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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era

Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era. This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. Further, it first reviews the basic concepts of data, information, knowledge, database, and database system as well as the pros and cons in different types of data management and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and, furthermore, provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Meta-optic accelerators for object classifiers

Rapid advances in deep learning have led to paradigm shifts in a number of fields, from medical image analysis to autonomous systems. These advances, however, have resulted in digital neural networks with large computational requirements, resulting in high energy consumption and limitations in real-time decision-making when computation resources are limited. Here, we demonstrate a meta-optic–based neural network accelerator that can off-load computationally expensive convolution operations into high-speed and low-power optics. In this architecture, metasurfaces enable both spatial multiplexing and additional information channels, such as polarization, in object classification. End-to-end design is used to co-optimize the optical and digital systems, resulting in a robust classifier that achieves 93.1% accurate classification of handwriting digits and 93.8% accuracy in classifying both the digit and its polarization state. This approach could enable compact, high-speed, and low-power image and information processing systems for a wide range of applications in machine vision and artificial intelligence.

42 ENGINEERING↗
DOE OSTI2022

Quantum advantage in learning from experiments

Quantum technology promises to revolutionize how we learn about the physical world. An experiment that processes quantum data with a quantum computer could have substantial advantages over conventional experiments in which quantum states are measured and outcomes are processed with a classical computer. We proved that quantum machines could learn from exponentially fewer experiments than the number required by conventional experiments. This exponential advantage is shown for predicting properties of physical systems, performing quantum principal component analysis, and learning about physical dynamics. Furthermore, the quantum resources needed for achieving an exponential advantage are quite modest in some cases. Conducting experiments with 40 superconducting qubits and 1300 quantum gates, we demonstrated that a substantial quantum advantage is possible with today’s quantum processors.

Science & Technology - Other Topics↗
DOE OSTI2021

High Entropy Analysis Code

This code describes the process to estimate material properties using elemental properties and machine learning.

Kunz, MatthewR↗
DOE OSTI2022

Fusion RF Modeling Machine Learning (FusionML_RF) v1.0

FusionML_RF consists of multiple codes and trained machine learning (ML) models that perform low-cost output modeling from the Genray-CQL3D. Three machine learning techniques (multilayer perceptron, random forest, and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. For example, completing a single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time. On the other hand, these ML models achieve ~ms of inference time with high accuracy across the input parameter space. This software collection consists of multiple components. (1) codes that use ML methods and precomputed Genray-CQL3D simulation output to build regression models that enable approximate computations of Genray-CLQ3D outputs from arbitrary but physically meaningful input parameters (surrogate modeling); (2) three trained models created by the team, using a database of 16,000+ GENRAY/CQL3D simulations, to study the performance of ML models for surrogate modeling; (3) codes that load the trained models and simulation data, and then compute mean squared error between the models' predictions and the ground truth of simulation output data. This collection is being made available in conjunction with a scientific publication about the work to promote reusability and provide an artifact of the scientific work.

Bai, Zhe↗
DOE OSTI2021

High-throughput virtual laboratory for drug discovery using massive datasets

Time-to-solution for structure-based screening of massive chemical databases for COVID-19 drug discovery has been decreased by an order of magnitude, and a virtual laboratory has been deployed at scale on up to 27,612 GPUs on the Summit supercomputer, allowing an average molecular docking of 19,028 compounds per second. Over one billion compounds were docked to two SARS-CoV-2 protein structures with full optimization of ligand position and 20 poses per docking, each in under 24 hours. GPU acceleration and high-throughput optimizations of the docking program produced 350× mean speedup over the CPU version (50× speedup per node). GPU acceleration of both feature calculation for machine-learning based scoring and distributed database queries reduced processing of the 2.4 TB output by orders of magnitude. The resulting 50× speedup for the full pipeline reduces an initial 43 day runtime to 21 hours per protein for providing high-scoring compounds to experimental collaborators for validation assays.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Fine-tuning TrailMap: The utility of transfer learning to improve the performance of deep learning in axon segmentation of light-sheet microscopy images

Light-sheet microscopy has made possible the 3D imaging of both fixed and live biological tissue, with samples as large as the entire mouse brain. However, segmentation and quantification of that data remains a time-consuming manual undertaking. Machine learning methods promise the possibility of automating this process. This study seeks to advance the performance of prior models through optimizing transfer learning. We fine-tuned the existing TrailMap model using expert-labeled data from noradrenergic axonal structures in the mouse brain. By changing the cross-entropy weights and using augmentation, we demonstrate a generally improved adjusted F1-score over using the originally trained TrailMap model within our test datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

