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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 OSTI2023

MLMOD: Machine Learning Methods for Data-Driven Modeling in LAMMPS

MLMOD is a software package for incorporating machine learning approaches and models into simulations of microscale mechanics and molecular dynamics in LAMMPS. Recent machine learning approaches provide promising data-driven approaches for learning representations for system behaviors from experimental data and high fidelity simulations. The package facilitates learning and using data-driven models for (i) dynamics of the system at larger spatial-temporal scales (ii) interactions between system components, (iii) features yielding coarser degrees of freedom, and (iv) features for new quantities of interest characterizing system behaviors. MLMOD provides hooks in LAMMPS for (i) modeling dynamics and time-step integration, (ii) modeling interactions, and (iii) computing quantities of interest characterizing system states. The package allows for use of machine learning methods with general model classes including Neural Networks, Gaussian Process Regression, Kernel Models, and other approaches. Here we discuss our prototype C++/Python package, aims, and example usage. For related papers, examples, updates, and additional information see https://github.com/atzberg/mlmod and http://atzberger.org/.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Compendium of NASA data base for the global tropospheric experiment's Transport and Atmospheric Chemistry Near the Equator-Atlantic (TRACE-A)

This compendium describes aircraft data that are available from NASA's Transport and Atmospheric Chemistry near the Equator - Atlantic (TRACE-A) conducted in September/October 1992. The broad objectives of TRACE-A were to study chemical processes and long-range transport associated with South American and African continental outflow during periods of widespread vegetation burning, and to understand the ozone enhancements observed from satellite data measured over the southern tropical Atlantic Ocean during the September/October time period. Flight experiments were conducted from Brazil, South Africa, Namibia, and the Ascension Island. This document provides a representation of aircraft data that are available from NASA Langley's Distributed Active Archive Center (DAAC). The data format of time series and altitude profile plots is not intended to support original analyses, but to assist the reader in identifying data that are of interest. This compendium is for only the NASA aircraft data. The DAAC data base includes numerous supporting data-meteorological products, results from surface studies, satellite observations, and data from sonde releases.

Gregory, Gerald L.↗
NASA NTRS2003

Compendium of NASA Data Base for the Global Tropospheric Experiment's Transport and Chemical Evolution Over the Pacific (TRACE-P): DC-8 - Volume 1

This report provides a compendium of NASA aircraft data that are available from NASA's Global Tropospheric Experiment's (GTE) Transport and Chemical Evolution over the Pacific (TRACE-P) Mission. The broad goal of TRACE-P was to characterize the transit and evolution of the Asian outflow over the western Pacific. Conducted from February 24 through April 10, 2001, TRACE-P integrated airborne, satellite- and ground-based observations, as well as forecasts from aerosol and chemistry models. The format of this compendium utilizes data plots (time series) of selected data acquired aboard the NASA/Dryden DC-8 (vol. 1) and NASA/Wallops P-3B (vol. 2) aircraft during TRACE-P. The purpose of this document is to provide a representation of aircraft data that are available in archived format via NASA Langley s Distributed Active Archive Center (DAAC) and through the GTE Project Office archive. The data format is not intended to support original research/analyses, but to assist the reader in identifying data that are of interest.

Kleb, Mary M.↗
NASA NTRS2003

Compendium of NASA Data Base for the Global Tropospheric Experiment's Transport and Chemical Evolution Over the Pacific (TRACE-P): P-3B - Volume 2

This report provides a compendium of NASA aircraft data that are available from NASA's Global Tropospheric Experiment's (GTE) Transport and Chemical Evolution over the Pacific (TRACE-P) Mission. The broad goal of TRACE-P was to characterize the transit and evolution of the Asian outflow over the western Pacific. Conducted from February 24 through April 10, 2001, TRACE-P integrated airborne, satellite- and ground based observations, as well as forecasts from aerosol and chemistry models. The format of this compendium utilizes data plots (time series) of selected data acquired aboard the NASA/Dryden DC-8 (vol. 1) and NASA/Wallops P-3B (vol. 2) aircraft during TRACE-P. The purpose of this document is to provide a representation of aircraft data that are available in archived format via NASA Langley's Distributed Active Archive Center (DAAC) and through the GTE Project Office archive. The data format is not intended to support original research/analyses, but to assist the reader in identifying data that are of interest.

