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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences

Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), the US data center for the global PDB archive and a founding member of the Worldwide Protein Data Bank partnership, serves tens of thousands of data depositors in the Americas and Oceania and makes 3D macromolecular structure data available at no charge and without restrictions to millions of RCSB.org users around the world, including >660 000 educators, students and members of the curious public using PDB101.RCSB.org. PDB data depositors include structural biologists using macromolecular crystallography, nuclear magnetic resonance spectroscopy, 3D electron microscopy and micro-electron diffraction. PDB data consumers accessing our web portals include researchers, educators and students studying fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences. During the past 2 years, the research-focused RCSB PDB web portal (RCSB.org) has undergone a complete redesign, enabling improved searching with full Boolean operator logic and more facile access to PDB data integrated with >40 external biodata resources. New features and resources are described in detail using examples that showcase recently released structures of SARS-CoV-2 proteins and host cell proteins relevant to understanding and addressing the COVID-19 global pandemic.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

A dynamic data-driven method for dealing with model structural error in soil moisture data assimilation

Attributing to the flexibility in considering various types of observation error and model error, data assimilation has been increasingly applied to dynamically improve soil moisture modeling in many hydrological practices. However, accurate characterization of model error, especially the part caused by defective model structure, presents a significant challenge to the successful implementation of data assimilation. Model structural error has received limited attention relative to parameter and input errors, mainly due to our poor understanding of structural inadequacy and the difficulties in parameterizing structural error. In this paper, we present a dynamic data-driven approach to estimate the model structural error in soil moisture data assimilation without the need for identifying error generation mechanism or specifying particular form for the error model. The error model is based on the Gaussian process regression and then integrated into the ensemble Kalman filter (EnKF) to form a hybrid method for dealing with multi-source model errors. Two variants of the hybrid method in terms of two different error correction manners are proposed. The effectiveness of the proposed method is tested through a suit of synthetic cases and a real-world case. Results demonstrate the potential of the proposed hybrid method for estimating model structural error and providing improved model predictions. Compared to the traditional EnKF without explicitly considering the model structural error, parameter compensation issue is obviously reduced and soil moisture retrieval is substantially improved.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Data-driven, structure-preserving approximations to entropy-based moment closures for kinetic equations

In this study, we present a data-driven approach for approximating entropy-based closures of moment systems from kinetic equations. The proposed closure learns the entropy function by fitting the map between the moments and the entropy of the moment system, and thus does not depend on the spacetime discretization of the moment system or specific problem configurations such as initial and boundary conditions. With convex and C 2 approximations, this data-driven closure inherits several structural properties from entropy-based closures, such as entropy dissipation, hyperbolicity, and H-Theorem. We construct convex approximations to the Maxwell–Boltzmann entropy using convex splines and neural networks, test them on the plane source benchmark problem for linear transport in slab geometry, and compare the results to the standard, entropy-based systems which solve a convex optimization problem to find the closure. Numerical results indicate that these data-driven closures provide accurate solutions in much less computation time than that required by the optimization routine.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2019

The Seismic Experiment for Interior Structure (SEIS): Experiment Data Distribution

The six sensors of SEIS (The Seismic Experiment for Interior Structure) [- one of three primary instruments on NASA's Mars Lander Insight] cover a broad range of the seismic bandwidth, from 0.01 hertz to 50 hertz, with possible extension to longer periods. Data are transmitted in the form of three continuous VBB (Very Broad-Band) components at 2 samples per second (sps), an estimation of the short period (SP) energy content from the SP at 1 sps, and a continuous compound VBB/SP vertical axis at 10 sps. The continuous streams are augmented by requested event data with sample rates from 20 to 100 sps. SEIS data products are downlinked from the spacecraft in raw CCSDS (Consultative Committee for Space Data Systems) packets and converted to both the Standard for the Exchange of Earthquake Data (SEED) format files and ASCII tables (GeoCSV) for analysis and archiving. Metadata are available in dataless SEED and StionXML. Time series data (waveforms) are available in miniseed and GeoCSV. Data are distributed according to FDSN (Federation of Digital Seismograph Networks - http://www.fdsn.org) formats and interfaces. Wind, pressure and temperature data from the Auxiliary Payload Sensor Suite (APSS) will also be available in SEED format, and can be used for decorrelation and diagnostic purposes on SEIS.

