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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

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.↗
DOE OSTI2023

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↗
DOE OSTI2026

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)↗
NASA NTRSDate not supplied

Sonic Boom Ground Noise Minimization Via the Adjoint Method

A multidisciplinary design optimization methodology to directly minimize the ground-level noise generated by the sonic boom of a high altitude supersonic body is presented. A Cartesian Euler flow solver is coupled with an atmospheric propagation tool to create a ground-noise analysis capability for supersonic bodies. Adjoint formulations for both the flow solver and propagation tool are also coupled to compute sensitivities of shape variations in the body in a highly efficient manner. A gradient-based optimizer is then introduced to forge a valuable design capability. Output-based mesh adaptation that is driven directly by ground-level noise is employed to increase accuracy and provide error estimation. The design method is demonstrated first on a simple axisymmetric body with few design variables to evaluate the efficacy of the optimization scheme. Guided by the results of this initial case, the problem is then repeated with somewhat different design variables to further demonstrate the capabilities of the design method. Finally, the method is applied to a real-world problem by optimizing control surface deflection settings of a low-boom aircraft to minimize ground noise while maintaining trimmed, level flight.

ARMD↗
NASA NTRS2000

Advancement of Bi-Level Integrated System Synthesis (BLISS)

Bi-Level Integrated System Synthesis (BLISS) is a method for optimization of an engineering system, e.g., an aerospace vehicle. BLISS consists of optimizations at the subsystem (module) and system levels to divide the overall large optimization task into sets of smaller ones that can be executed concurrently. In the initial version of BLISS that was introduced and documented in previous publications, analysis in the modules was kept at the early conceptual design level. This paper reports on the next step in the BLISS development in which the fidelity of the aerodynamic drag and structural stress and displacement analyses were upgraded while the method's satisfactory convergence rate was retained.

Sobieszczanski-Sobieski, J.↗
NASA NTRS2000

Advancement of Bi-Level Integrated System Synthesis (BLISS)

Bi-Level Integrated System Synthesis (BLISS) is a method for optimization of an engineering system, e.g., an aerospace vehicle. BLISS consists of optimizations at the subsystem (module) and system levels to divide the overall large optimization task into sets of smaller ones that can be executed concurrently. In the initial version of BLISS that was introduced and documented in previous publications, analysis in the modules was kept at the early conceptual design level. This paper reports on the next step in the BLISS development in which the fidelity of the aerodynamic drag and structural stress and displacement analyses were upgraded while the method's satisfactory convergence rate was retained.

Sobieszczanski-Sobieski, Jaroslaw↗
NASA NTRS2000

Advancement of Bi-Level Integrated System Synthesis (BLISS)

Bi-Level Integrated System Synthesis (BLISS) is a method for optimization of an engineering system, e.g., an aerospace vehicle. BLISS consists of optimizations at the subsystem (module) and system levels to divide the overall large optimization task into sets of smaller ones that can be executed concurrently. In the initial version of BLISS that was introduced and documented in previous publications, analysis in the modules was kept at the early conceptual design level. This paper reports on the next step in the BLISS development in which the fidelity of the aerodynamic drag and structural stress and displacement analyses were upgraded while the method's satisfactory convergence rate was retained.

Sobieszczanski-Sobieski, Jaroslaw↗
DOE OSTI2017

Understanding the many-body expansion for large systems. III. Critical role of four-body terms, counterpoise corrections, and cutoffs

Papers I and II in this series [R. M. Richard et al., J. Chem. Phys. 141, 014108 (2014); K. U. Lao et al., ibid. 144, 164105 (2016)] have attempted to shed light on precision and accuracy issues affecting the many-body expansion (MBE), which only manifest in larger systems and thus have received scant attention in the literature. Many-body counterpoise (CP) corrections are shown to accelerate convergence of the MBE, which otherwise suffers from a mismatch between how basis-set superposition error affects subsystem versus supersystem calculations. In water clusters ranging in size up to (H2O)37, four-body terms prove necessary to achieve accurate results for both total interaction energies and relative isomer energies, but the sheer number of tetramers makes the use of cutoff schemes essential. To predict relative energies of (H2O)20 isomers, two approximations based on a lower level of theory are introduced and an ONIOM-type procedure is found to be very well converged with respect to the appropriate MBE benchmark, namely, a CP-corrected supersystem calculation at the same level of theory. Results using an energy-based cutoff scheme suggest that if reasonable approximations to the subsystem energies are available (based on classical multipoles, say), then the number of requisite subsystem calculations can be reduced even more dramatically than when distance-based thresholds are employed. The end result is several accurate four-body methods that do not require charge embedding, and which are stable in large basis sets such as aug-cc-pVTZ that have sometimes proven problematic for fragment-based quantum chemistry methods. Even with aggressive thresholding, however, the four-body approach at the self-consistent field level still requires roughly ten times more processors to outmatch the performance of the corresponding supersystem calculation, in test cases involving 1500–1800 basis functions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

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↗
DOE OSTI2020

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↗
DOE OSTI2025

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↗
DOE OSTI2024

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 ↗
NASA NTRS2004

A Web Centric Architecture for Deploying Multi-Disciplinary Engineering Design Processes

