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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Data for A Hybrid Biophysical-Machine Learning Framework for Diurnal Surface Energy Flux Estimation Using Proximal Sensing

Thermal infrared-based remote sensing of surface energy fluxes has traditionally relied on high spatial resolution satellite data with revisit frequencies on the order of weeks. In this study, we evaluate a biophysics-based analytical surface energy balance model for predicting latent energy (LE) and sensible heat (H) fluxes using proximal sensing observations. The Surface Temperature Initiated Closure (STIC1.2) model has been extensively validated across a wide range of spatial and temporal scales using various satellite-derived thermal infrared data sets. Here we extend this validation by applying STIC at sub-hourly temporal resolution over multiple growing seasons for four distinct agricultural systems. We further develop and evaluate novel STIC variants that incorporate machine learning (ML) techniques to eliminate the need for surface energy balance observations, specifically net radiation and soil heat flux, thereby enhancing model applicability in data-sparse settings. The integration of a ML component to estimate surface available energy is shown to have strong predictive performance for both LE (R2 = 0.81–0.94) and H (R2 = 0.46–0.72) across all agricultural systems examined here, demonstrating the potential of hybrid biophysical-machine learning approaches for surface energy balance modeling with minimal data requirements. This study concludes with a novel application of explainable machine learning (exML) to diagnose sources of model error. This exML framework attributes residual prediction errors to both model input variables and environmental drivers not explicitly included in the simulation experiments. This approach provides a new pathway for improving model design and integrating previously overlooked yet influential variables into future model iterations.

AI/ML↗
DOE OSTI2025

The Linear Collider Facility (LCF) at CERN

In this paper we outline a proposal for a Linear Collider Facility as the next flagship project for CERN. It offers the opportunity for a timely, cost-effective and staged construction of a new collider that will be able to comprehensively map the Higgs boson's properties, including the Higgs field potential, thanks to a large span in centre-of-mass energies and polarised beams. A comprehensive programme to study the Higgs boson and its closest relatives with high precision requires data at centre-of-mass energies from the Z pole to at least 1 TeV. It should include measurements of the Higgs boson in both major production mechanisms, ee -> ZH and ee -> vvH, precision measurements of gauge boson interactions as well as of the W boson, Higgs boson and top-quark masses, measurement of the top-quark Yukawa coupling through ee ->ttH, measurement of the Higgs boson self-coupling through HH production, and precision measurements of the electroweak couplings of the top quark. In addition, ee collisions offer discovery potential for new particles complementary to HL-LHC.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction

Deep learning models have proven to be a powerful tool for the prediction of molecular properties for applications including drug design and the development of energy storage materials. However, in order to learn accurate and robust structure–property mappings, these models require large amounts of data which can be a challenge to collect given the time and resource-intensive nature of experimental material characterization efforts. Additionally, such models fail to generalize to new types of molecular structures that were not included in the model training data. The acceleration of material development through uncertainty-guided experimental design has the promise to significantly reduce the data requirements and enable faster generalization to new types of materials. To evaluate the potential of such approaches for electrolyte design applications, we perform comprehensive evaluation of existing uncertainty quantification methods on the prediction of two relevant molecular properties - aqueous solubility and redox potential. We develop novel evaluation methods to probe the utility of the uncertainty estimates for both in-domain and out-of-domain data sets. Finally, we leverage selected uncertainty estimation methods for active learning to evaluate their capacity to support experimental design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Grid Edge Waveform Analytics Framework for Event Detection and Classification

This paper provides a grid edge waveform analytics framework for power system event detection and classification in the local as well as in the wide area. This framework overviews data excellence for event detection and classification. The data excellence describes the data acquisition process and requirements, data processing, data quality, and data integrity. Power system event detection in the local area based on different features such as energy-based, cyclostationary approach, template matching, and wavelet transform are also discussed. Furthermore, local area event detection and classification using approaches such as statistical, signal processing, artificial intelligence, and hybrid are also discussed. Moreover, an overview of wide-area event detection and classification along with several other aspects such as wide-area events, wide-area event detection approaches, event location and system performance, event pattern recognition, inter-area oscillation, and wide-area frequency response under variable deployment of inverter-based resources are also provided. The proposed framework is the first step toward the goal of developing appropriate tools and methodologies to detect and classify local as well as wide-area events using waveform analytics. The appropriate event detection and classification framework development is especially important now as more and more grid edge devices with communication capabilities are being deployed in the modern power grid than ever before.

