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DOE OSTI2025

FIRM image analysis: A machine learning workflow for quantifying extracellular matrix components from electron microscopy images

The extracellular matrix (ECM) is a complex network of biomolecules that plays an integral role in the structure, processes, and signaling mechanisms of cells and tissues. Identifying and quantifying changes in these matrix components provides insight into the mechanisms behind specific tissue remodeling processes; however, quantifying these changes is challenging due to difficult imaging conditions, complexity of the ECM, and the subtlety of these changes. Current imaging techniques allow us to visualize these critical remodeling events and developments in image analysis have employed a combination of analysis software and machine learning techniques to improve the efficiency and accuracy with which features are measured. Although image analysis has seen much improvement in recent years, there has been no technique developed to address ambiguity in feature edges in electron microscopy images. Presented here is a new machine learning-based workflow for the analysis of microscopy images named FIRM (Feature Identification from Raw Microscopy) that uses a random forest classifier to identify ECM features of interest and generate binary segmentation masks for quantification with ImageJ-FIJI. FIRM performed with an F1 score of 0.794 and greater than 80% accuracy for number and size of features detected. FIRM had similar deviation from the ground truth in the number of identified fibrils, fibril size, and size distributions when compared to human analyses. The results suggest that FIRM performs as well as manual analysis and requires a fraction of the time. This analysis technique is more efficient, eliminates user bias, and can be easily optimized to identify a variety of features, making it useful for any discipline requiring image analysis.

Science & Technology - Other Topics↗

DOE OSTI2025

Toward machine learning interatomic potentials for modeling uranium mononitride

Uranium mononitride (UN) is a promising accident-tolerant fuel because of its high fissile density and high thermal conductivity. In this study, we developed the first machine learning interatomic potentials for reliable atomic-scale modeling of UN at finite temperatures. We constructed a training set using density functional theory (DFT) calculations that was enriched through an active learning procedure, and two neural network potentials were generated. Both potentials successfully reproduce key thermophysical properties of interest, such as temperature-dependent lattice parameter, specific heat capacity, and bulk modulus. We also evaluated the energy of stoichiometric defect reactions and defect migration barriers and found close agreement with DFT predictions, demonstrating that our potentials can be used for modeling defects in UN. Additional tests provide evidence that our potentials are reliable for simulating diffusion, noble gas impurities, and radiation damage.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Developing a digital twin framework for remotely monitoring nuclear reactor facilities

A digital twin must seek to represent all applicable functional components of the system of interest. Different expertise is required for understanding the physical system being modeled than the skills needed for transforming those models into a functional digital twin through physics modeling, machine learning analysis, and visualization. The diversity of knowledge requires a multi-disciplinary team to ensure all system details are captured. Team members also need a method to verify that the data they generate within their domain can be effectively communicated to professionals in other fields. To address this challenge, this work provides an approach for developing a digital twin framework to remotely monitoring nuclear facilities. Through this, general knowledge of the framework is presented along with two examples to solidify the process. The AGN-201 digital twin and microreactor digital twins provide varying levels of complexity in a potential nuclear facility, where common threads are identified and lessons learned are provided. The goal of this research is to aid future researchers by providing a formula for a successful digital twin and in turn reducing the development time of nuclear system digital twins, specifically for remote monitoring.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

RU Net for Automatic Characterization of TRISO Fuel Cross Sections

TRistructural ISOtropic (TRISO) particle fuel is a type of nuclear fuel known for its high-temperature and high-burnup performance. Each sub-millimeter diameter TRISO particle consists of uranium-oxycarbide (UCO) or UO2 fuel kernel, coated with buffer, inner pyrolytic carbon (IPyC), silicon carbide (SiC), and outer pyrolytic carbon (OPyC) layers. The SiC layer acts as the main containment barrier for the TRISO particle to retain the fission products, while the IPyC and OPyC layers provide additional barriers to the release of fission products, especially fission gases. During irradiation, phenomena like kernel swelling, buffer densification, and IPyC fracture may impact fuel performance. Post-irradiation microscopy on entire compact cross sections or samples of individual particles deconsolidated from compacts is often used to identify these irradiation-induced changes in morphology. However, each fuel compact generally contains thousands of TRISO particles. To get statistical information on these phenomena, it is cumbersome work if done manually. For example, to get information about swelling/densification behaviors of different layers or kernels after irradiation, researchers previously manually measured the perimeter of each TRISO layer in hundreds of particles after four rounds of iterative grinding and polishing encompassing more than 2000 cross-section images for a total of four fuel compacts. To attempt to reduce the subjectivity inherent in that process and accelerate data analysis, we conducted a study on the automatic TRISO layer segmentation on cross-sectional microscopic images using Convolutional Neural Networks (CNNs). CNNs are a class of machine learning algorithms specifically designed for processing structured grid data that have gained popularity in recent years due to their remarkable performance in various computer vision tasks, including image classification, object detection, and image segmentation. In this research, we have generated the large irradiated TRISO layer dataset with more than 2000 cross-section TRISO microscopic images and the corresponding annotated images. Based on these annotated images, we have employed different CNNs for automatic segmentation of different TRISO layers. These include RU-Net (developed in this study), as well as three existing architectures: U-Net, Residual Network (ResNet), and Attention U-Net. The preliminary results show that the model based on RU-Net has the best performance in terms of intersection-over-union (IoU). Through the aid of these CNN models, we can expedite the analysis of TRISO particle cross-sections, significantly reducing the manual labor involved and improving the objectivity of the segmentation results.