CalderaCast Web Interface

CalderaCast may be accessed as a web-based tool at the first link in the references section of this dataset. All of the necessary datasets to run the tool are built into the simulation software running behind the web interface. These input datasets are referenced by the additional links in the references section below. Many of those datasets are taken into machine-learning algorithms by the Caldera team and heavily processed to create internal datasets, which are then relied upon by the simulation to produce individual results. These internal datasets are not accessible and are not necessary for use of the CalderaCast tool.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Material Characterization for Large Scale Additive Manufacturing (AM)

The objective of this project was to enable prediction of residual stresses and warpage for extrusion deposition additive manufacturing (EDAM) fabricated carbon fiber thermoplastic matrix parts with three different materials systems produced by Techmer. The materials selected include Polyphenylene sulfide reinforced with 50% by weight of carbon fiber (CF-PPS), Polyethersulfone reinforced with 25% by weight of carbon fiber (CF-PESU), Polysulfone reinforced with 25% by weight of carbon fiber (CF-PSU). ADDITIVE3D © , a physics-based simulation workflow for EDAM, provided the simulation capabilities required for this project. Simulation predictions were validated against measurements carried out during and after the printing process carried out in the CAMRI and LSAM systems . Predictions for temperature, degree of crystallinity and deformation were carried out for the three material systems and two different geometries. Predictions for temperature were correlated very well with the experimental measurements for the two geometries printed using the three-material systems. The crystallinity level was verified for CF-PPS. The predictions for part deformation were in good agreement with the experimental measurements. In the best-case, predictions were within 8% of the maximum displacement observed in the 3-direction whereas predictions were within 14% for the worst-case. The adoption of this technology in commercial large-scale EDAM production processes would dramatically reduce the costs associated with producing articles by that process. Many thousands of dollars in materials, energy, and machine time could be saved by utilizing this simulation technology to develop articles rather than iterative printings to arrive at the optimal or correct design. The avoidance of a single failed print has the possibility of saving tens of thousands of dollars involved in the cost of material, machine and operators’ time.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Portals 4.3 Network Programming Interface

This report presents a specification for the Portals 4 network programming interface. Portals 4 is intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Portals 4 is well suited to massively parallel processing and embedded systems. Portals 4 represents an adaption of the data movement layer developed for massively parallel processing platforms, such as the 4500-node Intel TeraFLOPS machine. Sandia's Cplant cluster project motivated the development of Version 3.0, which was later extended to Version 3.3 as part of the Cray Red Storm machine and XT line. Version 4 is targeted to the next generation of machines employing advanced network interface architectures that support enhanced offload capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Exploring uranium oxidation in glue vapor to help avoid catastrophic slivers on NIF targets

Depleted uranium (DU) hohlraums are utilized for indirect drive fusion experiments at Lawrence Livermore National Laboratory. The production process for DU hohlraums is intricate, involving complex sputtering, machining, and leaching techniques. Achieving low-stress and defect-free hohlraums presents significant challenges. Recent failures have revealed that some uranium flakes, known as slivers, detach from the diagnostic windows and fall onto the capsule. These catastrophic failures were observed only after target assembly, leading to the hypothesis that oxidation of the DU by glue vapor might be the cause. A study investigating the impact of glue vapor on DU hohlraums found that spallation occurred in three out of seven sample hohlraums after three weeks. The slivers observed in these samples were consistent with those seen in assembled targets. This marks the first experimental reproduction of such catastrophic slivering failures. Consequently, future studies can now focus on sliver mitigation and the precise diagnosis of the failure mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

UN Synthesis, Fabrication, and Characterization and UC Oxidation Study in support of Advanced LEU Fuel Concepts

Uranium nitride and carbide-based fuels are proposed for use in advanced LEU fuel systems. This report details recent development work to study synthesis, sintering and fabrication methods for single phase UN in monolithic geometries. These samples were intended to support a variety of irradiation testing conditions by tailoring enrichment, geometry, and compositional requirements. Two methods were under evaluation for synthesizing uranium nitride powder – carbothermic reduction-nitridation (CTR-N) of UO 2 powder feedstock and hydride-dehydride/nitridation (HDN) of uranium metal feedstock. Pellets were fabricated from powder feedstocks via conventional pressing and sintering methods. As-fabricated feedstocks and pellets were evaluated via X-ray diffraction (XRD) for phase purity and sintered materials were characterized for density. Both the CTR N and the HDN methods were successfully demonstrated as an effective process for fabricating phase pure UN. Additionally, results from machining efforts for UN are detailed. This report also contains information on a study trying to elucidate the oxidation mechanisms of sintered uranium carbide samples fabricated from feedstock synthesized via an arc-melting method.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era

Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era.This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. It first reviews the basic concepts of data, information, knowledge, database, and database system; as well as the pros and cons in different types of data management, and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and furthermore provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.