Bhusal, Narayan↗
DOE OSTI2022

Calibrating the SPECTACULAR constitutive model using legacy Sandia data for two filled epoxy systems: 828/CTBN/DEA/GMB and 828/DEA/GMB

The SPECTACULAR model is a development extension of the Simplified Potential Energy Clock (SPEC) model. Both models are nonlinear viscoelastic constitutive models used to predict a wide range of time-dependent behaviors in epoxies and other glass-forming materials. This report documents the procedures used to generate SPECTACULAR calibrations for two particulate-filled epoxy systems, 828/CTBN/DEA/GMB and 828/DEA/GMB. No previous SPECTACULAR or SPEC calibration exists for 828/CTBN/DEA/GMB, while a legacy SPEC calibration exists for 828/DEA/GMB. To generate the SPECTACULAR calibrations, a step-by-step procedure was executed to determine parameters in groups with minimal coupling between parameter groups. This procedure has often been deployed to calibrate SPEC, therefore the resulting SPECTACULAR calibration is backwards compatible with SPEC (i.e. none of the extensions specific to SPECTACULAR are used). The calibration procedure used legacy Sandia experimental data stored on the Polymer Properties Database website. The experiments used for calibration included shear master curves, isofrequency temperature sweeps under oscillatory shear, the bulk modulus at room temperature, the thermal strain during a temperature sweep, and compression through yield at multiple temperatures below the glass transition temperature. Overall, the calibrated models fit the experimental data remarkably well. However, the glassy shear modulus varies depending on the experiment used to calibrate it. For instance, the shear master curve, isofrequency temperature sweep under oscillatory shear, and the Young's modulus in glassy compression yield values for the glassy shear modulus at the reference temperature that vary by as much as 15 %. Also, for 828/CTBN/DEA/GMB, the temperature dependence of the glassy shear modulus when fit to the Young's modulus at different temperatures is approximately four times larger than when it is determined from the isofrequency temperature sweep under oscillatory shear. For 828/DEA/GMB, the temperature dependence of the shear modulus determined from the isofrequency temperature sweep under oscillatory shear accurately predicts the Young's modulus at different temperatures. When choosing values for the shear modulus, fitting the glassy compression data was prioritized. The new and legacy calibrations for 828/DEA/GMB are similar and appear to have been calibrated from the same data. However, the new calibration improves the fit to the thermal strain data. In addition to the standard calibrations, development calibrations were produced that take advantage of development features of SPECTACULAR , including an updated equilibrium Helmholtz free energy that eliminates undesirable behavior found in previous work. In addition to the previously mentioned experimental data, the development calibrations require data for the heat capacity during a stress-free temperature sweep to calibrate thermal terms.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Combining High-Throughput Experiments and Active Learning to Characterize Deep Eutectic Solvents

The high tunability of deep eutectic solvents (DESs) stems from the ease of changing their precursors and relative compositions. However, measuring the physicochemical properties across large composition and temperature ranges, necessary to properly design target-specific DESs, is tedious and error-prone and represents a bottleneck in the advancement and scalability of DES-based applications. As such, active learning (AL) methodologies based on Gaussian processes (GPs) were developed in this work to minimize the experimental effort necessary to characterize DESs. Owing to its importance for large-scale applications, the reduction of DES viscosity through the addition of a low-molecular-weight solvent was explored as a case study. A high-throughput experimental screening was initially performed on nine different ternary DESs. Then, GPs were successfully trained to predict DES viscosity from its composition and temperature, showcasing the ability of these stochastic, nonparametric models to accurately describe the physicochemical properties of complex mixtures. Finally, the ability of GPs to provide estimates of their own uncertainty was leveraged through an AL framework to minimize the number of data points necessary to obtain accurate viscosity modes. This led to a significant reduction in data requirements, with many systems requiring only five independent viscosity data points to be properly described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Fusion and Fission Energy and Science Directorate and Information Technology Services Directorate HPC Cluster Reduction, Consolidation, and Savings in Data Center Space, Power, and Cooling

