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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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At least 109 records · Page 6

Exploring thermal runaway propagation in Li-ion batteries through high-speed X-ray imaging and thermal analysis: Impact of cell chemistry and electrical connections

Battery safety design is important to consider from the individual Li-ion cell to the level of the macro-system. On the macro-level, failure in one single cell can lead to propagation of the thermal runaway and rapidly set a whole battery pack on fire. Factors that can impact the propagation outcome, such as cell model/chemistry and electrical connection are here investigated using a combination of measurements. Several abusive tests were conducted, combining two different cell models (Molicel P42A and LG M50, both 21700s) in series and parallel connections (16 tests per configuration). Overall, a propagation outcome of 56% was measured from the 32 conducted tests, a minimum temperature of 150 °C was required to initiate propagation, and the fastest propagation occurred in 123 s. Temperature measurements were higher in series connected cells, initiating the discussion of cell chemistry and internal resistance on this effect. The difference in current-flow during thermal runaway in series and parallel connections, and how this can affect the temperature evolution is further discussed. Spatio-temporal mapping of X-ray radiography allowed us to derive the speed of thermal runaway evolution inside the battery and has shown that series connected cells, in particular P42A, occur faster. It was further observed that deviant sidewall behaviors such as temperature-induced breaches and pressure-induced ruptures occurred in P42As only respective nail-penetrated cells only.

25 ENERGY STORAGE↗

AI Model Benchmarking for Nonproliferation Applications: Steel Thread Benchmarking Task Force Technical Report (Rev. 2)

Steel Thread is a NA-22 venture that seeks to build trustworthy, reliable AI models that can be used in a wide variety of nonproliferation tasks. A key aspect of building these models is developing appropriate benchmarks and evaluation methods, which will enable the venture to identify and adapt models to provide the most value in the nonproliferation domain. Benchmarks must be relevant to key tasks in this domain, such as question answering, information retrieval, document summarization and classification, consensus analysis, and image and data analysis. This report 1) provides an overview of benchmark design, evaluation, and challenges; 2) reviews a variety of open benchmarks, with a focus on language models and tasks; and 3) identifies benchmarks that are most relevant to Steel Thread. This report is intended to serve as a basis for further efforts to classify and evaluate benchmarks and their correlation with success on nonproliferation-specific tasks. The Steel Thread venture has defined benchmarks to be a particular combination of a dataset (or datasets) and a metric (or metrics) conceptualized as representing one or more specific tasks or sets of abilities for a specific modality. It is adopted by a research community as a shared framework for comparing methods.1 It includes 1) Data: Labeled (a designated subset not used for training, which could be all the data), 2) Metric: A way to quantify performance, 3) Task/Ability: What the benchmark is testing, 4) Protocol: A structured and repeatable evaluation process, 5) Baseline/Reference Model: For comparison; could be statistical, rule-based, SME-derived, or another model, and 6) Maintenance Plan: to update with new information over time; important for long-term utility. For further clarity, the definition includes what a benchmark, in this context, is not. It is not a corpus of training data, specific to a model (it is intended to apply to a range of models), a universal evaluation of performance, a guarantee that the ‘top’ model on the leaderboard will be the best fit for every specific use case, an all-encompassing proof of a model’s universal quality, nor is it a one-size-fits-all measure of success. It does not cover every real-world constraint (like operational, ethical, or cost considerations), a systems integration test, or a unit test. This definition was inspired by and resulted from discussions within the Steel Thread Benchmarking Task Force. This group was formed to define what we would mean as a benchmark within Steel Thread but persisted as the need to develop a thorough understanding of the large and expanding existing benchmarking space. This technical report is a result of the group’s divide and conquer approach to exploring this space. The release of benchmarks might not be progressing as quickly as model development, but it is moving very fast, as many benchmarks quickly become saturated, when state-of-the-art models score so close to the benchmark’s ceiling that their results are virtually indistinguishable. At that point, the test no longer differentiates between new systems, so researchers usually stop reporting scores as the benchmark no longer informs about improvements from the next generation of models. In the OpenAI announcement of GPT-5, they reported results on six flagship public benchmarks (AIME 2025, SWE-bench Verified, Aider Polyglot, MMMU, HealthBench Hard, GPQA) but the full system-card covers roughly thirty-five separate evaluations, comprising hundreds of test task items in total. There have been some efforts to summarize benchmarks in specific fields, like for text-to-image generation, but these surveys have had a narrow methodology scope. Therefore, a comprehensive survey of all benchmarks or even all benchmarks that could be relevant to Steel Thread is outside of the scope of this report. We chose some specific benchmarks to investigate in detail.