Kleb, Mary M.↗
NASA NTRS2015

Earth Science Informatics - Overview

Over the last 10-15 years, significant advances have been made in information management, there are an increasing number of individuals entering the field of information management as it applies to Geoscience and Remote Sensing data, and the field of informatics has come to its own. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of science data, information, and knowledge. Informatics also includes the use of computers and computational methods to support decision making and applications. Earth Science Informatics (ESI, a.k.a. geoinformatics) is the application of informatics in the Earth science domain. ESI is a rapidly developing discipline integrating computer science, information science, and Earth science. Major national and international research and infrastructure projects in ESI have been carried out or are on-going. Notable among these are: the Global Earth Observation System of Systems (GEOSS), the European Commissions INSPIRE, the U.S. NSDI and Geospatial One-Stop, the NASA EOSDIS, and the NSF DataONE, EarthCube and Cyberinfrastructure for Geoinformatics. More than 18 departments and agencies in the U.S. federal government have been active in Earth science informatics. All major space agencies in the world, have been involved in ESI research and application activities. In the United States, the Federation of Earth Science Information Partners (ESIP), whose membership includes nearly 150 organizations (government, academic and commercial) dedicated to managing, delivering and applying Earth science data, has been working on many ESI topics since 1998. The Committee on Earth Observation Satellites (CEOS)s Working Group on Information Systems and Services (WGISS) has been actively coordinating the ESI activities among the space agencies. Remote Sensing; Earth Science Informatics, Data Systems; Data Services; Metadata

Remote Sensing; Earth Science Informatics↗
NASA NTRS2017

Earth Science Informatics - Overview

Over the last 10-15 years, significant advances have been made in information management, there are an increasing number of individuals entering the field of information management as it applies to Geoscience and Remote Sensing data, and the field of informatics has come to its own. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of science data, information, and knowledge. Informatics also includes the use of computers and computational methods to support decision making and applications. Earth Science Informatics (ESI, a.k.a. geoinformatics) is the application of informatics in the Earth science domain. ESI is a rapidly developing discipline integrating computer science, information science, and Earth science. Major national and international research and infrastructure projects in ESI have been carried out or are on-going. Notable among these are: the Global Earth Observation System of Systems (GEOSS), the European Commissions INSPIRE, the U.S. NSDI and Geospatial One-Stop, the NASA EOSDIS, and the NSF DataONE, EarthCube and Cyberinfrastructure for Geoinformatics. More than 18 departments and agencies in the U.S. federal government have been active in Earth science informatics. All major space agencies in the world, have been involved in ESI research and application activities. In the United States, the Federation of Earth Science Information Partners (ESIP), whose membership includes over 180 organizations (government, academic and commercial) dedicated to managing, delivering and applying Earth science data, has been working on many ESI topics since 1998. The Committee on Earth Observation Satellites (CEOS)s Working Group on Information Systems and Services (WGISS) has been actively coordinating the ESI activities among the space agencies.

