that utilize sub-channel solvers with fine spatial mesh and capable of treating a wide range of fluid conditions, and fuel-coolant chemistry interaction models capable of treating CRUD deposition are to be found in these higher fidelity core simulators. These reactor core simulators require access to higher performance computers, characterized by many processors, cores and large memory. So associated with utilization of these simulators is access to high performance computers and ability to accommodate in one’s workflow longer execution times. By contrast, currently used core simulators by the nuclear industry can execute on engineering workstations and have execution times of seconds to minutes. The desirability for having short execution times is not only desired for support of time critical tasks but supports the mental process of decision making by engineers. The goal of the work reported upon here has the objective of retaining the fidelity of higher fidelity models while retaining the ability to utilize engineering workstations. Beyond the core simulator goal, additional goals of this work include incorporating the just described core simulator capability into a Nuclear Steam Supply System (NSSS) simulator, and to incorporate the resulting capability into an environment supportive of design and operational decision making associated with nuclear power stations. The model selected for the core neutronics model is the NESTLE code, for the core thermal-hydraulic model is the CTF code utilizing coarse mesh, and for the NSSS model is the RELAP5-3D code. WSC’s proprietary 3KEYMASTERTM platform is being used to provide software coupling, user interface, visualization, and reporting. The NESTLE core neutronics simulator was first integrated with the CTF core thermal-hydraulic simulator using CTF developed communication commands which are also used for CTF to communicate with RELAP5-3D under WSC’s proprietary 3KEYMASTERTM platform. To assure NESTLE prediction consistency with higher fidelity core neutronic simulators, buffer codes have been created to automatically generate from output files written by the VERA core simulator the NESTLE nodal neutronic parameter’ library, geometry, and pin-power reconstruction input files, thereby avoiding a number of challenges associated with utilizing lattice physics codes and providing consistency with VERA predictions. To treat absorber rod effects a multi-set library is utilized, where a set refers to a specific absorber rod fully inserted pattern. A coarse spatial mesh CTF model was developed with features added that support using CTF as envisioned in the engineering quality simulator. A hybrid meshing approach was implemented to allow for automated construction of models with mixed levels of refinement. Specifically, a core model could resolve some assemblies at a nodal level (4 subchannels per assembly) and others at a pin-resolution (one subchannel per coolant subchannel in the assembly). The intention is that this will allow for better resolution of limiting conditions such as DNBR and PCT, which are based on local rod and subchannel conditions. Further development was done of features that enhance the capabilities for the envisioned engineering quality simulator that has been developed, but now for RELAP-3D. The RELAP5-3D code development includes ability to model more than 999 components and the addition of the cross-channels turbulence mixing model and the void drift model that are implemented in CTF, aiming to achieve closer prediction agreement of the two codes for transient simulations, specifically, more accurate matches of the overall mass, momentum, and energy exchanges of both the liquid and gas phases between the neighboring core assemblies. Graphics were also developed for the Instructor Station for this project under WSC’s proprietary 3KEYMASTERTM platform to facilitate design and operational decision making.

42 ENGINEERING↗
DOE OSTI2025

Alaska Liquid Natural Gas Pipeline Front-End Engineering & Design (Final Technical Report)

