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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 the Whole Set of Accurate Sparse Interpretable Models

In data science applications, there are often many models that fit the data well. This phenomenon was called the Rashomon Effect by Leo Breiman. The set of good models is called the Rashomon Set, and the goal of this project is to locate, store, and study the Rashomon sets for classes of interpretable models, including decision trees and generalized additive models.

97 MATHEMATICS AND COMPUTING↗

One Earth Energy Seismic Interpretation

The objectives of the Illinois Storage Corridor (ISC) project are to accelerate commercial deployment of carbon capture utilization and storage at two individual sites and receive approvals for Underground Injection Control (UIC) Class VI permits for construction at each site (ISC Project Narrative, 2020). As part of this project, and as part of the subsurface geologic characterization, 2D seismic data was acquired at both sites. This report summarizes the findings from the 2D and 3D seismic interpretation at the One Earth Energy site near Gibson City, Illinois. The seismic data confirms the stratigraphic continuity of the Mt. Simon Arkose Zone storage interval and the Eau Claire confining unit across the project area. The seismic data also indicates that there are faults that transect the Mt. Simon Arkose Zone Sandstone storage reservoir within the modeled CO 2 plume (for more detailed information, see Faults and Fractures section of One Earth Energy Class VI Permit applications). However, the seismic data also shows that there are no faults within the modeled CO 2 plume that transect the confining unit Eau Claire Formation. The faults that transect the Mt. Simon Arkose Zone Sandstone storage reservoir all tip out in the Lower Mt. Simon Formation and do not reach the overlying Eau Claire confining unit. A small 3D survey acquired around the One Earth Energy #1 characterization well confirms these findings.

20 FOSSIL-FUELED POWER PLANTS↗

Prairie State Generating Company 2D Seismic Interpretation

The objectives of the Illinois Storage Corridor (ISC) project are to accelerate commercial deployment of carbon capture utilization and storage at two individual sites and receive approvals for Underground Injection Control (UIC) Class VI permits for construction at each site (ISC Project Narrative, 2020). As part of this project, and as part of the subsurface geologic characterization, two-dimensional (2D) seismic data was acquired at both sites. This report summarizes the findings from two phases of 2D acquisition and seismic interpretation at the Prairie State Generating Company site near Marissa, Illinois. The seismic data indicates the presence of three faults that completely transect the storage and confining units. The initial 2021 2D seismic acquisition revealed the presence of a feature two miles east of the Lively Grove #1 characterization well. The feature is a polyphase fault with a component of strike-slip motion, forming a small positive flower structure. The second phase of 2D seismic acquisition in 2022 constrained the maximum extent of the fault, indicating it has a relatively limited length. Other 2022 seismic lines revealed the presence of two other faults that transect the storage and confining units in the southwest and northeast portions of the 2D seismic acquisition area. The 2021 and 2022 2D seismic surveys have identified three specific locations within the project area that may have an elevated risk of out of zone CO 2 migration due to faulting. Further technical work will be needed to quantify this risk and determine how and if this risk will impact the placement of CO 2 injection wells across the project area.

01 COAL, LIGNITE, AND PEAT↗

FAIR Data and Interpretable AI Framework for Architectured Metamaterials (Final Report)

This research program established a transformative framework for the discovery and design of mechanical metamaterials, which are architected structures engineered to control physical phenomena like sound and vibration in ways natural materials cannot. To overcome the traditional reliance on trial-and-error, the project developed an interpretable Artificial Intelligence (AI) framework that moves beyond "black box" models to reveal the specific geometric patterns—such as "unit-cell templates"—that govern a material’s performance. A major breakthrough was the development of a hierarchical design method, which allows a single material to block vibrations across multiple frequency ranges simultaneously by layering patterns at different scales without them interfering with one another. This was further expanded to include irregular, graph-based designs that use spanning tree algorithms to ensure structural connectivity while allowing for customized, direction-dependent properties like stiffness and acoustic impedance. Beyond design, the project addressed the practicalities of real-world production by developing uncertainty quantification techniques that account for manufacturing defects and material variability, reducing the need for expensive physical testing by orders of magnitude. To speed up the discovery process, the team implemented Gaussian Process Regression and other surrogate models that provide accurate performance predictions at a fraction of the traditional computational cost. The AI-generated designs were successfully validated through fabrication of physical samples and wave propagation experiments, confirming their ability to accurately guide or reflect waves as predicted. By contributing these tools and high-quality FAIR benchmark datasets to the wider scientific community, this work provides a scalable foundation for advancing technologies in aerospace vibration control, medical imaging, and noise reduction.