This report evaluates the benefits of decommissioning six legacy FFESD purchased HPC clusters and consolidating services and workloads into a new HPC cluster named HELIOS. The findings demonstrate significant reductions in the data center power and cooling requirements, data center footprint, and operational overhead, while simultaneously increasing computational capacity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

When physics-informed data analytics outperforms black-box machine learning: A case study in thickness control for additive manufacturing

Aerosol jet printing (AJP) has emerged as a promising noncontact additive manufacturing method for high-resolution printing for a wide range of material systems. A key challenge limiting the broader adoption of AJP in the material science community is the lack of methods to precisely control thickness. Herein, we develop a model-based design of experiment (MBDoE) framework that integrates physics-informed models, nonlinear regression, and information criteria to postulate, select and calibrate the best model to describe and optimize the AJP manufacturing process. Starting with already available data from system commissioning (e.g., prior single variable sensitivity analysis), four candidate physics-informed models are postulated and trained. MBDoE identifies a single additional optimal experiment to validate these predictive models with quantified uncertainties, which are then used to determine the best experimental conditions to control printed film thickness. As a comparative benchmark, the analysis is repeated using the same dataset with nonparametric Gaussian process regression (GPR) model that does not incorporate physical information. Using MBDoE principles, we find that only five experiments are necessary to calibrate the nonlinear physics-informed parametric model, and with said limited data, this model outperforms the black-box machine learning GPR model. This key result underscores an emerging trend in the data science community: incorporating physical information into predictive models often drastically reduces the data requirements. Leveraging MBDoE further increased the data efficiency. By design, the proposed data science framework is general in nature and can be easily extended to other experimental and additive manufacturing systems beyond AJP.

Aerosol jet printing↗
DOE OSTI2021

LANL Meteorological Program: 2020 Data Completeness/Quality Report

Los Alamos National Laboratory (LANL) operates four mesa-top meteorology towers: Technical Area (TA) 06, TA-49, TA-53, and TA-54. An additional tower is located in Mortandad Canyon (TA-5 MDCN), and a rain gauge at North Community (NCOM). A description of the meteorology monitoring network is found in Dewart and Boggs (2014). Mesa-top towers are instrumented at 1.2 meters (m), 11.5 m, 23 m, and 46 m. In addition, TA-06 is instrumented at 92 m. The TA-5 MDCN tower is 10 m in height and is instrumented at 1.2 m and 10 m. Data are collected every 15 minutes. Range checking is done on each measurement every 15 minutes; data that are beyond normal ranges are eliminated from the data set and replaced by a code for missing data. In addition, data are reviewed weekly by meteorologists to identify bad data not identified by range checking. The data steward eliminates these data from the data set and replaces them with a code for missing data. The instrument technicians also review that data and schedule instrument replacement as required. Data completeness is determined by the number of total 15-minute records available versus the total number of possible measurements for the entire year. As a rule, the meteorologists do not attempt to estimate data that are eliminated as bad data. Original datalogger records, containing bad data, can be recalled from program archival storage.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Making a Water Data System Responsive to Information Needs of Decision Makers

Evidence-based environmental management requires data that are sufficient, accessible, useful and used. A mismatch between data, data systems, and data needs for decision making can result in inefficient and inequitable capital investments, resource allocations, environmental protection, hazard mitigation, and quality of life. In this paper, we examine the relationship between data and decision making in environmental management, with a focus on water management. We focus on the concept of decision-driven data systems —data systems that incorporate an assessment of decision-makers' data needs into their design. The aim of the research was to examine the process of translating data into effective decision making by engaging stakeholders in the development of a water data system. Using California's legislative mandate for state agencies to integrate existing water and other environmental data as a case study, we developed and applied a participatory approach to inform data-system design and identify unmet data needs. Using workshops and focused stakeholder meetings, we developed 20 diverse use cases to assess data sources, availability, characteristics, gaps, and other attributes of data used for representative decisions. Federal and state agencies made up about 90% of the data sources, and could readily adapt to a federated data system, our recommended model for the state. The remaining 10% of more-specialized data, central to important decisions across multiple use cases, would require additional investment or incentives to achieve data consistency, interoperability, and compatibility with a federated system. Based on this assessment, we propose a typology of different types of data limitations and gaps described by stakeholders. We also propose technical, governance, and stakeholder engagement evaluation criteria to guide planning and building environmental data systems. Data-system governance involving both producers and users of data was seen as essential to achieving workable standards, stable funding, convenient data availability, resilience to institutional change, and long-term buy-in by stakeholders. Our work provides a replicable lesson for using decision-maker and stakeholder engagement to shape the design of an environmental data system, and inform a technical design that addresses both user and producer needs.