Convolutional Neural Networks↗

DOE OSTI2025

Multi-fidelity equations of state and transport coefficient datasets for pulsed-power applications

Reliably simulating experiments relevant to the National Nuclear Security Administration (NNSA) requires a detailed description of material properties across a wide range of conditions. Such properties include the equations of state, charged-particle transport coefficients, and optical properties like the opacity. Together, these properties make up the material models used in radiation-magnetohydrodynamic simulations of nuclear fusion experiments. Many of these models do not incorporate uncertainties in the data used to produce them. It is unknown whether these uncertainties significantly impact the interpretation of simulation results and diagnostics. The purpose of this work is to quantify how such uncertainties impact simulations of pulsed-power experiments. We accomplished this task by first assessing discrepancies between approaches used to generate the data. This included bringing together members of the high-energy-density community spanning the three NNSA laboratories and multiple universities. Then, using these data, we developed a general framework that systematically incorporates physical uncertainties within the material models suitable for uncertainty quantification analyses. The framework utilizes machine learning, Bayesian inference, and incorporates multi-fidelity datasets. We demonstrated the framework by quantifying the impact that material model uncertainties have on simulations of pulsed-power experiments underway on Z at Sandia National Laboratories. As a result of this work, we discovered that modest uncertainties in material models (roughly 20%) correspond to significant uncertainties in the outputs from simulations. Our framework has enabled rapid construction of material models through an automated procedure and allows for the generation of material models of interest to the NNSA.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Inverse design of photonic surfaces via multi fidelity ensemble framework and femtosecond laser processing

We demonstrate a multi-fidelity (MF) machine learning ensemble framework for the inverse design of photonic surfaces, trained on a dataset of 11,759 samples that we fabricate using high throughput femtosecond laser processing. The MF ensemble combines an initial low fidelity model for generating design solutions, with a high fidelity model that refines these solutions through local optimization. The combined MF ensemble can generate multiple disparate sets of laser-processing parameters that can each produce the same target input spectral emissivity with high accuracy (root mean squared errors < 2%). SHapley Additive exPlanations analysis shows transparent model interpretability of the complex relationship between laser parameters and spectral emissivity. Finally, the MF ensemble is experimentally validated by fabricating and evaluating photonic surface designs that it generates for improved efficiency energy harvesting devices. Our approach provides a powerful tool for advancing the inverse design of photonic surfaces in energy harvesting applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Automated annotation of scientific texts for ML-based keyphrase extraction and validation

Advanced omics technologies and facilities generate a wealth of valuable data daily; however, the data often lack the essential metadata required for researchers to find, curate, and search them effectively. The lack of metadata poses a significant challenge in the utilization of these data sets. Machine learning (ML)–based metadata extraction techniques have emerged as a potentially viable approach to automatically annotating scientific data sets with the metadata necessary for enabling effective search. Text labeling, usually performed manually, plays a crucial role in validating machine-extracted metadata. However, manual labeling is time-consuming and not always feasible; thus, there is a need to develop automated text labeling techniques in order to accelerate the process of scientific innovation. This need is particularly urgent in fields such as environmental genomics and microbiome science, which have historically received less attention in terms of metadata curation and creation of gold-standard text mining data sets. In this paper, we present two novel automated text labeling approaches for the validation of ML-generated metadata for unlabeled texts, with specific applications in environmental genomics. Our techniques show the potential of two new ways to leverage existing information that is only available for select documents within a corpus to validate ML models, which can then be used to describe the remaining documents in the corpus. The first technique exploits relationships between different types of data sources related to the same research study, such as publications and proposals. The second technique takes advantage of domain-specific controlled vocabularies or ontologies. In this paper, we detail applying these approaches in the context of environmental genomics research for ML-generated metadata validation. Our results show that the proposed label assignment approaches can generate both generic and highly specific text labels for the unlabeled texts, with up to 44% of the labels matching with those suggested by a ML keyword extraction algorithm.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2024