36 MATERIALS SCIENCE↗

Deep learning models for interpretation of point of care ultrasound in military working dogs

Introduction: Military working dogs (MWDs) are essential for military operations in a wide range of missions. With this pivotal role, MWDs can become casualties requiring specialized veterinary care that may not always be available far forward on the battlefield. Some injuries such as pneumothorax, hemothorax, or abdominal hemorrhage can be diagnosed using point of care ultrasound (POCUS) such as the Global FAST® exam. This presents a unique opportunity for artificial intelligence (AI) to aid in the interpretation of ultrasound images. In this article, deep learning classification neural networks were developed for POCUS assessment in MWDs. Methods: Images were collected in five MWDs under general anesthesia or deep sedation for all scan points in the Global FAST® exam. For representative injuries, a cadaver model was used from which positive and negative injury images were captured. A total of 327 ultrasound clips were captured and split across scan points for training three different AI network architectures: MobileNetV2, DarkNet-19, and ShrapML. Gradient class activation mapping (GradCAM) overlays were generated for representative images to better explain AI predictions. Results: Performance of AI models reached over 82% accuracy for all scan points. The model with the highest performance was trained with the MobileNetV2 network for the cystocolic scan point achieving 99.8% accuracy. Across all trained networks the diaphragmatic hepatorenal scan point had the best overall performance. However, GradCAM overlays showed that the models with highest accuracy, like MobileNetV2, were not always identifying relevant features. Conversely, the GradCAM heatmaps for ShrapML show general agreement with regions most indicative of fluid accumulation. Discussion: Overall, the AI models developed can automate POCUS predictions in MWDs. Preliminarily, ShrapML had the strongest performance and prediction rate paired with accurately tracking fluid accumulation sites, making it the most suitable option for eventual real-time deployment with ultrasound systems. Further integration of this technology with imaging technologies will expand use of POCUS-based triage of MWDs.

59 BASIC BIOLOGICAL SCIENCES↗

Uncovering Structure–Conductivity Relationships in Anion Exchange Membranes (AEMs) Using Interpretable Machine Learning

Anion exchange membranes (AEMs) play a vital role in the performance of water electrolyzers and fuel cells, yet their discovery and optimization remain challenging due to the complexity of structure–property relationships. In this study, we introduce a machine learning framework that leverages conditional graph neural networks (cGNNs) and descriptor-based models and a hybrid graph neural network (HGARE) to predict and interpret ionic conductivity. The descriptor-based pipeline employs principal component analysis (PCA), ablation, and SHAP analysis to identify factors governing anion conductivity, revealing electronic, topological, and compositional descriptors as key contributors. Beyond prediction, dimensionality reduction and clustering are performed by employing t-SNE and KMeans as well as SOM, which reveal distinct membranes clusters, some of which were enriched with high anion conductivity. Among graph-based approaches, the graph convolutional (GCN) achieved strong predictive performance, while the Hybrid Graph Autoencoder-Regressor Ensemble (HGARE) achieved the highest accuracy. Additionally, atom-level saliency maps from GCN provide spatial explanations for conductive behavior, revealing the importance of polarizable and flexible regions. This work contributes to the accelerated and data-driven design of high-performance AEMs.

Naghshnejad, Pegah [Department of Chemical Enginee↗

Interpreting Mass and Radius Measurements of Neutron Stars with Dark Matter Halos

Abstract The high densities of neutron stars (NSs) could provide astrophysical locations for dark matter (DM) to accumulate. Depending on the DM model, these DM admixed NSs (DANSs) could have significantly different properties than pure baryonic NSs, accessible through X-ray observations of rotation-powered pulsars. We adopt the two-fluid formalism in general relativity to numerically simulate stable configurations of DANSs, assuming a fermionic equation of state (EOS) for the DM with repulsive self-interaction. The distribution of DM in the DANS as a halo affects the path of X-rays emitted from hot spots on the visible baryonic surface, causing notable changes in the pulse profile observed by telescopes such as NICER, compared to pure baryonic NSs. We explore how various DM models affect the DM mass distribution, leading to different types of dark halos. We quantify the deviation in observed X-ray flux from stars with each of these halos. We identify the pitfalls in interpreting mass and radius measurements of NSs inferred from electromagnetic radiation and constraining the baryonic matter EOS if these dark halos exist.

