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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FAIR Surrogate Benchmarks Supporting AI and Simulation Research (Final Report)

Computational Science is being revolutionized by integrating AI and simulation and, in particular, by deep learning surrogate models that can replace all or part of traditional large‐scale HPC computations. Such surrogates can achieve remarkable performance improvements, as much as several orders of magnitude, and save both compute time and energy. The Surrogate Benchmark Initiative (SBI) project creates a community repository and FAIR (Findable, Accessible, Interoperable, and Reusable) data ecosystem for HPC application surrogate benchmarks. The SBI team comes from Argonne National Laboratory (ANL), Indiana University (IU), Rutgers University, the University of Tennessee, Knoxville (UTK), and the University of Virginia (UVA). SBI repositories include data, code, and all relevant collateral artifacts that the science and engineering community need to use and reuse these data sets and surrogates. SBI repositories generate active research from both the participants in SBI and the broad community of AI and domain scientists. This project develops surrogates that use several different neural nets to learn and quickly infer the results of simulations and data systems and captures them as surrogate benchmarks with a rich set of metadata covering: Data; Model; Metrics specification; Machine specification; and Science, Speed, and Power Results. We research FAIR metadata for these benchmarks. We develop application surrogate examples as benchmarks across many fields (ANL, UTK, IU, UVA). We also study non-Surrogate benchmarks that have many common features and similar issues as regards FAIRness. We work with MLCommons (UVA, UTK), which is a major machine learning benchmarking activity where we get metadata ontologies, software, and benchmarks, Benchmarks have datasets, models, and metadata and they need a technical framework developed by UTK and Rutgers and deployed by UVA. We study features of Surrogates including performance, training set size, and uncertainty quantification (Rutgers, UVA and IU).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Blind photovoltaic modeling intercomparison: A multidimensional data analysis and lessons learned

The Photovoltaic (PV) Performance Modeling Collaborative (PVPMC) organized a blind PV performance modeling intercomparison to allow PV modelers to blindly test their models and modeling ability against real system data. Measured weather and irradiance data were provided along with detailed descriptions of PV systems from two locations (Albuquerque, New Mexico, USA, and Roskilde, Denmark). Participants were asked to simulate the plane-of-array irradiance, module temperature, and DC power output from six systems and submit their results to Sandia for processing. The results showed overall median mean bias (i.e., the average error per participant) of 0.6% in annual irradiation and –3.3% in annual energy yield. While most PV performance modeling results seem to exhibit higher precision and accuracy as compared to an earlier blind PV modeling study in 2010, human errors, modeling skills, and derates were found to still cause significant errors in the estimates.

14 SOLAR ENERGY↗
DOE OSTI2023

The UCLA Cosmochemistry Database

Abstract The UCLA Cosmochemistry Database was initiated as part of a data-rescue and -storage project aimed at archiving a variety of cosmochemical data acquired at University of California, Los Angeles (UCLA). The data collection includes elemental compositions of extraterrestrial materials analyzed by UCLA cosmochemists over the last five decades. The analytical techniques include atomic absorption spectrometry (AAS) and neutron activation analysis (NAA) at UCLA. The data collection is stored on the Astromaterials Data System (Astromat). We provide both interactive tables and downloadable datasheets for users to access all data. The UCLA Cosmochemistry Database archives cosmochemical data that are essential tools for increasing our understanding of the nature and origin of extraterrestrial materials. Future studies can reference the data collection in the examination, analysis, and classification of newly acquired extraterrestrial samples.

Science & Technology - Other Topics↗
DOE OSTI2026

Grid Operator Analytics and Assessment Tools for Inverter- Based Resources Dominated Grid (GOAAT-IBR) Project Update

This presentation provides an update on the OPTIMA GOAAT project, with emphasis on the cloud-native data platform developed in-house to ingest, manage, and operationalize high-resolution power system data. Since our last NASPI presentation, accessible via OSTI ID #2671437, the project team advanced the design and deployment of a scalable architecture capable of handling both synchronized and non-synchronized streams, including PMU, point-on-wave (POW), COMTRADE, and SCADA data. These materials review the project status, recent progress, and key lessons learned. The core of the presentation examines the architecture and engineering of our cloud-native ingestion and data management platform. We then explain how pipelines were designed to collect, normalize, time-align, store, and serve heterogeneous data at scale. We will discuss design choices such as data models, streaming versus batch ingestion, storage tiers, and interoperability with analytics applications. Practical experiences with cloud-native technologies were shared during the event, including benefits, limitations, and integration challenges in a utility environment, along with methods used to improve performance, reduce latency, and optimize resource usage. The presentation also showcases user interface designs and visualization tools that convert raw measurements and analytics results into intuitive, actionable insights for operators and engineers. During the presentation examples were provided demonstrating how visualization, event views, and summarized analytics enhance situational awareness and support operational decision-making. These use cases illustrate how a well-designed data infrastructure can bridge the gap between high-volume measurements and practical grid operations.

