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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

Calculating the grain boundary inclination of voxelated grain structures using a smoothing algorithm

We have developed a flexible method for calculating the grain boundary (GB) inclinations of voxelated grain structure data using smoothing algorithms. We compared the performance of four algorithms: the linear interpolation, Allen–Cahn, level-set, and vertex algorithms. We assessed their accuracy using 2D and 3D cases with known inclinations. The vertex algorithm provided the best balance between accuracy and efficiency for 2D structures while the linear interpolation algorithm provided the best balance for 3D structures. We compared the GB inclinations calculated using our smoothing method on a 3D high energy X-ray diffraction microscopy (HEDM) dataset to those determined by meshing the GBs. The two approaches determined similar GB plane distributions, though they varied significantly at triple junctions. In conclusion, the smoothing method was demonstrated for two sources of 3D voxelated grain structures: HEDM data and results from Monte Carlo Potts grain growth simulations.

36 MATERIALS SCIENCE↗

Beyond pinball loss: Quantile methods for calibrated uncertainty quantification

Amongthemanywaysofquantifying uncertainty in a regression setting, specifying the full quantile function is attractive, as quantiles are amenable to interpretation and evaluation. A model that predicts the true conditional quantiles for each input, at all quantile levels, presents a correct and efficient representation of the underlying uncertainty. To achieve this, many current quantile-based methods focus on optimizing the pinball loss. However, this loss restricts the scope of applicable regression models, limits the ability to target many desirable properties (e.g. calibration, sharpness, centered intervals), and may produce poor conditional quantiles. In this work, we develop new quantile methods that address these shortcomings. In particular, we propose methods that can apply to any class of regression model, select an explicit balance between calibration and sharpness, optimize for calibration of centered intervals, and produce more accurate conditional quantiles. We provide a thorough experimental evaluation of our methods, which includes a high dimensional uncertainty quantification task in nuclear fusion.

97 MATHEMATICS AND COMPUTING↗

Iterative Linearization for Phasor-Defined Optimal Power Dispatch

Optimal power flow (OPF) problems, which dispatch power targets to controllable generating units across a network, must generally account for non-convex constraints on power flow. Furthermore, adapting those problems so as to make them solvable with convex optimization techniques is an area of much academic and operational interest. In this paper, we present a method for solving OPF as a quadratic program by iteratively refining and re-initializing a linearized model of power flow based on the outputs of an associated nonlinear solver. The linear model on which we demonstrate this method is an adapted version of an approximation designed for use with unbalanced distribution networks. As an important benefit, the model allows for the explicit inclusion of nodal voltage phasor values in both the OPF problem's objective and its constraints, which opens the door to the idea of phasor-based control (PBC) design. We show in simulations on the IEEE 13-node test feeder that our method quickly converges to a set of phasor targets that are sufficiently precise for use in operations at the distribution level.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Artificial Intelligence Benchmarking

AI benchmarking is a method for evaluating the effectiveness of an AI model using a set of standardized metrics, for example, high school-level math exams. These benchmarks and their results will enable ranking various AI models based on their effectiveness in performing a specific task.

Krishnan, Anjay [Fermilab]↗

Non-Gaussian estimates of tensions in cosmological parameters

We discuss how to efficiently and reliably estimate the level of agreement and disagreement on parameter determinations from different experiments, fully taking into account non-Gaussianities in the parameter posteriors. We develop two families of scalable algorithms that allow us to perform this type of calculations in increasing number of dimensions and for different levels of tensions. One family of algorithms rely on kernel density estimates of posterior distributions while the other relies on machine learning modeling of the posterior distribution with normalizing flows. We showcase their effectiveness and accuracy with a set of benchmark examples and find both methods agree with each other and the true tension within 0.5σ in difficult cases and generally to 0.2σ or better. This allows us to study the level of internal agreement between different measurements of the clustering of cosmological structures from the Dark Energy Survey and their agreement with measurements of the Cosmic Microwave Background from the Planck satellite.