Decentralized Microgrid Protection Through Relative Fault Direction Classification: Preprint

Protection in inverter-based resources (IBRs) dominated microgrids generally face significant challenges due to the low fault current and inconsistent fault behaviors from IBRs. Recently, machine learning-based approaches have attracted considerable attention to address these challenges. This paper introduces a novel decentralized protection strategy for microgrids. The proposed method decomposes the protection challenge into several distributed learning tasks, enabling individual relays to autonomously determine the direction of faults using a binary classification framework based on support vector machine (SVM) algorithms. Following the distributed fault direction estimation, classifier outcomes are shared among neighboring relays, facilitating a local decision-making process to ascertain the presence of faults within the neighborhood. Finally, a tripping signal is generated based on the classifier results of each relay to operate the circuit breaker. To test and validate this approach, a 100% renewable microgrid model is simulated in MATLAB/Simulink. In the numerical analysis, the application of SVM classifiers in our approach yields impressive results: an average relay classification accuracy of 98%, and a 96% accuracy in circuit breaker control. These findings highlight the potential of machine-learning-based approaches in enhancing the efficiency and reliability of microgrid protection systems.

decentralized algorithm↗

DOE OSTI2024

The role of AI in detecting and mitigating human errors in safety-critical industries: A review

For safety-critical industries, human error (HE) presents continual risks to system productivity, reliability and safety. Artificial intelligence (AI) and machine learning (ML) methods have emerged as promising approaches to understand, categorize and mitigate the risk of HE in safety-critical industries. Furthermore, this review offers an examination of the current landscape regarding the utilization of AI/ML with regards to HE in safety-critical industries, categorizing literature into descriptive modeling, predictive modeling, prescriptive modeling, and generative modeling techniques. Additionally, the review aims to provide insights regarding themes in literature, challenges, and future research directions. Findings of the review suggest that AI/ML methods can prove useful in addressing the HE problem across safety-critical industries.

42 ENGINEERING↗

DOE OSTI2024

Modeling and observations of North Atlantic cyclones: Implications for U.S. Offshore wind energy

To meet the Biden-Harris administration's goal of deploying 30 GW of offshore wind power by 2030 and 110 GW by 2050, expansion of wind energy into U.S. territorial waters prone to tropical cyclones (TCs) and extratropical cyclones (ETCs) is essential. This requires a deeper understanding of cyclone-related risks and the development of robust, resilient offshore wind energy systems. Here, this paper provides a comprehensive review of state-of-the-science measurement and modeling capabilities for studying TCs and ETCs, and their impacts across various spatial and temporal scales. We explore measurement capabilities for environments influenced by TCs and ETCs, including near-surface and vertical profiles of critical variables that characterize these cyclones. The capabilities and limitations of Earth system and mesoscale models are assessed for their effectiveness in capturing atmosphere–ocean–wave interactions that influence TC/ETC-induced risks under a changing climate. Additionally, we discuss microscale modeling capabilities designed to bridge scale gaps from the weather scale (a few kilometers) to the turbine scale (dozens to a few meters). We also review machine learning (ML)-based, data-driven models for simulating TC/ETC events at both weather and wind turbine scales. Special attention is given to extreme metocean conditions like extreme wind gusts, rapid wind direction changes, and high waves, which pose threats to offshore wind energy infrastructure. Finally, the paper outlines the research challenges and future directions needed to enhance the resilience and design of next-generation offshore wind turbines against extreme weather conditions.

17 WIND ENERGY↗

DOE OSTI2026

Graph Identification of Proteins in Tomograms (GRIP-Tomo) 2.0: Topologically aware classification for proteins

Cryo-electron tomography (cryo-ET) enables structural characterization of biomolecules under near-native conditions. Existing approaches for interpreting the resulting three-dimensional volumes are computationally expensive and have difficulty interpreting density associated with small proteins/complexes. To explore alternate approaches for identifying proteins in cryo-ET data we pursued a Graph Network and topologically invariant approach. Here, we report on a fast algorithm that classifies particles by searching for nuances of evolutionarily conversed motifs and the geometrical characteristics of protein structure. GRIP-Tomo 2.0 is a machine-learning pipeline that extracts interpretable topological features of protein structures within noisy experimental backgrounds. Compared to version 1.0, the new pipeline includes three upgrades that significantly improve performance including synthetic tomogram generation simulating realistic noise, graph-based persistent feature extraction as protein fingerprints, and high-performance computing acceleration. GRIP-Tomo 2.0 achieves over 90% accuracy in classifying between proteins and noise using both real and synthetic datasets which represents a foundational step toward advancing cryo-ET workflows and empowering automated visual proteomics.