Aminifar, Farrokh↗
DOE OSTI2026

Web-based Preprocessing and Visualization of 3D FIB Tomography Data for Nuclear Fuel Characterization

Three-dimensional (3D) focused ion beam (FIB) tomography enables reconstruction of internal nuclear fuel features that can't be fully evaluated through surface imaging alone. This capability supports characterization of fuel constituents and defects under thermal and irradiation conditions relevant to microreactor development. However, large tomography datasets can create data-handling, loading, and visualization challenges, especially when image-stack preparation and file conversion must be completed with separate tools. The Computational Ultraspatial Tomography Toolkit for High-Resolution Object Analysis Tools (CUTTRHOAT) is an open-source web application being developed to display FIB tomography datasets available through the Nuclear Research Data System (NRDS). The current alpha version requires prepared HDF5 datasets and has limited integrated data-preparation capabilities. This project improves CUTTHROAT by adding dataset-folder selection, automatic input detection, dataset scanning, missing-slice identification, blank-slice insertion, and image-stack-to-HDF5 conversion. Two applications will be compared: the baseline CUTTHROAT alpha workflow and the updated application containing the integrated data-handling and preprocessing functions. Evaluation will consider dataset detection accuracy, conversion success, loading time, rendering responsiveness, application stability, and user interaction. Preliminary results demonstrate successful loading of existing HDF5 files and converted image stacks, while testing also identified performance reductions caused by excessive blank-slice generation. The updated workflow reduces reliance on external preparation tools and supports more direct movement from image stacks to color-code 3D visualization. Future work includes refining missing-slice handling, integrating additional preprocessing functions, like a denoising feature, parsing TIFF metadata for automatic voxel scaling, and adding manual X, Y, and Z voxel-spacing inputs for PNG and JPEG.

36 - MATERIALS SCIENCE↗
DOE OSTI2021

The future low-temperature geochemical data-scape as envisioned by the U.S. geochemical community

Data sharing benefits the researcher, the scientific community, and the public by allowing the impact of data to be generalized beyond one project and by making science more transparent. However, many scientific communities have not developed protocols or standards for publishing, citing, and versioning datasets. One community that lags in data management is that of low-temperature geochemistry (LTG). This paper resulted from an initiative from 2018 through 2020 to convene LTG and data scientists in the U.S. to strategize future management of LTG data. Through webinars, a workshop, a preprint, a townhall, and a community survey, the group of U.S. scientists discussed the landscape of data management for LTG – the data-scape. Currently this data-scape includes a “street bazaar” of data repositories. This was deemed appropriate in the same way that LTG scientists publish articles in many journals. The variety of data repositories and journals reflect that LTG scientists target many different scientific questions, produce data with extremely different structures and volumes, and utilize copious and complex metadata. Nonetheless, the group agreed that publication of LTG science must be accompanied by sharing of data in publicly accessible repositories, and, for sample-based data, registration of samples with globally unique persistent identifiers. LTG scientists should use certified data repositories that are either highly structured databases designed for specialized types of data, or unstructured generalized data systems. Recognizing the need for tools to enable search and cross-referencing across the proliferating data repositories, the group proposed that the overall data informatics paradigm in LTG should shift from “build data repository, data will come” to “publish data online, cybertools will find”. Funding agencies could also provide portals for LTG scientists to register funded projects and datasets, and forge approaches that cross national boundaries. Finally, the needed transformation of the LTG data culture requires emphasis in student education on science and management of data.