79 ASTRONOMY AND ASTROPHYSICS↗

Bias-Adjustment Methods for Future Subdaily Precipitation Extremes Consistent Across Durations

Model output from climate projections often requires bias-adjustment to compensate for systematic model errors. A bias-adjustment method for extreme precipitation intensity is proposed that preserves the scaling equation for different accumulation levels from hourly to daily, using intensity-duration-frequency (IDF) modeling. A validation is performed within a pseudo-reality setting, based on hourly precipitation from 28 regional climate model projections of the EURO-CORDEX ensemble over Belgium. The scaling-based adjustment methods improve upon previous methods, an optimal method is identified, and, analytical quantile mapping methods must be avoided due to three identified problems. The ensemble mean of the adjusted extreme precipitation intensity obeys the above-mentioned scale-invariance property, which is consistent with observed extreme intensities. We thus show that IDF modeling provides added value in the context of bias-adjustment, and, that the particular IDF model proposed balances well between accuracy and the preservation of desired properties such as scale invariance and consistency among rainfall durations.

54 ENVIRONMENTAL SCIENCES↗

Few-shot leaf segmentation

In this work, we use few-shot learning to segment the body and vein architecture of Populus trichocarpa leaves from high-resolution scans obtained in the UC Davis common garden. Leaf and vein segmentation are formulated as separate tasks, in which convolutional neural networks (CNNs) are used to iteratively expand partial segmentations until reaching stopping criteria. Our leaf and vein segmentation approaches use just 50 and 8 manually traced images for training, respectively, and are applied to a set of 2,634 top and bottom leaf scans. We show that both methods achieve high segmentation accuracy, in some cases exceeding even human-level segmentation. The leaf and vein segmentations are subsequently used to extract 68 morphological traits using traditional open-source image processing tools, which are validated using real-world physical measurements. For a biological perspective, we perform a genome-wide association study using the "vein density" trait to discover novel genetic architectures associated with multiple physiological processes relating to leaf development and function. In addition to sharing all of the few-shot learning code, we are releasing all images, manual segmentations, model predictions, 68 extracted leaf phenotypes, and a new set of SNPs called against the v4 P. trichocarpa genome for 1,419 genotypes.

Lagergren, John [Oak Ridge National Lab. (ORNL), O↗

Hybrid Cyber-attack Detection in Photovoltaic Farms

Here, to address the cyber-physical security in PV farms, a hybrid cyber-attack detection is proposed in this manuscript. To secure PV farms, the proposed method integrates model-based and data-driven methods by fusing the detection score at the device and system levels. First, a model-based cyber-attack detection method is developed for each PV inverter. A residual between the estimation of the Kalman filter and measurement is calculated. By leveraging the calculated residual from all inverters, a squared Mahalanobis distance is developed for device detection score generation. At the system level, a convolutional neural network (CNN) is proposed to detect cyber-attack using the waveform data at the point of common coupling (PCC) in PV farms. To improve the CNN detection accuracy, a set of well-designed features are extracted from the raw waveform data. Finally, a weighted detection score fusion method is proposed to combine device and system detection scores by using their complementary strength. The feasibility and robustness of the proposed method are validated by testing cases and a comparative experiment.

14 SOLAR ENERGY↗

Time delay lens modelling challenge

ABSTRACT In recent years, breakthroughs in methods and data have enabled gravitational time delays to emerge as a very powerful tool to measure the Hubble constant H0. However, published state-of-the-art analyses require of order 1 yr of expert investigator time and up to a million hours of computing time per system. Furthermore, as precision improves, it is crucial to identify and mitigate systematic uncertainties. With this time delay lens modelling challenge, we aim to assess the level of precision and accuracy of the modelling techniques that are currently fast enough to handle of order 50 lenses, via the blind analysis of simulated data sets. The results in Rungs 1 and 2 show that methods that use only the point source positions tend to have lower precision ($10\!-\!20{{\ \rm per\ cent}}$) while remaining accurate. In Rung 2, the methods that exploit the full information of the imaging and kinematic data sets can recover H0 within the target accuracy (|A| < 2 per cent) and precision (<6 per cent per system), even in the presence of a poorly known point spread function and complex source morphology. A post-unblinding analysis of Rung 3 showed the numerical precision of the ray-traced cosmological simulations to be insufficient to test lens modelling methodology at the percent level, making the results difficult to interpret. A new challenge with improved simulations is needed to make further progress in the investigation of systematic uncertainties. For completeness, we present the Rung 3 results in an appendix and use them to discuss various approaches to mitigating against similar subtle data generation effects in future blind challenges.