The Alaska Gasline Development Corporation (AGDC) is Alaska’s natural gas infrastructure development corporation established in 2013. AGDC’s mission is to maximize the benefit of Alaska’s vast North Slope natural gas resources for Alaskans through the development of infrastructure necessary to move the gas into local and international markets. AGDC was identified for a Congressionally Directed Spending (CDS) project for funding in the Energy and Water Development and Related Agencies Appropriations Act, 2023 under the heading: “Congressionally Directed Energy Efficiency and Renewable Energy Projects.” The CDS included $\$$4,000,000 of direct funding, with required match funds, to move the project forward. Alaska’s North Slope holds America’s largest proven and conventional natural gas supply. The integrated Alaska LNG Project will deliver 3.5 billion cubic feet of natural gas per day from Alaska’s North Slope gas fields to Alaskans as well as to a marine terminal located at tidewater in Cook Inlet. Alaska LNG is an integrated gas infrastructure project with three major components: a gas treatment plant (GTP) located at Prudhoe Bay, an 807-mile (1,287 km) gas pipeline (Mainline Pipeline) to Southcentral Alaska with interconnections for in-state gas use, and a natural gas liquefaction facility (LNG Facility) in Nikiski, Alaska. The integrated Alaska LNG Project has several strategic advantages including proven gas resources, existing upstream infrastructure, an advantageous arctic climate for LNG production, proximity to LNG markets, a track record of reliability from a state that first began exporting LNG to Japan in 1969, and broad support from Alaskans. North Slope natural gas is a conventional resource and can be produced with minimal drilling at a fraction of the carbon dioxide emissions of shale gas from the Lower 48 states. Through the development of the Alaska LNG Project, Alaska can provide energy security to Alaskans and a stable source of LNG to the Asia-Pacific region for generations. The Alaska LNG Project has been progressed through Pre-Front-End Engineering Design (Pre-FEED) and has obtained all major federal and State of Alaska permits and authorizations to construct the project, including the Federal Energy Regulatory Commission (FERC) Order Granting Authorization Under Section 3 of the Natural Gas Act. On September 5, 2024, the U.S. Department of Energy (DOE), National Energy Technology Laboratory (NETL) awarded Project No. DE-FE0032307 to AGDC with the objective to progress the project to Front-End Engineering Design (FEED) entry for the Alaska LNG Project Phase 1 Pipeline. The award Start Date was made effective July 1, 2023, with a Period of Performance through June 30, 2025. On March 27, 2025, AGDC announced the execution of definitive commercial agreements with Glenfarne Alaska LNG, LLC, an affiliate of Glenfarne Group, LLC, (together as “Glenfarne”), to lead the development of the Alaska LNG Project and enter FEED for the Phase 1 Pipeline. Project activities are now funded and directed by this private sector partner who holds a 75% interest in 8 Star Alaska, LLC (8 Star). 8 Star holds the assets of the Alaska LNG Project. As planned, AGDC continues to hold 25% minority interest in 8 Star and will play a governance role moving forward with Alaska LNG. This definitive commercial agreement milestone led to the successful completion of AGDC’s Statement of Project Objectives (SOPO) for FEED entry and led to the completion of DOE Project No. DE-FE0032307. At conclusion of the SOPO, AGDC also reached the award’s maximum federal cost share of $\$$4,000,000. AGDC is, therefore, providing Final Technical Report to close out DOE Project No. DE-FE0032307.

02 PETROLEUM↗
DOE OSTI2024

The XRISM first-light observation: Velocity structure and thermal properties of the supernova remnant N 132D

Abstract We present an initial analysis of the X-Ray Imaging and Spectroscopy Mission (XRISM) first-light observation of the supernova remnant (SNR) N 132D in the Large Magellanic Cloud. The Resolve microcalorimeter has obtained the first high-resolution spectrum in the 1.6–10 keV band, which contains K-shell emission lines of Si, S, Ar, Ca, and Fe. We find that the Si and S lines are relatively narrow, with a broadening represented by a Gaussian-like velocity dispersion of $\sigma _v \sim 450$ km s$^{-1}$. However, the Fe He$\alpha$ lines are substantially broadened with $\sigma _v \sim 1670$ km s$^{-1}$. This broadening can be explained by a combination of the thermal Doppler effect due to the high ion temperature and the kinematic Doppler effect due to the SNR expansion. Assuming that the Fe He$\alpha$ emission originates predominantly from the supernova ejecta, we estimate the reverse shock velocity at the time when the bulk of the Fe ejecta were shock heated to be $-1000 \lesssim V_{\rm rs}$ (km s$^{-1}$) $\lesssim 3300$ (in the observer frame). We also find that Fe Ly$\alpha$ emission is redshifted with a bulk velocity of $\sim 890$ km s$^{-1}$, substantially larger than the radial velocity of the local interstellar medium surrounding N 132D. These results demonstrate that high-resolution X-ray spectroscopy is capable of providing constraints on the evolutionary stage, geometry, and velocity distribution of SNRs.

individual objects↗
DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

EV Charging Infrastructure Energization An Overview of Approaches for Simplifying and Accelerating Timelines to Processing EV Charging Load Service Requests