Li, Chengxuan↗

DOE OSTI2025

Method to simultaneously facilitate all jet physics tasks

Machine learning has become an essential tool in jet physics. Due to their complex, high-dimensional nature, jets can be explored holistically by neural networks in ways that are not possible manually. However, innovations in all areas of jet physics are proceeding in parallel. We show that specially constructed machine learning models trained for a specific jet classification task can improve the accuracy, precision, or speed of all other jet physics tasks. This is demonstrated by training on a particular multiclass generation and classification task and then using the learned representation for different generation and classification tasks, for datasets with a different (full) detector simulation, for jets from a different collision system ($pp$ versus $ep$), for generative models, for likelihood ratio estimation, and for anomaly detection. We consider our omnilearn approach thus as a jet-physics foundation model. It is made publicly available for use in any area where state-of-the-art precision is required for analyses involving jets and their substructure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

A User-Friendly GUI Tool for Automated Microstructural Analysis of Fiber-Reinforced Composites and Porous Structures

Understanding and quantifying microstructural features such as fiber orientation and porosity is critical for predicting the mechanical behavior and performance of fiber-reinforced polymer composites. Traditional manual analysis is time-consuming, subjective, and unsuitable for high-throughput datasets. We present a graphical user interface (GUI) application that automates the analysis of microscopy images to extract key microstructural metrics, including fiber orientation tensors, fiber orientation distribution, porosity and pore size distribution. The app integrates multiple image segmentation techniques including global and local thresholding, clustering, and region-based approaches, offering flexibility for different types of image qualities and features. Users can load microstructural images, select regions of interest and segmentation techniques tailored to their image dataset. It also addresses a critical challenge in fiber orientation analysis: the ambiguities caused by touching, overlapping, or partially cut fibers. It supports autorun examples for standardized workflows, enabling reproducible analysis and facilitating training and benchmarking. This tool significantly reduces manual intervention, enhances consistency, and accelerates data generation for structure–property modeling, process optimization, and digital materials research. The tool is intended for use by materials scientists, engineers, and researchers engaged in composite characterization, quality control, and machine learning-based microstructural studies.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗

