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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Get Non-Real: Randomized Sketching for High-Dimensional Non-Real Valued Data (Final Report)

In our final report for DE-C0022186, we describe the work we did on this grant towards the goals we proposed. Our first goal was characterizing fundamental limits for sketching of discrete high-dimensional matrices with low-dimensional structures. Our second main goal was designing algorithms for data reconstruction from sketches. We focus on approaches that are either specifically designed for non-real-valued data (binary, finite field) or that will translate more readily to that setting.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Model fusion with physics-guided machine learning: Projection-based reduced-order modeling

The unprecedented amount of data generated from experiments, field observations, and large-scale numerical simulations at a wide range of spatiotemporal scales has enabled the rapid advancement of data-driven and especially deep learning models in the field of fluid mechanics. Although these methods are proven successful for many applications, there is a grand challenge of improving their generalizability. This is particularly essential when data-driven models are employed within outer-loop applications like optimization. In this work, we put forth a physics-guided machine learning (PGML) framework that leverages the interpretable physics-based model with a deep learning model. Leveraging a concatenated neural network design from multi-modal data sources, the PGML framework is capable of enhancing the generalizability of data-driven models and effectively protects against or inform about the inaccurate predictions resulting from extrapolation. We apply the PGML framework as a novel model fusion approach combining the physics-based Galerkin projection model and long- to short-term memory (LSTM) network for parametric model order reduction of fluid flows. We demonstrate the improved generalizability of the PGML framework against a purely data-driven approach through the injection of physics features into intermediate LSTM layers. Our quantitative analysis shows that the overall model uncertainty can be reduced through the PGML approach, especially for test data coming from a distribution different than the training data. Moreover, we demonstrate that our approach can be used as an inverse diagnostic tool providing a confidence score associated with models and observations. The proposed framework also allows for multi-fidelity computing by making use of low-fidelity models in the online deployment of quantified data-driven models.

42 ENGINEERING↗
DOE OSTI2024

Adjusting the Energy Profile for CH–O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD Simulations

The role of ribonucleic acid (RNA) in biology continues to grow, but insight into important aspects of RNA behavior is lacking, such as dynamic structural ensembles in different environments, how flexibility is coupled to function, and how function might be modulated by small molecule binding. In the case of proteins, much progress in these areas has been made by complementing experiments with atomistic simulations, but RNA simulation methods and force fields are less mature. It remains challenging to generate stable RNA simulations, even for small systems where well-defined, thermostable structures have been established by experiments. Further many different aspects of RNA energetics have been adjusted in force fields, seeking improvements that are transferable across a variety of RNA structural motifs. In this work, the role of weak CH···O interactions is explored, which are ubiquitous in RNA structure but have received less attention in RNA force field development. By comparing data extracted from high-resolution RNA crystal structures to energy profiles from quantum mechanics and force field calculations, it is shown that CH···O interactions are overly repulsive in the widely used Amber RNA force fields. A simple, targeted adjustment of CH···O repulsion that leaves the remainder of the force field unchanged was developed. Then, the standard and modified force fields were tested using molecular dynamics (MD) simulations with explicit water and salt, amassing over 300 μs of data for multiple RNA systems containing important features such as the presence of loops, base stacking interactions as well as canonical and noncanonical base pairing. In this work and others, standard force fields lead to reproducible unfolding of the NMR-based structures. Including a targeted CH···O adjustment in an otherwise identical protocol dramatically improves the outcome, leading to stable simulations for all RNA systems tested.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

U-net architected deep material network training with microstructure local field information

The Deep Material Network (DMN) has recently emerged as a powerful reduced-order modeling framework for simulating the mechanical response of heterogeneous materials such as composites. Unlike most data-driven approaches that directly learn a material’s response under prescribed loading, the DMN acts as a homogenization operator, learning the kinematic constraints and mechanical interactions of the underlying microstructure. However, traditional DMN training relies exclusively on homogenized effective properties derived from Direct Numerical Simulations (DNS), discarding the rich local field data that govern microstructural interactions. In this work, we extend the DMN framework to incorporate such local field information into the offline training process. Utilizing a U-Net architecture, we augment the DMN training objective to include the first and second statistical moments of the local stress fields obtained from linear DNS. This ensures that the learned network topology not only fits the effective stiffness but also accurately reflects the internal local stress and strain partitioning of the microstructure. The results confirm that supervising the localization process during training yields a superior surrogate model, reducing local prediction errors by an order of magnitude and significantly improving generalization to unseen nonlinear constitutive behaviors compared to traditional DMNs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Measurement of the Full Shape of the Thermal Sunyaev–Zel’dovich Power Spectrum from the South Pole Telescope and Herschel–SPIRE Observations