The United States has seen significant growth in electric vehicle (EV) adoption, leading to increased demand for EV charging infrastructure. Over the past decade, EV charging infrastructure site developers, site hosts, and electric distribution utilities have navigated the process to integrate chargers onto the electric grid. Site developers and site hosts have raised the alarm that the integration process for high-powered EV charging projects does not meet the needs of the EV market for timeliness or cost. High-powered charging stations typically require a load service request or an agreement with the local utility to connect to the grid. The process of energizing a new high-powered charging site can be complex and time-consuming, often taking up to 2 years. This timeline is the result of current utility energization processes having been designed for construction projects that take longer to build (i.e., buildings). The specific challenges stem from various factors, including compartmentalization in application processes, the integration of EV charging process approvals with other distributed energy resources (DERs), and the need to ensure grid reliability. The energization process needs to evolve to meet the growing demand for high-powered EV charging. This white paper compiles information gathered through various conversations with key stakeholders, including utilities, utility regulators, EV charging operators, site developers, and authorities having jurisdiction (AHJ) as well as through an extensive literature review. This document identifies the challenges and provides potential solutions to streamline the process of connecting EV charging infrastructure to the power grid in the United States, serving as a starting point for future conversations around these solutions. The solutions noted in this white paper require collaborative efforts among utilities, regulators, and EV charging infrastructure developers to streamline the grid connection process for EV charging infrastructure. They are broadly organized into four areas: 1. Increase data access and transparency: Develop automated load service request tools, integrate hosting capacity and load service request analyses, incorporate EV adoption forecasts, and provide transparency on the processing queue. 2. Improve energization processes and timing: Create fast-track options based on prescreening criteria, provide flexibility or phased approvals in the load service request/interconnection process, build internal knowledge within utilities about EV charging technologies, and provide standardized workforce training. 3. Promote economic efficiency: Right size distribution components to accurately reflect the load requirements of EV charging infrastructure, make proactive investments in grid infrastructure based on EV adoption forecasts and growth projections, and consider energy equity and environmental justice factors such as equitable access to EV charging when planning infrastructure. 4. Improve grid reliability and resilience: Use load management/power control systems (PCS) at EV charging stations, adopt and implement harmonized standards for communication protocols and information models between the EV charging and grid control infrastructure, and address cybersecurity considerations by implementing robust security measures and standards for EV charging infrastructure—with particular emphasis on clarifying the security requirements for the interface to the grid. The objective of the solutions proposed in this white paper is to accelerate the timeline and decrease costs associated with connecting EV charging infrastructure to the grid. Electric utilities, utility regulators, EV charging infrastructure developers, and site hosts will first need to understand which solutions are available in their service territory, and if warranted, which combination of solutions would support their specific needs. Through the successful implementations of solutions at scale detailed here, industry will demonstrate a new and innovative ecosystem where timely deployment and energization of EV charging infrastructure with greater grid resiliency and reliability is a reality.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
DOE OSTI2026

Chemically Enabled CO 2 -Enhanced Oil Recovery in Multi-Porosity, Hydrothermally Altered Carbonates in the Southern Michigan Basin (Final Technical Report)

This is the Final Technical Report for the project "Chemically Enabled CO 2 -Enhanced Oil Recovery in Multi-Porosity, Hydrothermally Altered Carbonates in the Southern Michigan Basin." Over the course of six years of collaboration between Battelle and project partners, all stated objectives of the program have been completed, including full geological characterization of the TBR trend (See companion report for Task2), laboratory and modeling experiments to determine the optimum composition and design of CO 2 -EOR operations in the TBR trend, execution of a field test of chemically-enhanced CO 2 in a TBR well, and integration of the data and learnings gathered during these efforts into a full-trend development plan. Detailed reporting on these activities, their outcomes, and implications for trend-wide development is provided in the report. This report and encompassed data will provide TBR field operators with detailed information on what worked, what did not work, and how to proceed with production optimization of their TBR assets using chemically-enhanced CO 2 -EOR. CO 2 -EOR is a relatively well understood and broadly implemented strategy for increasing incremental production across the oil and gas industry, but its application has been primarily focused on reservoirs with limited heterogeneity. The intention of this project was show first that the same physical mechanisms that improve recovery factors in homogeneous reservoirs (namely wettability alteration, viscosity alteration, oil swelling, and mobility control) are at play in heterogeneous reservoirs. This was proven by the project’s laboratory studies and dynamic simulations, with the potential exception of mobility control, which needs further study. The second intention was to demonstrate via direct field testing that CO 2 -EOR can work in a strongly heterogeneous reservoir. While the field test strategy implemented during this project did not succeed in producing oil, data gathered during the test sheds light on what may work for field operators who try chemically-enhanced CO 2 -EOR within their own reservoirs, significantly reducing the level of uncertainty carried by first-of-a-kind commercial efforts that could (and should) follow this test. Simultaneously, the project has identified several large-volume ethanol plants and other sources of CO 2 emissions in the region and provided a handrail that CO 2 emitters and field operators can leverage to capture, transport, and inject that CO 2 into their fields. This project has also shown that, in many cases, the economics of CO 2 -EOR in the TBR are attractive. And finally, by completing a project of this scope in the southern Michigan Basin, the project has contributed to the knowledge base and operational experience of field operators, state regulatory agencies, local service companies, and state universities, with CO 2 -EOR projects which should allow follow-on projects to proceed safely and efficiently.