97 MATHEMATICS AND COMPUTING↗

APPL Hyperspectral_Imaging_Dataset_for_Heritability_Analysis_in_Populus_trichocarpa

This dataset contains hyperspectral imaging data collected at the Advanced Plant Phenotyping Laboratory (APPL) at Oak Ridge National Laboratory. Natural variants of Populus trichocarpa were imaged using a high-throughput hyperspectral phenotyping pipeline to quantify spectral reflectance traits for downstream quantitative genetics analyses. The dataset includes hyperspectral image files and derived reflectance data products suitable for extracting spectral features across the measured wavelength range (e.g., VNIR and/or SWIR, depending on instrument configuration), along with associated sample metadata (e.g., genotype identifiers, experimental design factors, and imaging run identifiers). These data were generated to support analyses of broad-sense heritability of hyperspectral traits and their relationships with biochemical phenotypes (including lignin traits from Py-MBMS).

APPL↗

LLM integration into EPICS

The utilization of large language models (LLMs) such as ChatGPT has seen a remarkable increase in various fields over the past few years. These models have demonstrated their versatility and capability in understanding and generating human-like text, making them invaluable tools in numerous applications. In this project, we explore the integration of a LLM into the Experimental Physics and Industrial Control System (EPICS). The primary focus of this integration is to employ the LLM for advanced image processing and spatial analysis on images obtained from the beamlines. By leveraging the capabilities of the LLM, we aim to enhance the accuracy and efficiency of image interpretation, enabling more precise data analysis and decision-making within the EPICS framework. This integration not only showcases the potential of LLMs in scientific and industrial applications but also sets the stage for future advancements in automated control systems.

Adams, Ethan↗

Image-Driven Hybrid Structural Analysis Based on Continuum Point Cloud Method with Boundary Capturing Technique

Conventional approaches for the structural health monitoring of infrastructures often rely on physical sensors or targets attached to structural members, which require considerable preparation, maintenance, and operational effort, including continuous on-site adjustments. This paper presents an image-driven hybrid structural analysis technique that combines digital image processing (DIP) and regression analysis with a continuum point cloud method (CPCM) built on a particle-based strong formulation. Polynomial regressions capture the boundary shape change due to the structural loading and precisely identify the edge and corner coordinates of the deformed structure. The captured edge profiles are transformed into essential boundary conditions. This allows the construction of a strongly formulated boundary value problem (BVP), classified as the Dirichlet problem. Capturing boundary conditions from the digital image is novel, although a similar approach was applied to the point cloud data. It was shown that the CPCM is more efficient in this hybrid simulation framework than the weak-form-based numerical schemes. Unlike the finite element method (FEM), it can avoid aligning boundary nodes with regression points. A three-point bending test of a rubber beam was simulated to validate the developed technique. The simulation results were benchmarked against numerical results by ANSYS and various relevant numerical schemes. The technique can effectively solve the Dirichlet-type BVP, yielding accurate deformation, stress, and strain values across the entire problem domain when employing a linear strain model and increasing the number of CPCM nodes. In addition, comparative analysis with conventional displacement tracking techniques verifies the developed technique’s robustness. The proposed technique effectively circumvents the inherent limitations of traditional monitoring methods resulting from the reliance on physical gauges or target markers so that a robust and non-contact solution for remote structural health monitoring in real-scale infrastructures can be provided, even in unfavorable experimental environments.

Chemistry↗

Applications Of Machine Learning to Gas Plume Analysis In Longwave Infrared Hyperspectral Images

Longwave infrared hyperspectral images can be used for gas plume analysis, as many gases exhibit distinct absorption features in this portion of the electromagnetic spectrum. In practice, accurately identifying weak gas signatures is difficult because the observed radiance is dominated by background radiance, which varies with material, temperature, and viewing conditions. Many gas plume analysis pipelines operate on single images, limiting the ability to leverage spatial and multi-view information that could enhance the analysis. The goal of this dissertation is to explore how machine learning and deep learning methods can complement classical approaches to improve gas plume identification in longwave infrared hyperspectral imagery, and to investigate the use of neural radiance fields for hyperspectral scene reconstruction.