Shawqi, Shafayat (ORCID:0000000210956183)↗

Interpreting Transformers for Jet Tagging

Machine learning (ML) algorithms, particularly attention-based transformer models, have become indispensable for analyzing the vast data generated by particle physics experiments like ATLAS and CMS at the CERN LHC. Particle Transformer (ParT), a state-of-the-art model, leverages particle-level attention to improve jet-tagging tasks, which are critical for identifying particles resulting from proton collisions. This study focuses on interpreting ParT by analyzing attention heat maps and particle-pair correlations on the $\eta$-$\phi$ plane, revealing a binary attention pattern where each particle attends to at most one other particle. At the same time, we observe that ParT shows varying focus on important particles and subjets depending on decay, indicating that the model learns traditional jet substructure observables. These insights enhance our understanding of the model's internal workings and learning process, offering potential avenues for improving the efficiency of transformer architectures in future high-energy physics applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

$B\rightarrow D^{(*)}$ decays from $N_f=2+1+1$ highly improved staggered quarks and clover $b$-quark in the Fermilab interpretation

We present an update on the analysis of semileptonic $B\rightarrow D^{(*)}$ decays at non-zero recoil. Our computation employs $2 + 1 + 1$ FNAL-MILC ensembles with highly improved staggered quark (HISQ) action for sea and light valence quarks, while the bottom quark is treated using the clover action in the Fermilab interpretation. Simulations are performed across several lattice spacings, ranging approximately from $\sim 0.15$ fm to $\sim 0.06$ fm, and for various quark masses. We will present an overview of the analysis and show some preliminary results for the form factors.

DeTar, Carleton [Utah U.] (ORCID:0000000202166771)↗

Combination and interpretation of differential Higgs boson production cross sections in proton-proton collisions at $ \sqrt{s}=13 $ TeV

Precision measurements of Higgs boson differential production cross sections are a key tool to probe the properties of the Higgs boson and test the standard model. New physics can affect both Higgs boson production and decay, leading to deviations from the distributions that are expected in the standard model. In this paper, combined measurements of differential spectra in a fiducial region matching the experimental selections are performed, based on analyses of four Higgs boson decay channels (γγ, ZZ$^{(*)}$, WW$^{(*)}$, and ττ) using proton-proton collision data recorded with the CMS detector at $ \sqrt{s}=13 $ TeV, corresponding to an integrated luminosity of 138 fb$^{−1}$. The differential measurements are extrapolated to the full phase space and combined to provide the differential spectra. A measurement of the total Higgs boson production cross section is also performed using the γγ and ZZ decay channels, with a result of $ {53.4}_{-2.9}^{+2.9}{\left(\textrm{stat}\right)}_{-1.8}^{+1.9}\left(\textrm{syst}\right) $ pb, consistent with the standard model prediction of 55.6 ± 2.5 pb. The fiducial measurements are used to compute limits on Higgs boson couplings using the κ-framework and the SM effective field theory.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measurement and effective field theory interpretation of the photon-fusion production cross section of a pair of W bosons in proton-proton collisions at $\sqrt{s}=13 $ TeV

This analysis presents an observation of the photon-fusion production of W boson pairs using the CMS detector at the LHC. The total cross section of the W + W − production in photon fusion is measured using proton-proton collision data with an integrated luminosity of 138 fb −1 collected with the CMS detector in 2016–2018 at a center-of-mass energy of $\sqrt{s}=13 $ TeV. Events are selected in the final state with one isolated electron and one isolated muon, and no additional tracks associated with the electron-muon production vertex. The total and fiducial production cross sections are 643$^{+82}_{–78}$ fb and 3.96$^{+0.53}_{–0.51}$ fb, respectively, in agreement with the standard model predictions of 631 ± 126 fb and 3.87 ± 0.77 fb. This agreement enables stringent constraints on anomalous quartic gauge couplings within a dimension-8 effective field theory framework.