Cantor, Alida↗
DOE OSTI2022

Requirements for Cataloging Hanford Geophysical Datasets

Environmental management activities at the Hanford Site produce extensive data about site conditions, contaminants, cleanup, and more. Managing and archiving that data requires a high degree of collaboration among site contractors and a high level of awareness by project managers and staff. Part of that effort is developing a Hanford Environmental Information and Data Index (HEIDI) to organize the data and maximize its value by making it findable and available for reuse. The objective is to catalog the disparate data sets collected to address the evolving needs of planning, executing, and documenting cleanup over several decades up to the present day, including links to active data sources when available. A properly implemented data catalog makes finding environmental datasets related to an area or theme a routine, reliable process, without requiring the searcher to have special knowledge that a data set exists and where it may be stored. In this project, a working group, including the U.S. Department of Energy, the Hanford Site contractors, and Pacific Northwest National Laboratory staff, identified needs and requirements for handling complex site data. Geophysical data was chosen as a test case because it can be large and complex and often involves multiple processing steps to extract the information incorporated into deliverables. The ability to document those steps was one of the requirements identified for the catalog. In addition to developing requirements, other activities included selecting a metadata schema and initial testing with the objective of determining whether the workflow and capabilities of selected data catalog software platforms were sufficient to implement and impose the identified requirements. This initial testing involved running the default catalog instance using the software platform of interest and altering the configuration to achieve each requirement, if possible. Where configuration alone was insufficient, the possibility of modifying the software by changing the code was examined, but not implemented. A follow-on task is planned to reprogram the code as necessary to implement requirements in a prototype catalog.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Data Science Infrastructure SOFTWARE

LANL science workflows generate complex data sets and ensembles of data requiring significant compute and storage resources. The Data Science Infrastructure (DSI) project focuses on data-driven approaches to make data more readily available to LANL projects. DSI workflows leverage metadata stored in data-agnostic databases, supported by an abstraction layer API to simplify searching and accessing data across simulation runs, experimental runs, filesystems and environments. The abstraction layer API allows the user to query a range of data types: raw output, processed data, configuration data, machine learning models, performance data, etc. In addition to the abstraction backend API, the DSI project is developing client-driven query APIs and UIs to support specific user workflows.

Turton, Terece↗
DOE OSTI2023

National Ignition Facility Opacity Time Resolved Spectrometer Systems Engineering Final Project

The National Ignition Facility (NIF) is the world’s largest and most energetic laser facility. The NIF system is designed to produce high energy density (temperature and pressure) conditions through the application of its 192 laser beams. One of the users of NIF is the opacity platform developed to study the opacities at temperatures and densities relevant to the solar interior and stellar evolution. The platform was developed to study iron (Fe) opacity at temperatures relevant to the solar interior. The opacity campaign uses spectrometers to gather data. Spectrometers utilize crystals to produce x-ray spectra that are recorded on time-integrated and time-resolved detectors. The opacity spectrometer (OpSpec) currently fielded and in use at NIF uses a time integrated film channel to collect data. The opacity spectrometer time resolved (OpSpecTR) will utilize novel hCMOS detectors to capture time resolved images of spectra of interest. The key stakeholders identified for OpSpecTR included the physicists responsible for OpSpec and OpSpecTR, the Target Area Science and Engineering (TASE) department at NIF, the NIF and Photon Science (NIF & PS) Opacity program, the Nevada National Security Site (NNSS) Physics and Engineering program, the Sandia hCMOS manufacturing and testing program, and the Los Alamos National Laboratory (LANL) program sponsor. The Target and Experimental Operations (TEXOPS) was identified as a key stakeholder because the group includes the individuals that will physically interact with the OpSpecTR system as it participates in NIF experiments. The opacity platform collects data in a unique orientation relative to the existing diagnostics fielded at NIF. The existing infrastructure at NIF uses a diagnostic manipulator (DIM) to insert the diagnostic near the target chamber center to collect data during a NIF shot. Existing diagnostics collect data through the center line of the DIM axis and collect relevant data perpendicular to this axis. The opacity platform requires crystals mounted in a specific orientation which requires data collection parallel to the DIM axis. This deviation from standard NIF practices was a key factor in developing requirements.