DOE OSTI2024

SUBTASK 1.6 – BASIN ELECTRIC CARBON STORAGE RESEARCH PROJECT: NOVEL MONITORING TECHNIQUES

The Energy & Environmental Research Center (EERC) conducted baseline activities associated with an applied research project at Basin Electric Power Cooperative’s (Basin’s) carbon capture and storage (CCS) site in Beulah, North Dakota, to establish novel carbon storage-monitoring techniques as commercial methods under Cooperative Agreement No. DE-FE0024233, Subtask 1.6. The following report summarizes the baseline activities performed and briefly describes the subsequent (operational monitoring) activities that have been proposed to the U.S. Department of Energy (DOE) as part of the overall project to develop and demonstrate novel monitoring techniques at North America’s largest permitted CCS operation. Dakota Gasification Company (DGC), a wholly owned subsidiary of Basin, owns and operates the Great Plains Synfuels Plant (GPSP) approximately 5 miles northwest of the town of Beulah, North Dakota (Figure 1). In 2023, DGC received approval from the North Dakota Industrial Commission (NDIC) to develop a storage facility on-site for injecting a stream of carbon dioxide (CO2) captured from GPSP. DGC will transport the captured CO2 stream with approximately 6.8 miles of transmission lines that extend north of GPSP and inject >1 million tonnes (MMt) of CO2 annually (>1 MMt/yr) over a 12-year period with up to six underground injection control (UIC) Class VI-compliant injection wells completed in the Broom Creek Formation, a predominantly sandstone reservoir and saline aquifer underlying GPSP. The Broom Creek Formation lies approximately 5900 feet (ft) below ground surface (bgs) at GPSP. The commercial scale (i.e., >1 MMt/yr) of DGC’s permitted carbon storage project is ideal for developing and testing the novel monitoring techniques included within Subtask 1.6. The goals of this project are to demonstrate 1) the cost-effectiveness of novel monitoring technologies included as part of this research, 2) technology capability for tracking the CO2 plume and/or associated pressure response in the subsurface and monitoring out-of-zone migration, and 3) compliance with UIC Class VI program requirements. The research activities proposed for the overall project include 1) design of an automated, integrated, modular (AIM) monitoring station; 2) time-lapse electromagnetic (EM) field surveys; 3) drone-based surveillance studies; 4) time-lapse monitoring with seismic methods; 5) advanced wellbore-monitoring methods; 6) deployment of an AIM monitoring network; 7) EM monitoring of CO2 with real-time data processing; 8) continued seasonal drone-based surveillance studies; 9) seismic monitoring with passive and active surveys; and 10) wellbore monitoring with nuclear magnetic resonance (NMR) for near-surface characterization. Completion of Activities 1.0–5.0 (baseline activities) are described in this report. Upon authorization of funding by DOE, the EERC will initiate Activities 6.0– 10.0 (operational monitoring activities). Current state-of-the-art (SOA) carbon storage-monitoring techniques require countless labor hours dedicated to the acquisition of data. Once data are gathered, these SOA techniques often rely on commercial facilities to process raw data from the field. However, it is anticipated that next-generation monitoring techniques, such as those being demonstrated, will lower acquisition footprints, be less operationally intensive, and improve data acquisition efficiencies. These new techniques are more conducive to the application of machine learning, artificial intelligence, and automation, thus providing a pathway for integration into active control systems, informing site operability, and improving the integration of data for future CCS projects across the United States. Additionally, reclaimed and active mining lands are present within the project site, creating a unique opportunity to demonstrate the effectiveness of remote sensing and surface-based geophysics monitoring techniques at similar project sites that may include disturbed, unconsolidated, or actively excavated near-surface environments. The efforts included in the overall project will produce necessary designs, learnings, and data acquired during the baseline and operational monitoring periods that are necessary for time-lapse demonstration and validation of the described monitoring techniques. In addition, it is anticipated that the monitoring technologies included in this study will be compliant with UIC Class VI requirements to enable the potential for implementation at other CCS sites across the United States.

42 ENGINEERING↗

DOE OSTI2025

Advancing Geothermal Research: Fiscal Year 2025 Accomplishments Report

This is a summary of geothermal work done at the National Renewable Energy Laboratory (NREL) in Fiscal Year 2025. This year brought increased attention to the geothermal industry and NREL's geothermal research portfolio. With more than 70 active projects, NREL research spanned the areas of resource exploration and characterization; conventional and next-generation geothermal technologies; subsurface thermal energy storage; heating and cooling; co-production of geothermal with critical minerals and oil and gas; modeling and analysis leveraging expertise in data science and machine learning; and more.

15 GEOTHERMAL ENERGY↗

DOE OSTI2026

Advancing Geothermal Research: Fiscal Year 2025 Accomplishments Report

This is a summary of geothermal work done at the National Laboratory of the Rockies in Fiscal Year 2025. This year brought increased attention to the geothermal industry and NLR's geothermal research portfolio. With more than 70 active projects, NLR research spanned the areas of resource exploration and characterization; conventional and next-generation geothermal technologies; subsurface thermal energy storage; heating and cooling; co-production of geothermal with critical minerals and oil and gas; modeling and analysis leveraging expertise in data science and machine learning; and more.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

TRANSFER LEARNING FOR FIELD EMISSION MITIGATION IN CEBAF SRF CAVITIES

The Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab operates hundreds of super-conducting radio frequency (SRF) cavities in its two linear accelerators (linacs). Field emission (FE) is an ongoing operational challenge in higher gradient SRF cavities. FE generates high levels of neutron and gamma radiation leading to damaged accelerator hardware and a radiation hazard environment. During machine development periods, we performed gradient scans to record data capturing the relationship between cavity gradients and radiation levels measured throughout the linacs. However, the field emission environment at CEBAF varies considerably over time as the configuration of the radio frequency (RF) gradients changes and due to the changing behaviour of field emitters. An artificial intelligence/machine learning (AI/ML) approach with transfer learning could be a valuable tool to mitigate FE and lower the radiation levels. In this work, we mainly focus on leveraging the RF trip data gathered during CEBAF operations. We develop a transfer learning-based surrogate model for radiation detector readings given RF cavity gradients to track the CEBAF?s changing configuration and environment. Then, we could use the developed model as an optimization process for redistributing the RF gradients within a linac to minimize radiation levels.

Ahammed, K.↗

DOE OSTI2024

TRANSFER LEARNING FOR FIELD EMISSION MITIGATION IN CEBAF SRF CAVITIES

Ahammed, K.↗