There are continuous needs for engineering organizations to improve their design process. Current state of the art techniques use computational simulations to predict design performance, and optimize it through advanced design methods. These tools have been used mostly by individual engineers. This paper presents an architecture for achieving results at an organization level beyond individual level. The next set of gains in process improvement will come from improving the effective use of computers and software within a whole organization, not just for an individual. The architecture takes advantage of state of the art capabilities to produce a Web based system to carry engineering design into the future. To illustrate deployment of the architecture, a case study for implementing advanced multidisciplinary design optimization processes such as Bi-Level Integrated System Synthesis is discussed. Another example for rolling-out a design process for Design for Six Sigma is also described. Each example explains how an organization can effectively infuse engineering practice with new design methods and retain the knowledge over time.

Woyak, Scott↗
DOE OSTI2019

Direct evaluation of dynamical large-deviation rate functions using a variational ansatz

We describe a simple form of importance sampling designed to bound and compute large-deviation rate functions for time-extensive dynamical observables in continuous-time Markov chains. We start with a model, defined by a set of rates, and a time-extensive dynamical observable. We construct a reference model, a variational ansatz for the behavior of the original model conditioned on atypical values of the observable. Direct simulation of the reference model provides an upper bound on the large-deviation rate function associated with the original model, an estimate of the tightness of the bound, and, if the ansatz is chosen well, the exact rate function. The exact rare behavior of the original model does not need to be known in advance. We use this method to calculate rate functions for currents and counting observables in a set of network- and lattice models taken from the literature. Straightforward ansätze yield bounds that are tighter than bounds obtained from Level 2.5 of large deviations via approximations that involve uniform scalings of rates. Here, we show how to correct these bounds in order to recover the rate functions exactly. Our approach is complementary to more specialized methods and offers a physically transparent framework for approximating and calculating the likelihood of dynamical large deviations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Confidence-Based Feature Acquisition

Confidence-based Feature Acquisition (CFA) is a novel, supervised learning method for acquiring missing feature values when there is missing data at both training (learning) and test (deployment) time. To train a machine learning classifier, data is encoded with a series of input features describing each item. In some applications, the training data may have missing values for some of the features, which can be acquired at a given cost. A relevant JPL example is that of the Mars rover exploration in which the features are obtained from a variety of different instruments, with different power consumption and integration time costs. The challenge is to decide which features will lead to increased classification performance and are therefore worth acquiring (paying the cost). To solve this problem, CFA, which is made up of two algorithms (CFA-train and CFA-predict), has been designed to greedily minimize total acquisition cost (during training and testing) while aiming for a specific accuracy level (specified as a confidence threshold). With this method, it is assumed that there is a nonempty subset of features that are free; that is, every instance in the data set includes these features initially for zero cost. It is also assumed that the feature acquisition (FA) cost associated with each feature is known in advance, and that the FA cost for a given feature is the same for all instances. Finally, CFA requires that the base-level classifiers produce not only a classification, but also a confidence (or posterior probability).

Wagstaff, Kiri L.↗
DOE OSTI2020

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↗
DOE OSTI2023

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↗
NASA NTRSDate not supplied

Generating Essential Climate Variables from Multiple Satellite Hyperspectral Remote Sensors

Hyperspectral observations from satellite-based sensors provide high information content for the Earth’s atmospheric and surface properties. Traditionally, long-term climate products are derived by performing spatial and temporal averaging of level-2 satellite products. There are two shortcomings of this approach. First, it is a time-consuming process to generate level-2 data products since modern hyperspectral satellite sensors have millions of observations each day with thousands of spectral channels for each observation. Secondly, differences in level-2 retrieval algorithms can lead to errors in the fused multi-satellite data. We have developed a radiometrically consistent spectral fingerprinting method, which overcomes the above-mentioned shortcomings, to derive climate change signals from multiple satellite sensors using spatiotemporally averaged level-1 data. We have applied this method to data collected from Atmospheric Infrared Sounder (AIRS) on Aqua satellite and Cross-track Infrared Sounder (CrIS) on SNPP and NOAA20 and generated decade-long climate data records for atmospheric temperature, water vapor, cloud, trace gases, and surface skin temperature. A key component to this work is a set of observational-based radiative kernels produced from CrIS level-1 data using a single field of view (SFOV) optimal estimation retrieval algorithm. Only limited CrIS level-1 data (e.g., 1-2 years of data) are needed to the derive radiative kernels. Our Principal Component-based Radiative Model (PCRTM) enables us to perform SFOV retrievals under all sky conditions and provides radiative kernels (including those for clouds) needed by the spectral fingerprinting method. In this presentation, we will describe the basic methodology, the details of the algorithm, and results from NASA Aqua AIRS and Suomi-NPP CrIS data. The method can be applied to study future hyperspectral remote sensors such as CLARREO (Climate Absolute Radiance and Refractivity Observatory) Pathfinder (CPF), Tropospheric Emissions: Monitoring of Pollution (TEMPO), Surface Biology and Geology (SBG), Atmosphere Observing System (AOS).

Xu Liu↗