Ding, X.↗

Supporting information for Few-Shot Learning Enables Population-Scale Analysis of Leaf Traits in Populus trichocarpa

In this work, we use few-shot learning to segment the body and vein architecture of P. trichocarpa leaves from high-resolution scans obtained in the UC Davis common garden. Leaf and vein segmentation are formulated as separate tasks, in which convolutional neural networks (CNNs) are used to iteratively expand partial segmentations until reaching stopping criteria. Our leaf and vein segmentation approaches use just 50 and 8 manually traced images for training, respectively, and are applied to a set of 2,634 top and bottom leaf scans. We show that both methods achieve high segmentation accuracy, in some cases exceeding even human-level segmentation. The leaf and vein segmentations are subsequently used to extract 68 morphological traits using traditional open-source image processing tools, which are validated using real-world physical measurements. For a biological perspective, we perform a genome-wide association study using the vein density trait to discover novel genetic architectures associated with multiple physiological processes relating to leaf development and function. In addition to sharing all of the few-shot learning code (see https://github.com/jlager/few-shot-leaf-segmentation), we are releasing all images, manual segmentations, model predictions, 68 extracted leaf phenotypes, and a new set of SNPs called against the v4 P. trichocarpa genome for 1,419 genotypes. The data folder includes all images, ground truth segmentations, predicted segmentations, and extracted leaf traits. All images encode the sample ID in the file name by indicating the treatment, block, row, position, and leaf side, respectively. For example, the file, C_1_1_2_bot.jpeg, indicates the control treatment, block 1, row 1, position 2, and the bottom side of the leaf. Tabulated results include position IDs as well as the corresponding genotype IDs. The images folder includes the 2,906 high-resolution leaf scans taken in the field. The leaf_masks folder includes 50 ground truth segmentations used for training the leaf tracing algorithm. The leaf_preds folder includes the 2,906 predicted segmentations from the leaf tracing algorithm. The vein_masks folder includes 8 ground truth segmentations used for training the vein growing algorithm. The vein_preds folder includes the 1,453 predicted segmentations from the vein growing algorithm. The vein_probs folder includes the 1,453 predicted probability maps from the vein growing algorithm before thresholding. The genomes folder includes the set of SNPs called against the v4 P. trichocarpa genome for 1,419 genotypes with a README file detailing the steps taken. The results folder includes: (i) raw values of the 68 predicted leaf traits in digital_traits.tsv, (ii) manually measured values of petiole length and width in manual_traits.tsv, (iii) thin plate spline (TPS) adjusted values of the vein density trait in vein_density_tps_adj.tsv, (iv) best linear unbiased prediction (BLUP) adjusted values of the vein density trait in vein_density_blups.tsv, and (v) GWAS results for the vein density trait, including chromosome positions and corresponding P values, in gwas_results.csv.

09 BIOMASS FUELS↗

DP-TwoLevel: two-stage gradient subspace learning for differentially private federated learning

Federated learning (FL) enables collaborative model training across distributed data sources without sharing raw data, but faces fundamental challenges in communication efficiency and privacy. Differentially private (DP) training mitigates information leakage but introduces noise that degrades model performance, especially in high-dimensional settings. We propose DP-TwoLevel, a hierarchical gradient projection method that improves utility under fixed DP constraints by exploiting low-dimensional structure in model updates. Our approach learns a two-level PCA-based representation of gradients and applies DP noise in a reduced-dimensional subspace, thereby lowering the effective noise magnitude while preserving dominant signal components. We evaluate the method across three datasets (MNIST, Fashion-MNIST, CIFAR-10) and three privacy regimes (ϵ∈0.5, 1.0, 2.0). Across nine experimental settings, DP-TwoLevel consistently outperforms DP-FedAvg, achieving an average accuracy improvement of 9.44%, with larger gains observed in lower ϵ(higher-noise) regimes (up to +22.31%). We further analyze scalability across models ranging from 100K to 1.49M parameters and identify a variance-based success criterion: performance remains strong when the projection preserves more than 75% of gradient variance, degrades in a marginal regime (65–75%), and fails below this threshold. Our results demonstrate that structure-aware dimensionality reduction can significantly improve the privacy–utility tradeoff in FL without modifying formal privacy guarantees. We also provide empirical evidence of scaling limitations for global projections and motivate per-layer extensions for larger models.