Data Systems↗
NASA NTRS2017

Earth Science Informatics - Overview

Over the last 10-15 years, significant advances have been made in information management, there are an increasing number of individuals entering the field of information management as it applies to Geoscience and Remote Sensing data, and the field of informatics has come to its own. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of science data, information, and knowledge. Informatics also includes the use of computers and computational methods to support decision making and applications. Earth Science Informatics (ESI, a.k.a. geoinformatics) is the application of informatics in the Earth science domain. ESI is a rapidly developing discipline integrating computer science, information science, and Earth science. Major national and international research and infrastructure projects in ESI have been carried out or are on-going. Notable among these are: the Global Earth Observation System of Systems (GEOSS), the European Commissions INSPIRE, the U.S. NSDI and Geospatial One-Stop, the NASA EOSDIS, and the NSF DataONE, EarthCube and Cyberinfrastructure for Geoinformatics. More than 18 departments and agencies in the U.S. federal government have been active in Earth science informatics. All major space agencies in the world, have been involved in ESI research and application activities. In the United States, the Federation of Earth Science Information Partners (ESIP), whose membership includes over 180 organizations (government, academic and commercial) dedicated to managing, delivering and applying Earth science data, has been working on many ESI topics since 1998. The Committee on Earth Observation Satellites (CEOS)s Working Group on Information Systems and Services (WGISS) has been actively coordinating the ESI activities among the space agencies.The talk will present an overview of current efforts in ESI, the role members of IEEE GRSS play, and discuss recent developments in data preservation and provenance.

Remote Sensing↗
NASA NTRS2017

Earth Science Informatics - Overview

Over the last 10-15 years, significant advances have been made in information management, there are an increasing number of individuals entering the field of information management as it applies to Geoscience and Remote Sensing data, and the field of informatics has come to its own. Informatics is the science and technology of applying computers and computational methods to the systematic analysis, management, interchange, and representation of science data, information, and knowledge. Informatics also includes the use of computers and computational methods to support decision making and applications. Earth Science Informatics (ESI, a.k.a. geoinformatics) is the application of informatics in the Earth science domain. ESI is a rapidly developing discipline integrating computer science, information science, and Earth science. Major national and international research and infrastructure projects in ESI have been carried out or are on-going. Notable among these are: the Global Earth Observation System of Systems (GEOSS), the European Commissions INSPIRE, the U.S. NSDI and Geospatial One-Stop, the NASA EOSDIS, and the NSF DataONE, EarthCube and Cyberinfrastructure for Geoinformatics. More than 18 departments and agencies in the U.S. federal government have been active in Earth science informatics. All major space agencies in the world, have been involved in ESI research and application activities. In the United States, the Federation of Earth Science Information Partners (ESIP), whose membership includes over 180 organizations (government, academic and commercial) dedicated to managing, delivering and applying Earth science data, has been working on many ESI topics since 1998. The Committee on Earth Observation Satellites (CEOS)s Working Group on Information Systems and Services (WGISS) has been actively coordinating the ESI activities among the space agencies.The talk will present an overview of current efforts in ESI, the role members of IEEE GRSS play, and discuss recent developments in data preservation and provenance.

Remote Sensing↗
DOE OSTI2016

On the elimination of the electronic structure bottleneck in on the fly nonadiabatic dynamics for small to moderate sized (10-15 atom) molecules using fit diabatic representations based solely on ab initio electronic structure data: The photodissociation of phenol

In this work, we demonstrate that for moderate sized systems, here a system with 13 atoms, global coupled potential energy surfaces defined for several electronic states over a wide energy range and for distinct regions of nuclear coordinate space characterized by distinct electron configurations, can be constructed with precise energetics and an excellent description of non-adiabatic interactions in all regions. This is accomplished using a recently reported algorithm for constructing quasi-diabatic representations, H{sup d}, of adiabatic electronic states coupled by conical intersections. In this work, the algorithm is used to construct an H{sup d} to describe the photodissociation of phenol from its first and second excited electronic states. The representation treats all 33 internal degrees of freedom in an even handed manner. The ab initio adiabatic electronic structure data used to construct the fit are obtained exclusively from multireference configuration interaction with single and double excitation wave functions comprised of 88 × 10{sup 6} configuration state functions, at geometries determined by quasi-classical trajectories. Since the algorithm uses energy gradients and derivative couplings in addition to electronic energies to construct H{sup d}, data at only 7379 nuclear configurations are required to construct a representation, which describes all nuclear configurations involved in H atom photodissociation to produce the phenoxyl radical in its ground or first excited electronic state, with a mean unsigned energy error of 202.9 cm{sup −1} for electronic energies <60 000 cm{sup −1}.