We present a measurement of the full shape of the power spectrum of the thermal Sunyaev–Zel’dovich (tSZ) effect down to arcminute scales using cosmic microwave background (CMB) data from the South Pole Telescope (SPT) over a roughly 100 deg 2 field. The analysis incorporates data from the 2019–2020 seasons of the SPT-3G survey in bands centered at 95, 150, and 220 GHz; from the full SPTpol dataset at 150 GHz; and from the Herschel–SPIRE survey in bands centered at 600 and 857 GHz. We combine data from all the above bands using linear combination (LC) techniques to produce a tSZ or Compton-y map. We modify the LC weights to produce multiple versions of the Compton-y map, including minimum-variance (MV) and foreground-minimized (-min) maps. We measure the auto- and cross-power spectra of a subset of these maps in the range ℓ ∈ [500, 5000]. While this power spectrum includes contributions from signals other than tSZ, we present numerous checks to show that the most challenging foreground signal, the cosmic infrared background (CIB), is much lower than the desired tSZ signal in the scales of interest in this work. The final tSZ power spectrum is measured at 9.3σ with both the MV and CIB-min maps. Our results are consistent with those reported in other CMB surveys across the literature. Using the difference in the tSZ power spectrum from the MV and CIB-min maps, we reconstruct the scale-dependent tSZ–CIB cross correlation $ρ^{\textrm{tSZ}}_{ℓ}$ x CIB, finding 3.1σ evidence for a nonzero correlation coefficient that is positive on large scales and approaches zero for ℓ > 2500. This result represents the deepest tSZ maps ever produced and provides new constraints that can help refine astrophysical feedback mechanisms and models of the intracluster medium.

Raghunathan, S. [Univ. of California, Davis, CA (U↗
DOE OSTI2021

A field guide for aging passerine nestlings using growth data and predictive modeling

Abstract Background Accurate nestling age is valuable for studies on nesting strategies, productivity, and impacts on reproductive success. Most aging guides consist of descriptions and photographs that are time consuming to read and subjective to interpret. The Western Bluebird ( Sialia mexicana ) is a secondary cavity-nesting passerine that nests in coniferous and open deciduous forests. Nest box programs for cavity-nesting species have provided suitable nesting locations and opportunities for data collection on nestling growth and development. Methods We developed models for predicting the age of Western Bluebird nestlings from morphometric measurements using model training and validation. These were developed for mass, tarsus, and two different culmen measurements. Results Our models were accurate to within less than a day, and each model worked best for a specific age range. The mass and tarsus models can be used to estimate the ages of Western Bluebird nestlings 0–10 days old and were accurate to within 0.5 days for mass and 0.7 days for tarsus. The culmen models can be used to estimate ages of nestlings 0–15 days old and were also accurate to within less than a day. The daily mean, minimum, and maximum values of each morphometric measurement are provided and can be used in the field for accurate nestling age estimations in real time. Conclusions The model training and validation procedures used here demonstrate that this method can create aging models that are highly accurate. The methods can be applied to any passerine species provided sufficient nestling morphometric data are available.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Proton deflectometry analysis in magnetized plasmas: Magnetic field reconstruction in one dimension

Proton deflectometry is used in magnetized high-energy-density plasmas to observe electromagnetic fields. Here we describe a reconstruction algorithm to recover the electromagnetic fields from proton fluence data in 1-D. The algorithm is verified against analytic solutions and applied to example data. Next, we study the role of source fluence uncertainty for 1-D reconstructions. We show that reconstruction boundary conditions can be used to constrain the source fluence profile and use this to develop a reconstruction using a specified pair of boundary conditions on the magnetic field. From these considerations, we experimentally demonstrate a hybrid mesh-fluence reconstruction technique where fields are reconstructed from fluence data in an interior region with boundary conditions supplied by direct mesh measurements at the boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

3P Program: Phenotyping X Prediction = Productivity (Final Scientific/Technical Report)