Kotevska, Olivera [ORNL] (ORCID:0000000316772243)↗

E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials

Abstract This work presents Neural Equivariant Interatomic Potentials (NequIP), an E(3)-equivariant neural network approach for learning interatomic potentials from ab-initio calculations for molecular dynamics simulations. While most contemporary symmetry-aware models use invariant convolutions and only act on scalars, NequIP employs E(3)-equivariant convolutions for interactions of geometric tensors, resulting in a more information-rich and faithful representation of atomic environments. The method achieves state-of-the-art accuracy on a challenging and diverse set of molecules and materials while exhibiting remarkable data efficiency. NequIP outperforms existing models with up to three orders of magnitude fewer training data, challenging the widely held belief that deep neural networks require massive training sets. The high data efficiency of the method allows for the construction of accurate potentials using high-order quantum chemical level of theory as reference and enables high-fidelity molecular dynamics simulations over long time scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Microscopic study of the coupled-wire construction and plausible realization in spin-dependent optical lattices

Coupled-wire constructions offer particularly simple and powerful models to capture the essence of strongly correlated topological phases of matter. They often rely on effective theories valid in the low-energy and strong-coupling limits, which impose severe constraints on the physical systems where they could be realized. In this work, we investigate the microscopic relevance of a class of coupled-wire models and their possible experimental realization in cold-atom experiments. We connect with earlier results and prove the emergence of fractional quantum Hall states in the limit of strong interwire tunneling. Contrary to previous studies relying on renormalization group arguments, our microscopic approach exposes the connection between coupled-wire constructions and model wave functions in continuum Landau levels. Then, we use exact-diagonalization methods to investigate the appearance of these fractional quantum Hall states in more realistic settings. We examine the parameter regimes where these strongly correlated phases arise, and provide a way to detect their appearance in cold-atom experiments through standard time-of-flight measurements. Motivated by this experimental probe, we finally propose a realization of our model with cold atoms in spin-dependent optical lattices. Our estimates show that the previous fractional quantum Hall phases lie within experimentally accessible parameter regimes, giving a viable route toward their experimental study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Application of a Triple Bubbler Inside Molten Salt for Pyroprocessing Safeguards Purposes

The application of a triple bubbler system within molten salt environments, specifically a eutectic mixture of LiCl-KCl, is explored for nuclear safeguards purposes, focusing on nuclear material accountancy (NMA) and holdup accountancy in pyroprocessing techniques. Traditional holdup accountancy methods, which involve periodic sampling and lengthy lead times, are being supplemented by the development of actinide sensors using electrochemistry. However, these methods alone are insufficient to meet regulatory requirements set by agencies like NRC and IAEA. The triple bubbler device measures salt level, density, and surface tension simultaneously using three dip tubes of varying diameters and heights. This study investigates the accuracy and robustness of the triple bubbler in molten salt conditions at temperatures ranging from 450-550°C. The updated bubbler design, utilizing tantalum metal and larger tube geometry, demonstrated minimal plugging and maintained measurement accuracy within acceptable uncertainties: 0.611% for depth, 1.34% for density, and approximately 40% for surface tension. Results indicate that the triple bubbler system is effective for real-time, accurate measurements in pyroprocessing environments, making it a promising tool for ensuring compliance with nuclear safeguards and supporting nuclear non-proliferation efforts.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Innovative approaches to neutron beam optimization: A case study of FP14 at LANSCE

This paper describes an experimental method to acquire high resolution energy- and spatially- resolved neutron beam spots using the time-gated neutron imaging system with Teledyne Pi-MAX4 camera. These experimental data offer a unique opportunity for benchmarking beam spot simulations. High-quality simulations depend significantly on a high-fidelity geometry model, which can be challenging for legacy facilities. We informed our MCNPX geometry model by latest metrology survey employing Leica laser tracker ATS600. It gave us a high fidelity description of our facility geometry. Such a robust integration of novel tools and methods yields a previously unattainable level of accuracy in both predicting and capturing neutron beam spots, marking a notable advancement over traditional methods reliant on static image plates. Here, to demonstrate the practical application of these tools, we are showing a non-uniform beam spot challenge at our Flight Path 14 (FP14) at the Los Alamos Neutron Science Center (LANSCE). Our precise MCNPX prediction of beam spot shifting as function of neutron energy was confirmed by experimental beam spot measured with extremely high level of detail. Results of this research demonstrate a significant leap in neutron beam optimization at LANSCE and set a new benchmark in beam spot characterization. The advanced methods presented here have potential for adoption at similar research facilities worldwide, aiming at substantial improvement in neutron beam delivery for experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Risk Model for EM Decision Support Toolsets