58 GEOSCIENCES↗
DOE OSTI2020

Validation of finite-element models using full-field experimental data: Levelling finite-element analysis data through a digital image correlation engine

Full-field data from digital image correlation (DIC) provide rich information for finite-element analysis (FEA) validation. However, there are several inherent inconsistencies between FEA and DIC data that must be rectified before meaningful, quantitative comparisons can be made, including strain formulations, coordinate systems, data locations, strain calculation algorithms, spatial resolutions and data filtering. As such, in this paper, we investigate two full-field validation approaches: (1) the direct interpolation approach, which addresses the first three inconsistencies by interpolating the quantity of interest from one mesh to the other, and (2) the proposed DIC-levelling approach, which addresses all six inconsistencies simultaneously by processing the FEA data through a stereo-DIC simulator to ‘level’ the FEA data to the DIC data in a regularisation sense. Synthetic ‘experimental’ DIC data were generated based on a reference FEA of an exemplar test specimen. The direct interpolation approach was applied, and significant strain errorswere computed, even though therewas no model form error, because the filtering effect of theDIC enginewas neglected. In contrast, the levelling approach provided accurate validation results, with no strain error when no model form error was present. Next, model form error was purposefully introduced via a mismatch of boundary conditions. With the direct interpolation approach, the mismatch in boundary conditions was completely obfuscated, while with the levelling approach, it was clearly observed. Finally, the ‘experimental’ DIC datawere purposefully misaligned slightly fromthe FEA data. Both validation techniques suffered from the misalignment, thus motivating continued efforts to develop a robust alignment process. In conclusion, direct interpolation is insufficient, and the proposed levelling approach is required to ensure that the FEA and the DIC data have the same spatial resolution and data filtering. Only after the FEA data have been ‘levelled’ to the DIC data can meaningful, quantitative error maps be computed.

42 ENGINEERING↗
DOE OSTI2024

Characterizing Interaction Uncertainty in Human-Machine Teams

With the increasing use and adoption of artificial intelligence (AI), the reliability of modern data systems will be driven by a tighter teaming between human experts and intelligent machine teammates. As in the case of human-human teams, the success of human-machine teams will also rely on clear communication about mutual goals and actions. In this paper, we combine related literature from cognitive psychology, human-machine teaming, uncertainty in data analysis, and multi-agent systems to propose a new form of uncertainty: interaction uncertainty for characterizing bidirectional communication in human-machine teams. We map the causes and effects of interaction uncertainty and outline potential ways to mitigate uncertainty for mutual trust in a high-consequence real-world scenario.

uncertainty, data analytics, interaction, trust, h↗
DOE OSTI2025

Data Placement Optimization for ATLAS in a Multi-Tiered Storage System within a Data Center

Scientific experiments and computations, especially in High Energy Physics, are generating and accumulating data at an unprecedented rate. Effectively managing this vast volume of data while ensuring efficient data analysis poses a significant challenge for data centers, which must integrate various storage technologies. This paper proposes addressing this challenge by designing and developing a precise data popularity prediction model utilizing state-of-theart AI/ML techniques. This model is crafted from the analysis of ATLAS data and access patterns. It enables us to migrate infrequently accessed data to more economical storage media, such as tape drives, while storing frequently accessed data on faster yet costlier storage media like HDD or SSD. This strategic approach ensures data is placed optimally into the appropriate storage classes, thereby maximizing storage capacity while minimizing data access latency for end-users. Furthermore, the paper includes a performance evaluation of the prediction model using various key metrics such as F1 score, accuracy, precision and recall. Finally, we present a prototype use case, leveraging real-world file access data to assess the model’s impact on performance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Metadata compression

A computer-executable method, system, and computer program product for managing a Parallel-Logged File System (PLFS) on a data storage system, wherein the data storage system is in communication with an application that updates the data storage system with checkpoint data, the computer-executable method, system, and computer program product comprising receiving a first checkpoint including data from the application; analyzing the data in the first checkpoint to determine whether a pattern exists in the checkpoint data; and upon a positive determination, adding the pattern into PLFS.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

An Application for Validation of Power Distribution System Models in an ADMS Environment

An accurate model of a power distribution system is the foundation for model-based applications that ensure efficient and reliable grid operation in an advanced distribution management system (ADMS) environment. However, these models are error-prone and comprehensive model validation is challenging due to lack of standards-based systems, data originating from disparate databases and other sources, and the constantly evolving nature of modern power distribution systems. In this paper, a novel framework for comprehensive model validation is described. The proposed application, the Model Validator, ensures that a model is both consistent and feasible by validating the derivative static and operational network model. A modular architecture for the application has been implemented and integrated with an open-source standards-based platform for ADMS application development, GridAPPS-D, allowing new validation capability to be added with minimal time and effort. The Model Validator application is demonstrated on the IEEE 13-bus, 123-bus, and 8500-node test cases over three validation scenarios.