3D Scene Reconstruction↗

Nanometer Scale Imaging to Develop Quantitative Descriptors of Bipolar Membrane Junction Structure

Swings in pH can be achieved by electrically polarizing a bipolar membrane (BPM) to drive water dissociation at the BPM junction for electrochemical conversion and separation processes. BPM junction design is critical to tailor performance for specific applications; however, characterization techniques capable of resolving the nanometer scale physical structure of the junction are limited. We present sample preparation, imaging, and analysis workflows that are adaptable to a variety of BPM junction architectures. Atomic force microscopy produces BPM junction images with nanometer scale lateral resolution for samples with and without a graphene oxide water dissociation catalyst in the junction. Subsequent image segmentation and analysis quantify line edge roughness and catalyst layer thickness as descriptors of junction structure. Comparison of pre- and post-electrodialysis junctions suggests electric field-induced alignment of catalyst particles during electrodialysis. This characterization workflow can inform manufacturing protocols, computational modeling, and failure mode analysis for next-generation BPMs.

97 MATHEMATICS AND COMPUTING↗

Image registration for accurate electrode deformation analysis in operando microscopy of battery materials

Operando imaging techniques have become increasingly valuable in both battery research and manufacturing. However, the reliability of these methods can be compromised by instabilities in the imaging setup and operando cells, particularly when utilizing high-resolution imaging systems. The acquired imaging data often include features arising from both undesirable system vibrations and drift, as well as the scientifically relevant deformations occurring in the battery sample during cell operation. For meaningful analysis, it is crucial to distinguish and separately evaluate these two factors. To address these challenges, we employ a suite of advanced image-processing techniques. These include fast Fourier transform analysis in the frequency domain, power spectrum-based assessments for image quality, as well as rigid and non-rigid image-registration methods. These techniques allow us to identify and exclude blurred images, correct for displacements caused by motor vibrations and sample holder drift and, thus, prevent unwanted image artifacts from affecting subsequent analyses and interpretations. Additionally, we apply optical flow analysis to track the dynamic deformation of battery electrode materials during electrochemical cycling. This enables us to observe and quantify the evolving mechanical responses of the electrodes, offering deeper insights into battery degradation. Together, these methods ensure more accurate image analysis and enhance our understanding of the chemomechanical interplay in battery performance and longevity.

Sun, Tianxiao↗

Application of Weak-Beam Dark-Field STEM for Dislocation Loop Analysis

Nanoscale dislocation loops formed by irradiation can significantly contribute to both irradiation hardening and embrittlement of materials when subjected to extreme nuclear reactor environments. Here, this study explores the application of weak-beam dark-field (WBDF) scanning transmission electron microscopy (STEM) methods for quantitative irradiation-induced defect analysis in crystalline materials, with a specific focus on dislocation loop imaging and analysis. A high-purity Fe-5 wt% Cr model alloy was irradiated with 8 MeV Fe 2+ ions at 450°C to a fluence of 8.8 × 10 19 m -2 , inducing dislocation loops for analysis. While transmission electron microscopy (TEM) has traditionally been the primary tool for dislocation imaging, recent advancements in STEM technology have reignited interest in using STEM for defect imaging. This study introduces and compares three WBDF STEM methods, demonstrating their effectiveness in suppressing background contrasts, isolating defect information for dislocation loop type classification, providing finer dislocation line images for small loop analysis, and presenting inside–outside contrast for identifying loop nature. Experimental findings indicate that WBDF STEM methods surpass traditional TEM approaches, yielding clearer and more detailed images of dislocation loops. The study concludes by discussing the potential applications of WBDF STEM techniques in defect analysis, emphasizing their adaptability across various material systems beyond nuclear materials.