Hadron-Hadron Scattering↗

Interpreting test temperature and loading rate effects on the fracture toughness of polymer-metal interfaces via time–temperature superposition

Here, in this letter, we present interfacial fracture toughness data for a polymer-metal interface where tests were conducted at various test temperatures T and loading rates $\dot{δ}$. An adhesively bonded asymmetric double cantilever beam (ADCB) specimen was utilized to measure toughness. ADCB specimens were created by bonding a thinner, upper adherend to a thicker, lower adherend (both 6061 T6 aluminum) using a thin layer of epoxy adhesive, such that the crack propagated along the interface between the thinner adherend and the epoxy layer. The specimens were tested at T from 25 to 65 °C and $\dot{δ}$ from 0.002 to 0.2 mm/s. The measured interfacial toughness Γ increased as both T and $\dot{δ}$ increased. For an ADCB specimen loaded at a constant $\dot{δ}$, the energy release rate G increases as the crack length a increases. For this reason, we defined rate effects in terms of the rate of change in the energy release rate $\dot{G}$. Although not rigorously correct, a formal application of time–temperature superposition (TTS) analysis to the Γ data provided useful insights on the observed dependencies. In the TTS-shifted data, Γ decreased and then increased for monotonically increasing $\dot{G}$. Thus, the TTS analysis suggests that there is a minimum value of Γ. This minimum value could be used to define a lower bound in Γ when designing critical engineering applications that are subjected to T and $\dot{δ}$ excursions.

36 MATERIALS SCIENCE↗

Model ages of three uranium metal CRMs and implications for radiochronometry data interpretation

In this study, we report 230 Th/ 234 U and 231 Pa/ 235 U model ages in three uranium metal certified reference materials with distinct production histories and isotopic compositions ranging from depleted to highly enriched (CRMs 112-A, 115, and 116-A). Here, our results provide the first model age values for these materials using multiple radiochronometers, which can be used as reference values for quality control of radiochronometry measurements performed during nuclear forensic investigations. Furthermore, we evaluate the model ages in the context of available production records for the materials, which provides insight into the processes that may impact radiochronometry systems during uranium metal production.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Enhancing Interpretability in Generative Modeling: Statistically Disentangled Latent Spaces Guided by Generative Factors in Scientific Datasets

This study addresses the challenge of statistically extracting generative factors from complex, high-dimensional datasets in unsupervised or semi-supervised settings. We investigate encoder-decoder-based generative models for nonlinear dimensionality reduction, focusing on disentangling low-dimensional latent variables corresponding to independent physical factors. Introducing Aux-VAE, a novel architecture within the classical Variational Autoencoder framework, we achieve disentanglement with minimal modifications to the standard VAE loss function by leveraging prior statistical knowledge through auxiliary variables. These variables guide the shaping of the latent space by aligning latent factors with learned auxiliary variables. We validate the efficacy of Aux-VAE through comparative assessments on multiple datasets, including astronomical simulations.

97 MATHEMATICS AND COMPUTING↗

Bayesian SegNet for Semantic Segmentation with Improved Interpretation of Microstructural Evolution During Irradiation of Materials

Understanding the relationship between the evolution of microstructures of irradiated LiAlO2pellets and tritium diffusion, retention and release could improve predictions of tritium performance. Given expert-labeled segmented images of irradiated and unirradiated pellets, we trained Deep Convolutional Neural Networks to segment images into defect, grain, and boundary classes. Qualitative microstructural information was calculated from these segmented images to facilitate the comparison of unirradiated and irradiated pellets. We tested modifications to improve the sensitivity of the model, including incorporating meta-data into the model and utilizing uncertainty quantification. The predicted segmentation was similar to the expert-labeled segmentation for most methods of microstructural qualification, including pixel proportion, defect area, and defect density. Overall, the high performance metrics for the best models for both irradiated and unirradiated images shows that utilizing neural network models is a viable alternative to expert-labeled images.

Oostrom, Marjolein T.↗