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

Automating Traffic Microsimulation from SYNCHRO UTDF to SUMO

Modern transportation research relies on seamlessly integrating traffic signal data with robust network representation and simulation tools. This study presents utdf2gmns, an open-source Python tool that automates conversion of the Universal Traffic Data Format, including network representation, signalized intersections, and turning volumes into the General Modeling Network Specification (GMNS) Standard. The resulting GMNS-compliant network can be converted for microsimulation in SUMO. By automatically extracting intersection control parameters and aligning them with GMNS conventions, utdf2gmns minimizes manual preprocessing and data loss. utdf2gmns also integrates with the Sigma-X engine to extract and visualize key traffic control metrics, such as phasing diagrams, turning volumes, volume-tocapacity ratios, and control delays. This streamlined workflow enables efficient scenario testing, accurate model building, and consistent data management. Validated through case studies, utdf2gmns reliably models complex urban corridors, promoting reproducibility and standardization. Documentation is available on GitHub and PyPI, supporting easy integration and community engagement.

Luo, Roy [ORNL] (ORCID:0009000312909983)↗
NASA NTRS1990

Local spatial frequency analysis for computer vision

A sense of vision is a prerequisite for a robot to function in an unstructured environment. However, real-world scenes contain many interacting phenomena that lead to complex images which are difficult to interpret automatically. Typical computer vision research proceeds by analyzing various effects in isolation (e.g., shading, texture, stereo, defocus), usually on images devoid of realistic complicating factors. This leads to specialized algorithms which fail on real-world images. Part of this failure is due to the dichotomy of useful representations for these phenomena. Some effects are best described in the spatial domain, while others are more naturally expressed in frequency. In order to resolve this dichotomy, we present the combined space/frequency representation which, for each point in an image, shows the spatial frequencies at that point. Within this common representation, we develop a set of simple, natural theories describing phenomena such as texture, shape, aliasing and lens parameters. We show these theories lead to algorithms for shape from texture and for dealiasing image data. The space/frequency representation should be a key aid in untangling the complex interaction of phenomena in images, allowing automatic understanding of real-world scenes.

Krumm, John↗
DOE OSTI2023

Method for simultaneous characterization and expansion of reference libraries for small molecule identification

A variational autoencoder (VAE) has been developed to learn a continuous numerical, or latent, representation of molecular structure to expand reference libraries for small molecule identification. The VAE has been extended to include a chemical property decoder, trained as a multitask network, to shape the latent representation such that it assembles according to desired chemical properties. The approach is unique in its application to metabolomics and small molecule identification, focused on properties that are obtained from experimental measurements (m/z, CCS) paired with its training paradigm, which involves a cascade of transfer learning iterations. First, molecular representation is learned from a large dataset of structures with m/z labels. Next, in silico property values are used to continue training. Finally, the network is further refined by being trained with the experimental data. The trained network is used to predict chemical properties directly from structure and generate candidate structures with desired chemical properties. The network is extensible to other training data and molecular representations, and for use with other analytical platforms, for both chemical property and feature prediction as well as molecular structure generation.