The Government Office of Accountability (GAO) has published several reports identifying the need for the Department of Energy (DOE) Office of Environmental Management (EM) to address mounting costs for DoE's cleanup program. DOEEM could greatly benefit from independent decision tool-sets/models that would allow them to evaluate options and inform business decision at the enterprise level considering site-specific life cycle costs and system plans. Program goals: Develop a tool-set that enables EM to independently evaluate alternatives, assess outcomes from different contracting strategies, and inform critical decisions for the enterprise. Project goals: Adaption of a Risk Model for integration with complimentary tool-sets for project level decision making. Operational Events: Discrete event model that evaluates operational variables (e.g. capacity, throughput, maintenance constraints) and identify bottlenecks. Identifying and Bounding Project Risk: Identify risks that impact confidence in meeting goals (e.g. production). Life cycle Cost: Evaluate impacts of staffing levels, inventory, and capital investments on life cycle costs. Methods and approach: Monte Carlo Analysis is being executed to generate results: Input derives from Risk Register Data; Tied to Projected and Target Schedules; Incorporates float duration within the model. Assumes associated risk mitigation actions being completed within a timeline of five fiscal years. Metrics include: Confidence in Meeting Production Goal; Confidence in Safety Standards; Confidence in Continuous Operation; Other Metrics can be added as appropriate regarding specific site needs. The adapted risk model can be used as a stand alone decision tool or can be integrated complementary tool-sets (i.e. process and cost models) for project-specific decisions. These support tool-sets can then be integrated with others for site- and complex- level evaluations. Future work includes designing an adaptable and modular framework that would allow integration of multiple tool-sets for holistic and/or targeted evaluation of alternative strategies for decision making that could lead to risk and cost reduction across the enterprise.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Comparison of Shape Optimization Methods for Heat Exchanger Fins Using Computational Fluid Dynamics

Inverse design techniques are one way to leverage advances in 3D printing, artificial intelligence, and computational resources to achieve increased performance of heat exchangers. Two optimization techniques (genetic algorithm and particle swarm) and three geometry representations (binary level set, composite Bézier, and free form deformation) are used to increase the heat transfer and reduce the pressure drop of a heat exchanger fin. After running 210,810 OpenFOAM simulations, results indicate that a significant performance increase of the fin can be realized in less than 48 hrs, allowing for such a process to be integrated in traditional design processes. The best design increased the performance of the objective function, compared to the baseline rectangular geometry by 75%. A custom distributed infrastructure was built, allowing for all methods to reach 95% of the final objective values in a little over 4 hrs, handling 1674 OpenFoam simulations per hour.

42 ENGINEERING↗

Revealing Decision Conservativeness Through Inverse Distributionally Robust Optimization

This paper introduces Inverse Distributionally Robust Optimization (I-DRO) as a method to infer the conservativeness level of a decision-maker, represented by the size of a Wasserstein metric-based ambiguity set, from the optimal decisions made using Forward Distributionally Robust Optimization (F-DRO). By leveraging the Karush-Kuhn-Tucker (KKT) conditions of the convex F-DRO model, we formulate I-DRO as a bi-linear program, which can be solved using off-the-shelf optimization solvers. Additionally, this formulation exhibits several advantageous properties. We demonstrate that I-DRO not only guarantees the existence and uniqueness of an optimal solution but also establishes the necessary and sufficient conditions for this optimal solution to accurately match the actual conservativeness level in F-DRO. Furthermore, we identify three extreme scenarios that may impact I-DRO effectiveness. Our case study applies F-DRO for power system scheduling under uncertainty and employs I-DRO to recover the conservativeness level of system operators. Numerical experiments based on an IEEE 5-bus system and a realistic NYISO 11-zone system demonstrate I-DRO performance in both normal and extreme scenarios. An extended version of this paper with additional analyses is available at li2024revealing.

distributionally robust optimization↗