The goal of the 3P Program was to establish integrated, real-time phenotyping and to analyze above- and below-ground plant architecture and total carbon partitioning and allocation to predict heterosis and develop superior crop hybrids by fully leveraging the Sorghum gene pool. There were two overarching themes: 1) the development of a new crop improvement approach utilizing advances in high-throughput phenotyping (HTP), computing, and genomics for public dissemination and 2) leveraging this platform for sorghum crop improvement and commercialization. The Clemson team worked on creating genomic resources and using both statistical learning and high-throughput phenotyping in genomics-assisted breeding. Research was broadly interested in the genetics of carbon partitioning, with the aim of improving crop performance and achieving sustainability. The technology and resources created can be readily found in the public domain and serve to advance scientific understanding of crop genomics and breeding. Genomic prediction was able to identify top crosses to be made, and a hybrid prediction pipeline is in place to drive year-over-year genetic gain. Roots have long been ignored by plant breeders and agronomists, not because they are unimportant but because they are hard to measure. This is an untapped white space of potential insight and innovation. To address this, Hi Fidelity Genetics developed the RootTracker to measure roots in the field on a continuous basis. A database system called RootTracker Tracker was developed to handle data coming from the RootTrackers. In using this device, valuable data was observed for plant breeding, hydrochemical development, and other agricultural biology applications. Carnegie Mellon’s goal was developing new techniques to generate high-resolution 3D models of plants from data collected in the field. The idea was that more useful and more informative phenotypes could be extracted by resolving small features, such as seeds and flowers, and that by modeling in 3D, the spatial structure of plants could be examined. To achieve this, multiple images collected by a new small format structured light stereo imager were fused together. A sorghum panicle modeling pipeline was developed to allow the collection and processing of data. Carolina Seed Systems is an agricultural technology company focused on decarbonizing the agricultural system. Their technology pipeline serves to drive fundamental progress towards creation and distribution of carbon negative crops. The genomic and the engineering technology developed through the 3P Program was leveraged to deliver both value and sustainability from the grower to the consumer. Promising sorghum hybrids were scaled up and commercialized. The overall goal of our research was to integrate, create, and deploy genetic and engineering concepts and technologies to enhance crop productivity in a sustainable fashion. The combination of public and private partners allowed the basic research and hypothesis testing to be quickly accelerated for commercial application by the companies yet maintained that the core framework and academic insights remain in the public domain for continued market disruption, competition, and innovation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Challenges in Bioinformatics Workflows for Processing Microbiome Omics Data at Scale

The nascent field of microbiome science is transitioning from a descriptive approach of cataloging taxa and functions present in an environment to applying multi-omics methods to investigate microbiome dynamics and function. A large number of new tools and algorithms have been designed and used for very specific purposes on samples collected by individual investigators or groups. While these developments have been quite instructive, the ability to compare microbiome data generated by many groups of researchers is impeded by the lack of standardized application of bioinformatics methods. Additionally, there are few examples of broad bioinformatics workflows that can process metagenome, metatranscriptome, metaproteome and metabolomic data at scale, and no central hub that allows processing, or provides varied omics data that are findable, accessible, interoperable and reusable (FAIR). Here, we review some of the challenges that exist in analyzing omics data within the microbiome research sphere, and provide context on how the National Microbiome Data Collaborative has adopted a standardized and open access approach to address such challenges.

NMDC, Microbiome↗
DOE OSTI2023

Effective Field Theory islands from perturbative and nonperturbative four-graviton amplitudes

Theoretical data obtained from physically sensible field and string theory models suggest that gravitational Effective Field Theories (EFTs) live on islands that are tiny compared to current general bounds determined from unitarity, causality, crossing symmetry, and a good high-energy behavior. In this work, we present explicit perturbative and nonperturbative 2 → 2 graviton scattering amplitudes and their associated low-energy expansion in spacetime dimensions D ≥ 4 to support this notion. Our new results include a first example of gravity weakly coupled to a nonperturbative effective action. We show that, at energies below the mass of its nonperturbative matter, the D = 4, $\mathcal{N}$ = 1 supersymmetric field theory in the confined phase lies on the same islands identified using four-dimensional perturbative models based on string theory and minimally-coupled matter circulating a loop. Furthermore, we generalize the previous four-dimensional perturbative models based on string theory and minimally-coupled massive spin-0 and spin-1 states circulating in the loop to D dimensions. Remarkably, we again find that the low-energy EFT coefficients lie on small islands. These results offer a useful guide towards constraining possible extensions of Einstein gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A multiscale recurrent neural network model for predicting energy production from geothermal reservoirs