Colby, Sean M.↗
NASA NTRS2013

Usage of Data-Encoded Web Maps with Client Side Color Rendering for Combined Data Access, Visualization and Modeling Purposes

Current approaches to satellite observation data storage and distribution implement separate visualization and data access methodologies which often leads to the need in time consuming data ordering and coding for applications requiring both visual representation as well as data handling and modeling capabilities. We describe an approach we implemented for a data-encoded web map service based on storing numerical data within server map tiles and subsequent client side data manipulation and map color rendering. The approach relies on storing data using the lossless compression Portable Network Graphics (PNG) image data format which is natively supported by web-browsers allowing on-the-fly browser rendering and modification of the map tiles. The method is easy to implement using existing software libraries and has the advantage of easy client side map color modifications, as well as spatial subsetting with physical parameter range filtering. This method is demonstrated for the ASTER-GDEM elevation model and selected MODIS data products and represents an alternative to the currently used storage and data access methods. One additional benefit includes providing multiple levels of averaging due to the need in generating map tiles at varying resolutions for various map magnification levels. We suggest that such merged data and mapping approach may be a viable alternative to existing static storage and data access methods for a wide array of combined simulation, data access and visualization purposes.

Pliutau, Denis↗
DOE OSTI2019

Advanced Laboratory and Field Arrays: Accelerate the development of next-generation marine energy conversion systems (Task 3)

This task successfully improved the representation of extreme conditions in wave resource characterization. The previous state of the art to characterize extreme conditions was a purely statistical representation of buoy data; Generalized Extreme Value (GEV) techniques are used to extrapolate joint histograms of significant wave height Hs and energy period T e for a given return period. The task confirmed that H s and T e alone are a poor representation of the actual hazards in extreme events, during which WECs many experience significant impacts from wave groups and breaking waves (i.e., it is not simply the largest wave that may produce the worst condition for a WEC). This task improved both prediction of extreme conditions with “third generation” spectral models, such as WAVEWATCHIII and WAM, and observational quantification of the wave breaking impacts during extreme conditions.

13 HYDRO ENERGY↗
NASA NTRS1998

LAPS Lidar Measurements at the ARM Alaska Northslope Site (Support to FIRE Project)

This report consists of data summaries of the results obtained during the May 1998 measurement period at Barrow Alaska. This report does not contain any data interpretation or analysis of the results which will follow this activity. This report is forwarded with a data set on magnetic media which contains the reduced data from the LAPS lidar in 15 minute intervals. The data was obtained during the period 15-30 May 1998. The measurement period overlapped with several aircraft flights conducted by NASA as part of the FIRE project. The report contains a summary list of the data obtained plus figures that have been prepared to help visualize the measurement periods. The order of the presentation is as follows: Section 1. A copy of the Statement of Work for the planned activity of the second measurement period at the ARM Northslope site is provided. Section 2. A list of the data collection periods shows the number of one minute data records stored during each hour of operation and the corresponding size (Mbytes) of the one hour data folders. The folder and file names are composed from the year, month, day, hour and minute. The date/time information is given in UTC for easier comparison with other data sets. Section 3. A set of 4 comparisons between the LAPS lidar results and the sondes released by the ARM scientists from a location nearby the lidar. The lidar results show the +/- 1 sigma statistical error on each of the independent 75 m altitude bins of the data. This set of 4 comparisons was used to set and validate the calibration value which was then used for the complete data set. Section 4. A set of false color figures with up to 10 hours of specific humidity measurements are shown in each graph. Two days of measurements are shown on each page. These plots are crude representations of the data and permit a survey which indicates when the clouds were very low or where interesting events may occur in the results. These plots are prepared using the real time sequence plot program which has no smoothing in either the altitude or time (except that you are allowed to pick the integration time and time step. All of these plots were prepared with 15 minute integration and 5 minute time step. Section 5. A set of time sequence data for all of the extended observation periods are shown with a smoothing algorithm from the Matlab plotting library. Most of these data are integrated for 5 minutes and stepped at I minute intervals but several plots are shown with both 15 minute integration and 5 minute steps. The upper level on these data was selected and converted to the white background where the error in the specific humidity reached 25%. Section 6. The set of one hour integrated plots shown with up to 4 hours per page are provided- from the real time analysis snapshot program. The only difference in these plots and the real time display is that the plots are stopped at an altitude where the error appears to be too large for the data to contain any meaningful information.