02 PETROLEUM↗
DOE OSTI2026

Two-Stage Wildlife Event Classification for Edge Deployment

Camera-based wildlife monitoring is often overwhelmed by non-target triggers and slowed by manual review or cloud-dependent inference, which can prevent timely intervention for high stakes human–wildlife conflicts. Our key contribution is a deployable, fully offline edge vision sensor that achieves near-real-time, highly accurate wildlife event classification by combining detector-based empty-image suppression with a lightweight classifier trained with a staged transfer-learning curriculum. Specifically, Stage 1 uses a pretrained You Only Look Once (YOLO)-family detector for permissive animal localization and empty-trigger suppression, and Stage 2 uses a lightweight EfficientNet-based binary classifier to confirm puma on detector crops and gate downstream actions. Our design is robust to low-quality nighttime monochrome imagery (motion blur, low contrast, illumination artifacts, and partial-body captures) and operates using commercially available components in connectivity-limited settings. In field deployments running since May 2025, end-to-end latency from camera trigger to action command is approximately 4 s. Ablation studies using a dataset of labeled wildlife images (pumas, not pumas) show that the two-stage approach substantially reduces false alarms in identifying pumas relative to a full-image classifier while maintaining high recall. On the held-out test set (N = 1434 events), the proposed two-stage cascade achieves precision 0.983, recall 0.975, F1 0.979, accuracy 0.986, and balanced accuracy 0.983, with only 8 false positives and 12 false negatives. The system can be easily adapted for other species, as demonstrated by rapid retraining of the second stage to classify ringtails. Downstream responses (e.g., notifications and optional audio/light outputs) provide flexible actuation capabilities that can be configured to support intervention.

58 GEOSCIENCES↗
DOE OSTI2025

EMPOWERED Distributed Energy Resources Permit Accelerator Pilot

This report summarizes the EMPOWERED Distributed Energy Resources (DER) Permit Accelerator Pilot project. Its primary objective was to streamline the design, installation, permitting, and inspections of targeted Distributed Energy Resource (DER) solutions. Streamlining these processes is critical to strengthening and accelerating the adoption of DER solutions nationwide. Moreover, streamlined processes help expedite the clean energy transition and expand energy resilience by improving understanding and capability among key stakeholders like property owners, code officials, and the general workforce. The project team accomplished this by developing and deploying a set of design and permitting guides for simple DER solutions, which they rolled out via a permitting pilot program. The project team developed nine permitting and inspection guides for simple DER solutions, as follows: 1. Single-Family and Duplex: Electric Vehicle Service Equipment (EVSE), and Storage, Solar + Storage (each in two code cycles) 2. Multi-family and Office: EVSE, Storage, Solar + Storage (each in two code cycles) 3. A permitting process guide to support the implementation of the permitting guides. The guides cover key code requirements via plan review and field inspection checklists for code officials and building owners to follow to streamline the permitting and inspections process for DER solutions. Following the development of the initial set of guides, the project team formed two cohorts, each made up of four jurisdictions, to participate in the Permit Accelerator Pilot. Each cohort received training and technical assistance to support them in incorporating the guides into use. The project successfully engaged jurisdictions in two disparate US regions: Chelsea, Somerville, Natick, and Norwood in metro Boston; and Pima County, Town of Gilbert, Flagstaff, and Sedona in Arizona. Feedback gathered from the project was valuable in refining the guides to better address jurisdictional needs. After the pilot period, the project team developed final versions of the guides based on extensive feedback from the cohorts and from external technical peer review. Feedback included needs and barriers related to implementation, as well as detailed technical improvements from external peer review. The final guides were presented in a series of webinars with a national reach, with 192 attendees from 35 states in the live session of the final webinar, and the final guides are posted online and available for use nationwide. Key findings: • The most receptive jurisdictions were those adjacent to other jurisdictions that had already adopted similar initiatives. The least receptive jurisdictions were those in the midst of adopting new code cycles. • The most common barrier to jurisdictional adoption of new guidelines were internal administrative and process delays, more so than technical barriers. • The main technical barrier to adoption proved to be the concern of fire hazard risks posed by energy storage systems. There is some apprehension in the code enforcement community about the safety of the batteries. Education coordinated with fire and safety services will help alleviate concerns and increase confidence in the acceptance of innovative technologies. • Opportunities to further leverage and advance the guides and related resources include outreach, education, and jurisdictional support; updates to the resources to align with code cycle changes and local requirements; and advancements supporting emerging technologies.