Optimization of energy production from geothermal reservoirs requires reliable prediction of energy production performance under alternative operation and development scenarios. Traditionally, reservoir simulation models are used for the evaluation and screening of alternative production and development plans. However, simulation models require extensive data collection and modeling efforts and are time-consuming to build, run, and update. Data-driven predictive models, on the other hand, can serve as efficient prediction tools that can be used for decision support and management of daily operations and surveillance activities. Data-driven models become particularly attractive when a reservoir simulation model for a field does not exist and/or is difficult to build. Machine learning (ML)-based data-driven models that have recently become popular in several fields exploit statistical patterns and relations in training data to generate predictions. As such, they tend to perform better in interpolation problems (that is, prediction within the training data range) than when they are used to extrapolate beyond the training data. Production data from geothermal reservoirs tend to exhibit short-term variabilities as well as long-term trends, such as monotonically declining production temperatures. Capturing both short-term features and long-term trends with ML-based models is not trivial. We evaluate the use of recurrent neural networks (RNN) for the prediction of energy production from geothermal reservoirs. RNN is a class of ML architectures that are used to represent and predict sequential/dynamic data. Thus, it can be challenging to apply RNN to problems where long-term trends must be captured and extrapolation beyond the training data range is needed. We introduce the multiscale RNN architecture to extend the application of RNN to detect and predict both short-term variabilities and long-term trends in geothermal data. The developed architecture consists of a long-term component to only capture low-frequency data patterns, and a short-term component to detect features with higher frequency and more nonlinearity. The final prediction is obtained by combining the long-term and short-term predictions. Both synthetic and field data are used to evaluate the presented multiscale RNN model. The prediction performance of the multiscale RNN is compared against those obtained from the regular RNN and the autoregressive (AR) model. The results suggest that the multiscale architecture improves the long-term prediction performance of the regular RNN and enhances its robustness against noise.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Analysis of Transient Pressure and Rate Data in a Complex of Enhanced Oil Recovery Fields in Northern Michigan

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. A key activity of the MRCSP monitoring program was to continuously monitor the CO 2 injection and bottom-hole reservoir pressure in the injection wells and selected monitoring wells in the study reefs from 2013 through 2019. During the monitoring period, which varied from reef to reef, the reefs were undergoing one or more phases of development, such as CO 2 injection without hydrocarbon production, CO 2 injection with production Enhanced Oil Recovery (EOR), production without CO 2 injection, and idle (no injection or production) in pressure depleted condition. A multi-year record of reservoir pressure and injection rate data are available for one or more wells for each reef for analysis. This report discusses the methodology and results of various types of analyses performed with this data, with the primary objective of characterizing the in-situ permeability of the formation of interest.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

pnnl/PHANTOM

A topology-based anomaly detection tool for temporal varying data. The input is json or CSV formatted data with a timestamp field identified. The algorithm computes vectorizations (using a vectorization config file) of time windows of data and computes a topological measure of anomalousness. The output is a sequence of anomaly scores for each time window

Seppala, Garret↗
DOE OSTI2020

AUTONOMIE VID

Autonomie Vehicle Information Database (VID) offers a comprehensive list of vehicle specifications since 1990. The database details more than 65,000 vehicles with hundreds of attributes. The database is the result of the development of a general automated data collection framework as well as the development of building blocks for processing, cleaning, integrating and analyzing complex data. The data has undergone several layers of outlier detections processes, machine learning based imputations methods have been used to deal with missing data problems, and new fields have been created according to the rules of feature engineering. Thanks to this streamlined data pipelines, the resulting processed aggregated data should deliver a unique level of information to the user in which the content can be efficiently maintained and updated.

Moswd, Ayman↗
DOE OSTI2023

Factors Influencing Building Demand Flexibility

The U.S. Department of Energy’s National Roadmap for Grid-interactive Efficient Buildings (GEB) acknowledged that building demand flexibility (DF) is both an important strategy to decarbonizing the buildings sector and an important resource for meeting the changing needs of the electrical grid such as improving grid reliability. However, understanding the complexity and uncertainties in real building field performance of DF strategies is a large gap hindering stakeholders on both grid and buildings side to make investments on deploying such strategies. The research work in this report intended to advance understanding of the variability and influential factors in building demand flexibility. Adding such knowledge based on lab testing results and measured performance data from real buildings is an important contribution. The report uses standardized metrics and methods to quantify DF performance from field-measured DF datasets of two significant building groups of big-box retail and medium office buildings to present the challenge of building DF variability in multiple dimensions. The report presents findings related to how several key factors influence building demand flexibility from implementing a common, cost-effective DF control strategy (i.e., adjusting zone temperatures). The findings are supported by full-scale lab testing, field data analysis and simulation research. The authors also provided application-oriented recommendations to stakeholders such as building aggregators, utility program design professionals, sophisticated building portfolio owners, and more.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