Philbrick, C. Russell↗
NASA NTRS2008

Sensitivity of June Near-Surface Temperatures and Precipitation in the Eastern United States to Historical Land Cover Changes Since European Settlement

Land cover changes alter the near surface weather and climate. Changes in land surface properties such as albedo, roughness length, stomatal resistance, and leaf area index alter the surface energy balance, leading to differences in near surface temperatures. This study utilized a newly developed land cover data set for the eastern United States to examine the influence of historical land cover change on June temperatures and precipitation. The new data set contains representations of the land cover and associated biophysical parameters for 1650, 1850, 1920, and 1992, capturing the clearing of the forest and the expansion of agriculture over the eastern United States from 1650 to the early twentieth century and the subsequent forest regrowth. The data set also includes the inferred distribution of potentially water-saturated soils at each time slice for use in the sensitivity tests. The Regional Atmospheric Modeling System, equipped with the Land Ecosystem-Atmosphere Feedback (LEAF-2) land surface parameterization, was used to simulate the weather of June 1996 using the 1992, 1920, 1850, and 1650 land cover representations. The results suggest that changes in surface roughness and stomatal resistance have caused present-day maximum and minimum temperatures in the eastern United States to warm by about 0.3 C and 0.4 C, respectively, when compared to values in 1650. In contrast, the maximum temperatures have remained about the same, while the minimums have cooled by about 0.1 C when compared to 1920. Little change in precipitation was found.

Strack, John E.↗
NASA NTRS2003

Detailed Vibration Analysis of Pinion Gear with Time-Frequency Methods

In this paper, the authors show a detailed analysis of the vibration signal from the destructive testing of a spiral bevel gear and pinion pair containing seeded faults. The vibration signal is analyzed in the time domain, frequency domain and with four time-frequency transforms: the Short Time Frequency Transform (STFT), the Wigner-Ville Distribution with the Choi-Williams kernel (WV-CW), the Continuous Wavelet' Transform (CWT) and the Discrete Wavelet Transform (DWT). Vibration data of bevel gear tooth fatigue cracks, under a variety of operating load levels and damage conditions, are analyzed using these methods. A new metric for automatic anomaly detection is developed and can be produced from any systematic numerical representation of the vibration signals. This new metric reveals indications of gear damage with all of the time-frequency transforms, as well as time and frequency representations, on this data set. Analysis with the CWT detects changes in the signal at low torque levels not found with the other transforms. The WV-CW and CWT use considerably more resources than the STFT and the DWT. More testing of the new metric is needed to determine its value for automatic anomaly detection and to develop fault detection methods for the metric.

Mosher, Marianne↗
DOE OSTI2022

Speed of Sound Measurements of Binary Mixtures of Difluoromethane (R-32) with 2,3,3,3-Tetrafluoropropene (R-1234yf) or trans-1,3,3,3-Tetrafluoropropene (R-1234ze(E)) Refrigerants

In this article, sound speed data measured using a dual-path pulse-echo instrument are reported for binary mixtures of difluoromethane (R-32) with 2,3,3,3-tetrafluoropropene (R-1234yf) or trans-1,3,3,3-tetrafluoropropene (R-1234ze(E)). The sound speed is reported at two compositions for each binary mixture of approximately (0.33/67) and (0.67/0.33) mole fraction at temperatures between 230 K and 345 K. Data are reported from pressures slightly above the bubble point to 12 MPa for R-32/1234yf mixtures to avoid potential polymerization reactions and to 53 MPa for the R-32/1234ze(E) mixtures. The mean uncertainty of the sound speed data are less than 0.1% of the measured value where uncertainties at individual state points range from 0.04% to 0.5% of the measured value as the conditions approach the mixture critical region. The reported data are compared to available Helmholtz-energy-explicit EOS included in REFPROP and all systems studied have average absolute deviations greater than 2%. The comparisons show that further adjustments to the mixture models are needed to provide a reasonable representation of the data within its experimental uncertainty.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