14 SOLAR ENERGY↗
DOE OSTI2024

Air-coupled tsunamis generated from impacts and airbursts: Our understanding before Hunga-Tonga Hunga-Ha'apai

The effort to prevent or mitigate the effects of an impact on Earth is known as planetary defense. A significant component of planetary defense research involves risk assessment. Much of our understanding of the risk from near-Earth objects comes from the geologic record in the form of impact craters, but not all asteroid impacts are crater-forming events. Small asteroids explode before reaching the surface, generating an airburst, and most impacts into the ocean do not penetrate the water to form a crater in the sea floor. The risk from these non-crater-forming ocean impacts and airbursts is difficult to quantify and represents a significant uncertainty in our assessment of the overall threat. We are currently working to better understand impact scenarios that can generate dangerous tsunamis. One of the suggested mechanisms for the production of asteroid–generated tsunamis is by direct coupling of the pressure wave to the water, analogous to the means by which a moving weather front can generate a meteotsunami. To test this hypothesis, we ran a series of airburst simulations and provided time-resolved pressure and wind profiles to use as source functions for tsunami models. We used the CTH hydrocode to model the various airburst scenarios to compare to the results of other simulations and provide time dependent boundary conditions as input to shallow-water wave propagation codes. The strongest and most destructive meteotsunamis are generated by atmospheric pressure oscillations with amplitudes of only a few hPa1 (mbar), corresponding to changes in sea level of a few cm. The resulting wave is strongest when there is a resonance between the ocean and the atmospheric forcing. A Proudman resonance takes place when the atmospheric disturbance’s translational speed (U) equals the longwave phase speed $\sqrt{gh}$ of shallow water wave. Coupling is strongest when the Froude number (Fr=U/c) is unity. A weather front propagates much slower than the speed of sound, so meteotsunamis are most common and dangerous in shallow bodies of water such as the Mediterranean Sea or Lake Michigan. By contrast, the blast wave from an airburst or crater-forming impact propagates at a speed faster than a tsunami in the deepest ocean, and a Proudman resonance cannot be achieved even though the overpressures are orders of magnitude greater. However, blast wave profiles are N-waves in which a sharp shock wave leading to overpressure is followed by a more gradual rarefaction to a much longer-duration underpressure phase. Even though the blast outruns the water wave it is forcing, the tsunami should continue to be driven by the out-of-resonance gradient associated with the suction phase, which may depend strongly on the details of the airburst or impact scenario. The open question is whether there are any conditions under which such an airburst-driven tsunami can be dangerous enough to contribute to the overall impact risk. We have also identified other potential mechanisms for airburst-generated tsunamis: 1) reaction force at the surface from the plume ejected into space, which carries significant momentum, 2) expanding toroidal vortices at the surface, which travel more slowly than the shock wave and can generate a Proudman resonance in relatively shallow ocean (such as continental shelf), and 3) steam explosion from seawater ablation by a “Type II” (Libyan Desert Glass-type) airburst in which the hot vapor jet descends to the surface. On January 15, 2022, the Hunga-Tonga Hunga-Ha’apai volcano, located approximately 60 km north of Tongatapu, the main island of Tonga, violently erupted with a powerful explosion, culminating the period of volcanic activity that started in December of 2021. This event and resulting tsunamis provided an existence proof for the air pressure wave coupling mechanism we proposed. It also suggests that it can be stronger and more significant over much greater distances than we contemplated, leading to global tsunamis associated with impact events on land as well as in the water. Large atmospheric explosions generate global Lamb waves with larger amplitudes, longer periods, and slower speeds than the local and regional blast waves we modeled prior to that event. This paper reviews our analysis and modeling of airburst-driven tsunamis prior to the 2022 Hunga-Tonga Hunga-Ha’apai tsunami, which was the subject of two presentations at the 2023 Planetary Defense Conference and is the subject of another paper currently in preparation.

54 ENVIRONMENTAL SCIENCES↗