Pardo, Constanza↗
DOE OSTI2019

The Morphology and Structure of Stellar Populations in the Fornax Dwarf Spheroidal Galaxy from Dark Energy Survey Data

Using deep wide-field photometry 3 yr data (Y3) from the Dark Energy Survey (DES), we introduce a panoramic study of the Fornax dwarf spheroidal galaxy. The data discussed here—a small subset of the full survey—uniformly cover a region of 25 deg 2 centered on the galaxy to a depth of g ~ 23.5. We use these data to study the structural properties of Fornax, overall stellar population, and its member stars in different evolutionary phases. We also search for possible signs of tidal disturbance. Fornax is found to be significantly more spatially extended than what early studies suggested. No statistically significant distortions or signs of tidal disturbances were found down to a surface brightness limit of ~32.1 mag arcsec -2 . Yet, there are hints of shell-like features located ~20'–40' from the center of Fornax that may be stellar debris from past merger events. We also find that intermediate-age and young main-sequence populations show different orientation at the galaxy center and have many substructures. The deep DES Y3 data allow us to characterize the age of those young stellar substructures with great accuracy, both those previously known and those newly identified as possible overdensities in this work, on the basis of their color–magnitude diagram morphology. We find that the youngest overdensities are all found on the eastern side of Fornax, where the Fornax field population itself is slightly younger than in the west. In summary, the high-quality DES Y3 data reveal that Fornax has many rich structures and provide insights into its complex formation history.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Feature selection and the information content of Thematic Mapper simulator data for forest structural assessment

An assessment is made of the information content of Thematic Mapper Simulator (TMS) data for the case of a forested region, in order to determine the sensitivity of such data to forest crown closure and tree size class. Principal components analysis and Monte Carlo simulation indicated that channels 4, 7, 5 and 3 were optimal for four-channel forest structure analysis. As the number of channels supplied to the Monte Carlo feature selection routine increased, classification accuracy increased. The greatest sensitivity to the forest structural parameters, which included succession within clearcuts as well as crown closure and size class, was obtained from the 7-channel TMS data.

Spanner, M. A.↗
NASA NTRS1976

Data management in engineering

An introduction to computer based data management is presented with an orientation toward the needs of engineering application. The characteristics and structure of data management systems are discussed. A link to familiar engineering applications of computing is established through a discussion of data structure and data access procedures. An example data management system for a hypothetical engineering application is presented.

Browne, J. C.↗
DOE OSTI2025

LinkML: an open data modeling framework

Background Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, nonstandardized spreadsheets, or data repositories. This lack of structure challenges interoperability, making data integration, validation, and reuse difficult. Findings LinkML (Linked Data Modeling Language) is an open framework that simplifies the process of authoring, validating, and sharing data. LinkML can describe a range of data structures, from flat, list-based models to complex, interrelated, and normalized models that utilize polymorphism and compound inheritance. It offers an approachable syntax that is not tied to any one technical architecture and can be integrated seamlessly with many existing frameworks. The LinkML syntax provides a standard way to describe schemas, classes, and relationships, allowing modelers to build well-defined, stable, and optionally ontology-aligned data structures. Once defined, LinkML schemas may be imported into other LinkML schemas. These key features make LinkML an accessible platform for interdisciplinary collaboration and a reliable way to define and share data semantics. Conclusions LinkML helps reduce heterogeneity, complexity, and the proliferation of single-use data models while simultaneously enabling compliance with FAIR (Findable, Accessible, Interoperable, and Reusable) data standards. LinkML has seen increasing adoption in various fields, including biology, chemistry, biomedicine, microbiome research, finance, electrical engineering, transportation, and commercial software development. In short, LinkML makes implicit models explicitly computable and allows data to be standardized at their origin. LinkML documentation and code are available at https://linkml.io/.

AI-ready data↗
NASA NTRS1989

Space Shuttle Main Engine structural analysis and data reduction/evaluation. Volume 3A: High pressure oxidizer turbo-pump preburner pump housing stress analysis report

The model generation and structural analysis performed for the High Pressure Oxidizer Turbopump (HPOTP) preburner pump volute housing located on the main pump end of the HPOTP in the space shuttle main engine are summarized. An ANSYS finite element model of the volute housing was built and executed. A static structural analysis was performed on the Engineering Analysis and Data System (EADS) Cray-XMP supercomputer

Shannon, Robert V., Jr.↗
DOE OSTI2020

Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data

In the past few decades, prediction of macromolecular structures beyond the native conformation has been aided by the development of molecular dynamics (MD) protocols aimed at exploration of the energetic landscape of proteins. Yet, the computed structures do not always agree with experimental observables, calling for further development of the MD strategies to bring the computations and experiments closer together. Here, we report a scalable, efficient MD simulation approach that incorporates an x-ray solution scattering signal as a driving force for the conformational search of stable structural configurations outside of the native basin. We further demonstrate the importance of inclusion of the hydration layer effect for a precise description of the processes involving large changes in the solvent exposed area, such as unfolding. Utilization of the graphics processing unit allows for an efficient all-atom calculation of scattering patterns on-the-fly, even for large biomolecules, resulting in a speed-up of the calculation of the associated driving force. The utility of the methodology is demonstrated on two model protein systems, the structural transition of lysine-, arginine-, ornithine-binding protein and the folding of deca-alanine. We discuss how the present approach will aid in the interpretation of dynamical scattering experiments on protein folding and association.