42 ENGINEERING↗
DOE OSTI2021

Deep active learning for classifying cancer pathology reports

Abstract Background Automated text classification has many important applications in the clinical setting; however, obtaining labelled data for training machine learning and deep learning models is often difficult and expensive. Active learning techniques may mitigate this challenge by reducing the amount of labelled data required to effectively train a model. In this study, we analyze the effectiveness of 11 active learning algorithms on classifying subsite and histology from cancer pathology reports using a Convolutional Neural Network as the text classification model. Results We compare the performance of each active learning strategy using two differently sized datasets and two different classification tasks. Our results show that on all tasks and dataset sizes, all active learning strategies except diversity-sampling strategies outperformed random sampling, i.e., no active learning. On our large dataset (15K initial labelled samples, adding 15K additional labelled samples each iteration of active learning), there was no clear winner between the different active learning strategies. On our small dataset (1K initial labelled samples, adding 1K additional labelled samples each iteration of active learning), marginal and ratio uncertainty sampling performed better than all other active learning techniques. We found that compared to random sampling, active learning strongly helps performance on rare classes by focusing on underrepresented classes. Conclusions Active learning can save annotation cost by helping human annotators efficiently and intelligently select which samples to label. Our results show that a dataset constructed using effective active learning techniques requires less than half the amount of labelled data to achieve the same performance as a dataset constructed using random sampling.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Decay Curve Correction Analysis Report

The decay curve analysis that is done on the short-lived radionuclide gas samples is used to differentiate between gaseous radionuclides that have the same characteristic gamma decay energy, 511 kiloelectron-volts (keV). A sample of stack gas is isolated and the total counts in the 511 keV peak are counted repeatedly in 10-second intervals to evaluate the decay rate of the sample over time. Analysis of this decay data required a series of steps. First, a raw data report is generated by the gamma acquisition system, based on an analysis template within the acquisition software. The data report file was then loaded into Microsoft Word, and a macro was used to perform minor formatting (remove colons and insert tabs between data columns) to allow analysis within Excel. The file is then saved as a text file at this point. The text file is then uploaded into Excel and a series of macros are used to add labels, calculate radioactive decay constants, and analyze the gamma decay data using linear regression techniques. The analysis template has been used since 1998 for stack 53000303 (TA-53, building 0003, exhaust stack 03) and 2000 for stack 53000702. The overall process, including the gamma report format and the macros used in Word and Excel for processing the report, had remained unchanged until 2015. In October of 2015, staff made a change to the report template in the gamma acquisition software which resulted in an error in the calculations later performed by the Excel macro. This error was not caught until a more in-depth review of the analysis took place regarding 2020 data. This report covers a much more complete review of the issue that occurred regarding the decay curve analysis, a review of the calculations completed to correct the issue, a review of the updated decay curve analysis process, and recommendations for moving forward.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Improving the Accessibility and Usability of Geothermal Information with Data Lakes and Data Pipelines on the Geothermal Data Repository: Preprint

The Geothermal Data Repository (GDR) provides universal access to data and information resulting from research and development activities funded by the Department of Energy (DOE). The GDR has extended this universal access to big data through integration with data lakes developed by the Open Energy Data Initiative (OEDI). Previously, large datasets such as seismic waveform or distributed acoustic sensing (DAS) data could only be accessed by institutions with high performance data storage and compute capabilities, effectively limiting the accessibility of big data to national labs, larger universities, and major corporations. Moreover, the time and resources needed to transport big data and configure them can produce additional barriers to use. Many of the standard formats used for structured data models (also known as content models) are incapable of handling big data and can introduce additional usability problems, often requiring data to be reformatted prior to use. This paper will explore how recent integrations between the GDR and the OEDI data lake have improved the accessibility and usability of geothermal data in a big way, making the data available to a broader audience, and enabling collaborative analysis and innovation across the greater geothermal industry.

access↗