47 Tuc in Rubin Data Preview 1. Exploring Early LSST Data and Science Potential

We present analyses of the early data from Rubin Observatory’s Data Preview 1 (DP1) for the field of the globular cluster 47 Tuc. The DP1 data set for 47 Tuc includes four nights of observations from the Rubin Commissioning Camera (LSSTComCam), covering multiple bands (ugriy). We address challenges of crowding in the inner region of the cluster and toward the SMC in DP1, and demonstrate improved star–galaxy separation by fitting fifth-degree polynomials to the stellar loci in color–color diagrams and applying multidimensional sigma clipping. We compile a catalog of 3576 probable 47 Tuc member stars selected via a combination of isochrone, Gaia proper-motion, and color–color space matched filtering. We explore the sources of photometric scatter in the 47 Tuc color–color sequence, evaluating contributions from various potential sources, including differential extinction within the cluster. Finally, of the 72 well-characterized variables in the field, we recover three known variable stars, including two RR Lyrae and one eclipsing binary, in the coadd-based object catalog, and identify 62 in the difference image-based object catalog. Although the DP1 lightcurves have sparse temporal sampling, they appear to follow the patterns of densely sampled literature lightcurves well. Despite some data limitations for crowded-field stellar analysis, DP1 demonstrates the promising scientific potential for future LSST data releases.

Choi, Yumi [NSF National Optical-Infrared Astronom↗
DOE OSTI2021

ESS-DIVE reporting format for field measurements of soil respiration

This is a new data and metadata reporting format for soil respiration data, based on engagement with a wide range of researchers in the earth and ecological sciences as well as expert advisory panels. Reporting formats are intended to be ‘bottom-up’, community-developed documents and templates that can enable consistent, findable, accessible, interoperable, and reproducible (FAIR) data; our goal was a reporting format that would be relevant and useful for synthesis activities, optimizing data discoverability and usability while not placing an undue burden on data contributors. The format is split into two levels of information—metadata about chambers (used to measure soil respiration in the field), and the measured data themselves. The file data_reportingformat_template.xlsx contains information on how the data table should be structured, including field names, field descriptions, and units; the chammetadata_reportingformat_template.xlsx file contains similar information for the chamber-level metadata. Fundamentally, this format aims to enable FAIR data through an easy-to-use guide for data providers interested in formatting their data in a common way, and provide ‘future-proofing’ capabilities to support reanalyses of soil respiration data, a globally-important component of the carbon cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Assimilation of Multiscale Data into Multifidelity Biogeochemical Models (Final Report)

Quantitative predictions of subsurface processes rely on computational models that capture, with different degrees of fidelity, complex interactions between hydrologic and biogeochemical processes. Molecular- and pore-scale models provide a high-fidelity representation of these processes but are impractical at the field scale. Reduced complexity (e.g., field-scale or data-driven) models sacrifice some degree of fidelity in favor of computational efficiency. Uncertainty and assimilation of data into model predictions, pose a question of model selection: Given a significant difference in computational cost, can a lower-fidelity model be preferable to its higher-fidelity counterpart? Since a predictive model must be computable in reasonable time it has to operate at the field scale, with molecular- and pore-scale data (obtained either from simulations or measurements) determining both the model's structure and parameters. Availability of such multi-resolution data raises a question hitherto undressed in hydrogeology: Can a coarse model dynamically ``learn'' its own structure (e.g., adjust the reaction pathways in its transport module) as more fine-scale data become available during simulations? Our results in multifidelity simulations, data assimilation, and machine learning led us to hypothesize that the answer to these questions is ``yes''. The overarching goal of this project was to confirm this hypothesis by developing scalable, computationally efficient tools for assimilation of data into multiscale models, in which fine-scale data and simulations dynamically inform and autonomously modify coarse-scale models. Our research led to nine manuscripts, three of which have been published and the other six are currently under review.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