Ren, Weiju↗
DOE OSTI2026

Continental-Scale Controls on Hyporheic Respiration Revealed by Knowledge-Guided Machine Learning

Hyporheic zone sediments regulate organic matter turnover and in-stream respiration, yet controls on sediment respiration remain poorly constrained across heterogeneous river networks, limiting prediction of stream metabolism and carbon processing at continental scales. Here, we integrate observations from ~90 river corridors across the United States in the WHONDRS consortium with a knowledge-guided machine learning (KGML) framework that couples thermodynamic rate theory with machine learning to identify dominant controls on hyporheic respiration. Diagnostic analyses show that organic matter concentration and thermodynamic favorability define an upper bound on respiration potential, whereas biological catalytic capacity and physical accessibility jointly govern realized respiration rates through interaction effects. To represent unmeasurable accessibility constraints, we use the mechanistic model as a scaffold for KGML, allowing machine learning to target residual structure not explained by process theory. This hybrid framework improves predictive skill relative to both the mechanistic model alone and fully data-driven models while preserving interpretability. These results indicate that variability in hyporheic respiration is largely mechanistically structured and demonstrate how integrating process theory with explainable AI enhances predictive performance while enabling scalable synthesis of river corridor observations.

Zheng, Jianqiu↗
DOE OSTI2021

A Cyber-Physical Anomaly Detection for Wide-Area Protection Using Machine Learning

Wide-area protection scheme (WAPS) provides system-wide protection by detecting and mitigating small and large-scale disturbances that are difficult to resolve using local protection schemes. As this protection scheme is evolving from a substation-based distributed remedial action scheme (DRAS) to the control center-based centralized RAS (CRAS), it presents severe challenges to their cybersecurity because of its heavy reliance on an insecure grid communication, and its compromise would lead to system failure. This article presents an architecture and methodology for developing a cyber-physical anomaly detection system (CPADS) that utilizes synchrophasor measurements and properties of network packets to detect data integrity and communication failure attacks on measurement and control signals in CRAS. The proposed machine leaning-based methodology applies a rules-based approach to select relevant input features, utilizes variational mode decomposition (VMD) and decision tree (DT) algorithms to develop multiple classification models, and performs final event identification using a rules-based decision logic. Here, we have evaluated the proposed methodology of CPADS using the IEEE 39 bus system for several performance measures (accuracy, recall, precision, and F-measure) in a cyber-physical testbed environment. Furthermore, our experimental results reveal that the proposed algorithm (VMD-DT) of CPADS outperforms the existing machine learning classifiers during noisy and noise-free measurements while incurring an acceptable processing overhead.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Root identification in minirhizotron imagery with multiple instance learning

In this study, multiple instance learning (MIL) algorithms to automatically perform root detection and segmentation in minirhizotron imagery using only image-level labels are proposed. Root and soil characteristics vary from location to location, and thus, supervised machine learning approaches that are trained with local data provide the best ability to identify and segment roots in minirhizotron imagery. However, labeling roots for training data (or otherwise) is an extremely tedious and time-consuming task. This paper aims to address this problem by labeling data at the image level (rather than the individual root or root pixel level) and train algorithms to perform individual root pixel level segmentation using MIL strategies. Three MIL methods (multiple instance adaptive cosine coherence estimator, multiple instance support vector machine, multiple instance learning with randomized trees) were applied to root detection and compared to non-MIL approaches. The results show that MIL methods improve root segmentation in challenging minirhizotron imagery and reduce the labeling burden. In our results, multiple instance support vector machine outperformed other methods. The multiple instance adaptive cosine coherence estimator algorithm was a close second with an added advantage that it learned an interpretable root signature which identified the traits used to distinguish roots from soil and did not require parameter selection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Machine learning-powered data cleaning for LEGEND: a semi-supervised approach using affinity propagation and support vector machines

Neutrinoless double-beta decay ($0\nu\beta\beta$) is a rare nuclear process that, if observed, will provide insight into the nature of neutrinos and help explain the matter-antimatter asymmetry in the Universe. The large enriched germanium experiment for neutrinoless double-beta decay (LEGEND) will operate in two phases to search for $0\nu\beta\beta$. The first (second) stage will employ 200 (1000) kg of High-Purity Germanium (HPGe) enriched in 76 Ge to achieve a half-life sensitivity of 10 27 (10 28 ) years. In this study, we present a semi-supervised data-driven approach to remove non-physical events captured by HPGe detectors powered by a novel artificial intelligence model. We utilize affinity propagation to cluster waveform signals based on their shape and a support vector machine to classify them into different categories. We train, optimize, and test our model on data taken from a natural abundance HPGe detector installed in the Full Chain Test experimental stand at the University of North Carolina at Chapel Hill. We demonstrate that our model yields a maximum sacrifice of physics events of $0.024 ^{+0.004}_{-0.003} \%$ after data cleaning. Our model is being used to accelerate data cleaning development for LEGEND-200 and will serve to improve data cleaning procedures for LEGEND-1000.

artificial intelligence↗