36 MATERIALS SCIENCE↗

"Soiling, Cleaning, and Abrasion: The Results of the Five-Year Photovoltaic Glass Coating Field Study" [Slides]

External contamination ("soiling") of the incident surface is a major limiting factor for solar technologies. A 5-year field glass coupon study was conducted to better understand external contamination and its effects; compare cleaning methods and the use of preventative coatings; and explore the abrasion resulting from cleaning to advise on accelerated abrasion testing. Test sites included the cities of Dubai (UAE), Kuwait City (Kuwait), Mesa (AZ), Mumbai (India), and Sacramento (CA). Through the 5-year cumulative study, dry brush, water spray, and wet sponge and squeegee cleaning methods were compared to no cleaning. Optical microscopy was used to obtain images, including representative color images, grayscale images for object analysis, and oblique images for coating integrity assessment. A thresholding protocol was developed to analyze and distinguish specimens using the ImageJ software. Optical performance was quantified using a spectrophotometer, including comprehensive optical characterization (transmittance, reflectance, and absorptance in addition to forward- and back-scattering). Atomic force microscopy was used to verify the abrasion damage morphology, including the width and depth of surface scratches. Analysis of the results included correlation of optical performance and particle area coverage, rank order (by coating or location), and the acceleration factor for abrasion damage. The efficacy of external cleaning was more readily distinguished from the effectiveness of antisoiling coatings. The acceleration factor for dry brush cleaning of a porous silica coating was found to be on the order of unity.

14 SOLAR ENERGY↗

Size-Resolved Shape Evolution in Inorganic Nanocrystals Captured via High-Throughput Deep Learning-Driven Statistical Characterization

Precise size and shape control in nanocrystal synthesis is essential for utilizing nanocrystals in various industrial applications, such as catalysis, sensing, and energy conversion. However, traditional ensemble measurements often overlook the subtle size and shape distributions of individual nanocrystals, hindering the establishment of robust structure–property relationships. In this study, we uncover intricate shape evolutions and growth mechanisms in Co 3 O 4 nanocrystal synthesis at a subnanometer scale, enabled by deep-learning-assisted statistical characterization. By first controlling synthetic parameters such as cobalt precursor concentration and water amount then using high resolution electron microscopy imaging to identify the geometric features of individual nanocrystals, this study provides insights into the interplay between synthesis conditions and the sizedependent shape evolution in colloidal nanocrystals. Utilizing population-wide imaging data encompassing over 441,067 nanocrystals, we analyze their characteristics and elucidate previously unobserved size-resolved shape evolution. This high-throughput statistical analysis is essential for representing the entire population accurately and enables the study of the size dependency of growth regimes in shaping nanocrystals. Our findings provide experimental quantification of the growth regime transition based on the size of the crystals, specifically (i) for faceting and (ii) from thermodynamic to kinetic, as evidenced by transitions from convex to concave polyhedral crystals. Additionally, we introduce the concept of an “onset radius,” which describes the critical size thresholds at which these transitions occur. This discovery has implications beyond achieving nanocrystals with desired morphology; it enables finely tuned correlation between geometry and material properties, advancing the field of colloidal nanocrystal synthesis and its applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Imaging Three-Dimensional Molecular Structure and Dynamics with Multiparticle Covariance and Cumulant Coulomb Explosion Analysis

Coulomb explosion imaging (CEI) provides a direct means of imaging molecular geometry by correlating fragment ion momenta following the fragmentation of a molecular polycation. Here, we demonstrate the use of three-body covariance and four-body cumulant analysis to extract three-dimensional (3D) structural information from the X-ray-induced Coulomb explosion of tert-butyl iodide (C4H9I). Site-selective ionization at the iodine 4d edge with intense femtosecond soft X-ray pulses from an X-ray free-electron laser (XFEL) enables rapid charge buildup and molecular breakup. By correlating ionic fragments in the molecular frame, we isolate complete dissociation channels and reveal subtle structural changes, such as umbrella-type motion of the branched alkyl chain, during the ionization process. Comparison with point-charge simulations of the Coulomb explosion shows close agreement, validating the approach. Furthermore, these results establish covariance/cumulant mapping as a powerful strategy for imaging complex three-dimensional molecular structures and point the way toward time-resolved CEI using both XFEL and tabletop sources for capturing ultrafast structural dynamics.