Hsu, Darren J.↗
NASA NTRS1997

STS-74/Mir Photogrammetric Appendage Structural Dynamics Experiment Preliminary Data Analysis

The Photogrammetric Appendage Structural Dynamics Experiment was designed, developed, and flown to demonstrate and prove measurement of the structural vibration response of a Russian Space Station Mir solar array using photogrammetric methods. The experiment flew on the STS-74 Space Shuttle mission to Mir in November 1995 and obtained video imagery of solar array structural response to various excitation events. The video imagery has been digitized and triangulated to obtain response time history data at discrete points on the solar array. This data has been further processed using the Eigensystem Realization Algorithm modal identification technique to determine the natural vibration frequencies, damping, and mode shapes of the solar array. The results demonstrate that photogrammetric measurement of articulating, non-optically targeted, flexible solar arrays and appendages is a viable, low-cost measurement option for the International Space Station.

Gilbert, Michael G.↗
NASA NTRS1997

STS-74/MIR Photogrammetric Appendage Structural Dynamics Experiment Preliminary Data Analysis

The Photogrammetric Appendage Structural Dynamics Experiment was designed, developed, and flown to demonstrate and prove measurement of the structural vibration response of a Russian Space Station Mir solar array using photogrammetric methods. The experiment flew on the STS-74 Space Shuttle mission to Mir in November 1995 and obtained video imagery of solar array structural response to various excitation events. The video imagery has been digitized and triangulated to obtain response time history data at discrete points on the solar array. This data has been further processed using the Eigensystem Realization Algorithm modal identification technique to determine the natural vibration frequencies, damping, and mode shapes of the solar array. The results demonstrate that photogrammetric measurement of articulating, nonoptically targeted, flexible solar arrays and appendages is a viable, low-cost measurement option for the International Space Station.

Gilbert, Michael G.↗
DOE OSTI2023

Evaluating the pressure dependence of PZT structures using a virtual reality environment

Pb–Zr–Ti–O (PZT) perovskites span a large solid-solution range and have found widespread use due to their piezoelectric and ferroelectric properties that also span a large range. Crystal structure analysis via Rietveld refinement facilitates materials analysis via the extraction of the structural parameters. These parameters, often obtained as a function of an additional dimension (e.g., pressure), can help to diagnose materials response within a use environment. Often referred to as “ in-situ ” studies, these experiments provide an abundance of data. Viewing structural changes due to applied pressure conditions can give much-needed insight into materials performance. However, challenges exist for viewing/presenting results when the details are inherently three-dimensional (3D) in nature. For PZT perovskites, the use of polyhedra (e.g., Zr/Ti–O 6 octahedra) to view bonding/connectivity is beneficial; however, the visualization of the octahedra behavior with pressure dependence is less easily demonstrated due to the complexity of the added pressure dimension. We present a more intuitive visualization by projecting structural data into virtual reality (VR). We employ previously published structural data for Pb 0.99 (Zr 0.95 Ti 0.05 ) 0.98 Nb 0.02 O 3 as an exemplar for VR visualization of the PZT R3c crystal structure between ambient and 0.62 GPa pressure. This is accomplished via our in-house CAD2VR™ software platform and the new CrystalVR plugin. The use of the VR environment enables a more intuitive viewing experience, while enabling on-the-fly evaluation of crystal data, to form a detailed and comprehensive understanding of in-situ datasets. Discussion of methodology and tools for viewing are given, along with how recording results in video form can enable the viewing experience.

Rodriguez, Mark A. (ORCID:0000000269405044)↗
NASA NTRS1981

Use of MAGSAT anomaly data for crustal structure and mineral resources in the US Midcontinent

The analysis and preliminary interpretation of investigator-B MAGSAT data are addressed. The data processing included: (1) removal of spurious data points; (2) statistical smoothing along individual data tracks, to reduce the effect of geomagnetic transient disturbances; (3) comparison of data profiles spatially coincident in track location but acquired at different times; (4) reduction of data by weighted averaging to a grid with 1 deg xl deg latitude/longitude spacing, and with elevations interpolated and weighted to a common datum of 400 km; (5) wavelength filtering; and (6) reduction of the anomaly map to the magnetic pole. Agreement was found between a magnitude data anomaly map and a reduce-to-the-pole map supporting the general assumption that, on a large scale (long wavelength), it is induced crustal magnetization which is responsible for major anamalies. Anomalous features are identified and explanations are suggested with regard to crustal structure, petrologic characteristics, and Curie temperature isotherms.

Carmichael, R. S.↗