Poudel, Shiva↗
DOE OSTI2021

Probabilistic Voltage Sensitivity based Preemptive Voltage Monitoring in Unbalanced Distribution Networks

With increasing penetration of renewable energy and active consumers, control and management of power distribution networks has become challenging. Renewable energy sources can cause random voltage fluctuations as their output power depends on weather conditions. Conventional voltage control schemes such as tap changers and capacitor banks lack the foresight required to quickly alleviate voltage violations. Thus, there is an urgent need for effective approaches for predicting and mitigating voltage violations as a result of random fluctuations in power injections. This work proposes a novel voltage monitoring approach based on low-complexity, data-driven probabilistic voltage sensitivity analysis. The usefulness of this work is not only in predicting voltage violations in unbalanced distribution grids, but also in opening up the door for optimal voltage control. Using system data and forecasts, the proposed approach predicts the distribution of system node voltages which is then used to to identify nodes that may violate the nominal operational limits with high probability. The method is tested on the IEEE 37 node distribution system considering integrated distributed solar energy sources. The method is validated against the classic load flow based method and offers over 95% accuracy in predicting voltage violations.

Abujubbeh, Mohammad↗
DOE OSTI2025

Toward particle accelerator machine state embeddings as a modality for large language models

Understanding and diagnosing the state of a particle accelerator requires navigating high-dimensional control system data, often involving hundreds of interdependent parameters. We propose a novel multimodal embedding framework that jointly learns representations of machine states from both numerical control system readouts and natural language descriptions. This enables the translation of complex machine conditions into human-readable summaries while maintaining fidelity to the underlying physical system. The obtained embeddings are subsequently adapted to an open-weights large language model via cross-attention conditioning. We demonstrate a first implementation trained on European XFEL machine state data. This work covers the embedding model architecture, training methodology, and presents initial examples demonstrating the model's capabilities in action. Due to the general concept of machine state, the model can be easily adapted to other facilities and control system environments.

Accelerator Physics↗
DOE OSTI2026

Compact representation and long-time extrapolation of real-time data for quantum systems using the ESPRIT algorithm

Representing real-time data as a sum of complex exponentials provides a compact form that enables both denoising and extrapolation. As a fully data-driven method, the Estimation of Signal Parameters via Rotational Invariance Techniques (ESPRIT) algorithm is agnostic to the underlying physical equations, making it broadly applicable to various observables and experimental or numerical setups. In this work, we consider applications of the ESPRIT algorithm primarily to extend real-time dynamical data from simulations of quantum systems. We evaluate ESPRIT's performance in the presence of noise and compare it to other extrapolation methods. We demonstrate its ability to extract information from short-time dynamics to reliably predict long-time behavior and determine the minimum time interval required for accurate results. We discuss how this insight can be leveraged in numerical methods that propagate quantum systems in time, and we show how ESPRIT can predict infinite-time values of dynamical observables, offering a purely data-driven approach to characterizing quantum phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

ARM Aerial Facility (AAF) - Unmanned Aircraft Systems, Cloud Droplet Probe with QC and lat/lon/alt

The Cloud Droplet Probe (CDP) is designed to measure cloud droplet size distribution from 2 µm to 50 µm. The CDP and an appropriate data system can also calculate various other parameters including particle concentrations, effective diameter (ED), Median Volume Diameter (MVD), and Liquid Water Content (LWC). The b1 level adds standard quality control flags, and merges in flight navigation data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Extracting Resilience Metrics From Distribution Utility Data Using Outage and Restore Process Statistics

Resilience curves track the accumulation and restoration of outages during an event on an electric distribution grid. We show that a resilience curve generated from utility data can always be decomposed into an outage process and a restore process and that these processes generally overlap in time. We use many events in real utility data to characterize the statistics of these processes, and derive formulas based on these statistics for resilience metrics such as restore duration, customer hours not served, and outage and restore rates. The formulas express the mean value of these metrics as a function of the number of outages in the event. We also give a formula for the variability of restore duration, which allows us to predict a maximum restore duration with 95% confidence. Overall, we give a simple and general way to decompose resilience curves into outage and restore processes and then show how to use these processes to extract resilience metrics from standard distribution system data.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

ARM Aerial Facility (AAF) - Unmanned Aircraft Systems, Cloud Droplet Probe

The Cloud Droplet Probe (CDP) is designed to measure cloud droplet size distribution from 2 µm to 50 µm. The CDP and an appropriate data system can also calculate various other parameters including particle concentrations, effective diameter (ED), Median Volume Diameter (MVD), and Liquid Water Content (LWC).

54 ENVIRONMENTAL SCIENCES↗