Imaging↗

Stereo-DIC Challenge 1.0 – Rigid Body Motion of a Complex Shape

Background Stereo-DIC is a widely used optical measurement technique that provides a dense full-field 3D measurement of the shape, displacement, and strain of a solid sample. When compared with 2D-DIC, Stereo-DIC provides greater flexibility and expands its use beyond flat, planar specimens. Furthermore, the widespread availability of commercial systems has led to the adoption of the technique throughout industry, academia, and government research labs. Objective Even though some research has been done to understand the effects of different experimental and stereo-DIC parameters, no reference is available to benchmark and compare the performance of current stereo-DIC algorithms to each other. Methods This paper provides the description and analysis of a carefully controlled 3D experiment and associated images used to compare the results from five subset based DIC software packages. Both the images and analysis codes used in this paper to compare the results are described here and are available for download and use for continued research. Results We show that over a very large range of motion, the 3D errors are very small, less than 80μm over a travel of ±20 mm out-of-plane and ±20 mm in-plane. While all codes performed similarly, there are important differences noted in the paper. Conclusion The image sets and results comparison software are hosted by the International DIC Society (www.iDICs.org) and are freely available for download and analysis for comparison with results in this paper. Furthermore, it is hoped that this set of images can be used for future research in improving stereo-DIC by future authors.

Algorithms comparison↗

Elliptically-Contoured Tensor-variate Distributions with Application to Image Learning

Statistical analysis of tensor-valued data has largely used the tensor-variate normal (TVN) distribution that may be inadequate for data arising from distributions with heavier or lighter tails. We study a general family of elliptically contoured (EC) TV distributions and derive its characterizations, moments, marginal, and conditional distributions. We describe procedures for maximum likelihood estimation from data that are (1) uncorrelated draws from an EC distribution, (2) from a scale mixture of the TVN distribution, and (3) from an underlying but unknown EC distribution, for which we extend Tyler’s robust estimator. A detailed simulation study highlights the benefits of choosing an EC distribution over the TVN for heavier-tailed data. We develop TV classification rules using discriminant analysis and EC errors and show that they better predict cats and dogs from images in the Animal Faces-HQ dataset than the TVN-based rules. A novel tensor-on-tensor regression and TV analysis of variance (TANOVA) framework under EC errors is also demonstrated to better characterize gender, age, and ethnic origin than the usual TVN-based TANOVA in the celebrated labeled faces of the wild dataset.

97 MATHEMATICS AND COMPUTING↗

Automation of Laser Plasma Focused Ion Beam Microscopy for Next-Gen Energy Materials

Automation can revolutionize the use of ultrafast laser ablation and plasma-focused ion beam (PFIB) techniques for high-throughput, reproducible cross-sectioning and various sample preparation in materials characterization. As these methods become essential for analyzing complex energy materials and next-generation devices, efficient, standardized workflows are needed to minimize variability and enhance precision. This work highlights our advancements in developing automated processes for sample preparation that integrates machine learning, workflow optimization, and large-scale data acquisition to improve efficiency and scalability in applications such as electrolyzers, photovoltaic cells, and microelectronics. To streamline cross-sectioning and lamella fabrication, we have implemented fully automated workflows that standardize laser ablation and PFIB milling sequences. These workflows incorporate pre-programmed protocols for material removal, alignment, and thinning, reducing user intervention and ensuring consistency across different sample types. Machine learning algorithms further enhance automation by predicting optimal milling strategies and adapting parameters based on material properties and sectioning requirements. This approach significantly improves throughput while maintaining the structural integrity of prepared samples for high-resolution imaging and analysis, including transmission electron microscopy. Beyond sample preparation, our automation platform enables the acquisition of large, high-resolution datasets through serial sectioning, image alignment, and 3D reconstruction. These automated routines facilitate multi-scale characterization, capturing structural and compositional details from the nanoscale to the device level. By reducing variability and increasing efficiency, our automated approach enhances defect analysis, failure diagnostics, and process optimization, accelerating advancements in materials research and device engineering.

36 MATERIALS SCIENCE↗

Revealing the evolution of order in materials microstructures using multi-modal computer vision

The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microstructural order. Our present understanding is typically derived from laborious manual analysis of imaging and spectroscopy data, which is difficult to scale, challenging to reproduce, and lacks the ability to reveal latent associations needed for mechanistic models. Here, we demonstrate a multi-modal machine learning (ML) approach to describe order from electron microscopy analysis of the complex oxide La 1−x Sr x FeO 3 . We construct a hybrid pipeline based on fully and semi-supervised classification, allowing us to evaluate both the characteristics of each data modality and the value each modality adds to the ensemble. We observe distinct differences in the performance of uni- and multi-modal models, from which we draw general lessons in describing crystal order using computer vision.

36 MATERIALS SCIENCE↗