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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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NASA NTRS2007

Methods for Characterizing Fine Particulate Matter Using Satellite Remote-Sensing Data and Ground Observations: Potential Use for Environmental Public Health Surveillance

This study describes and demonstrates different techniques for surfacing daily environmental / hazards data of particulate matter with aerodynamic diameter less than or equal to 2.5 micrometers (PM2.5) for the purpose of integrating respiratory health and environmental data for the Centers for Disease Control and Prevention (CDC s) pilot study of Health and Environment Linked for Information Exchange (HELIX)-Atlanta. It described a methodology for estimating ground-level continuous PM2.5 concentrations using B-Spline and inverse distance weighting (IDW) surfacing techniques and leveraging National Aeronautics and Space Administration (NASA) Moderate Resolution Imaging Spectrometer (MODIS) data to complement The Environmental Protection Agency (EPA) ground observation data. The study used measurements of ambient PM2.5 from the EPA database for the year 2003 as well as PM2.5 estimates derived from NASA s satellite data. Hazard data have been processed to derive the surrogate exposure PM2.5 estimates. The paper has shown that merging MODIS remote sensing data with surface observations of PM2.5 not only provides a more complete daily representation of PM2.5 than either data set alone would allow, but it also reduces the errors in the PM2.5 estimated surfaces. The results of this paper have shown that the daily IDW PM2.5 surfaces had smaller errors, with respect to observations, than those of the B-Spline surfaces in the year studied. However the IDW mean annual composite surface had more numerical artifacts, which could be due to the interpolating nature of the IDW that assumes that the maxima and minima can occur only at the observation points. Finally, the methods discussed in this paper improve temporal and spatial resolutions and establish a foundation for environmental public health linkage and association studies for which determining the concentrations of an environmental hazard such as PM2.5 with good accuracy levels is critical.

Al-Hamdan, Mohammad Z.↗

DOE OSTI2017

MultiMatTest, Version 1.0

MultiMatTest is a demonstration code to support a talk and paper titled A Comparative Study of Multi-material Data Structures for Computational Physics Applications. The application times basic operations for different representations of multi-material data structures.

Robey, Robert W.↗

DOE OSTI2023

A robust estimator of mutual information for deep learning interpretability

Abstract We develop the use of mutual information (MI), a well-established metric in information theory, to interpret the inner workings of deep learning (DL) models. To accurately estimate MI from a finite number of samples, we present GMM-MI (pronounced ‘Jimmie’), an algorithm based on Gaussian mixture models that can be applied to both discrete and continuous settings. GMM-MI is computationally efficient, robust to the choice of hyperparameters and provides the uncertainty on the MI estimate due to the finite sample size. We extensively validate GMM-MI on toy data for which the ground truth MI is known, comparing its performance against established MI estimators. We then demonstrate the use of our MI estimator in the context of representation learning, working with synthetic data and physical datasets describing highly non-linear processes. We train DL models to encode high-dimensional data within a meaningful compressed (latent) representation, and use GMM-MI to quantify both the level of disentanglement between the latent variables, and their association with relevant physical quantities, thus unlocking the interpretability of the latent representation. We make GMM-MI publicly available in this GitHub repository.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1994

Vertical ocean loading amplitudes from VLBI measurements

Vertical ocean loading amplitudes are determined by analysis of IRIS geodetic Very Long Baseline Interferometry (VLBI) data. The 4 nearly diurnal (K(sub 1), P(sub 1), O(sub 1), Q(sub 1)) and 4 nearly semidiurnal (K(sub 2), S(sub 2), M(sub 2), and N(sub 2)) component amplitudes can be inferred from the data with accuracies of 1-2 mm. Uncertainties of total displacements can approach 1 cm. Empirically determined total displacements are considerably larger than the values calculated from two geophysical models. The Scherneck model is found to give a better representation of VLBI delay data than the model of Pagiatakis by about 3 mm in residuals at 6 sites. Empirical estimation of the ocean loading amplitudes reduces Chi squared by 3067 for the 96 additional degrees of freedom in a fit to 273,000 IRIS VLBI observations, and reduces the RMS residuals by 3 mm relative to a fit using the fixed Scherneck model. Vertical ocean loading amplitudes can thus be inferred from VLBI data at a level which improves the overall model, but detailed assessment of individual tidal components is presently obscured by incomplete modeling at the tidal frequencies.

Sovers, O. J.↗

NASA NTRS1989

Task-oriented display design: Concept and example

The general topic was in the area of display design alternatives for improved man-machine performance. The intent was to define and assess a display design concept oriented toward providing this task-oriented information. The major focus of this concept deals with the processing of data into parameters that are more relevant to the task of the human operator. Closely coupled to this concept of relevant information is the form or manner in which this information is actually presented. Conventional forms of presentation are normally a direct representation of the underlying data. By providing information in a form that is more easily assimilated and understood, a reduction in human error and cognitive workload may be obtained. A description of this proposed concept with a design example is provided. The application for the example was an engine display for a generic, twin-engine civil transport aircraft. The product of this concept was evaluated against a functionally similar, traditional display. The results of this evaluation showed that a task-oriented approach to design is a viable concept with regard to reducing user error and cognitive workload. The goal of this design process, providing task-oriented information to the user, both in content and form, appears to be a feasible mechanism for increasing the overall performance of a man-machine system.

Abbott, Terence S.↗

NASA NTRS1989

Task-oriented display design - Concept and example

Abbott, Terence S.↗

NASA NTRS2009

NASA Orbital Debris Engineering Model ORDEM2008 (Beta Version)

This is an interim document intended to accompany the beta-release of the ORDEM2008 model. As such it provides the user with a guide for its use, a list of its capabilities, a brief summary of model development, and appendices included to educate the user as to typical runtimes for different orbit configurations. More detailed documentation will be delivered with the final product. ORDEM2008 supersedes NASA's previous model - ORDEM2000. The availability of new sensor and in situ data, the re-analysis of older data, and the development of new analytical techniques, has enabled the construction of this more comprehensive and sophisticated model. Integrated with the software is an upgraded graphical user interface (GUI), which uses project-oriented organization and provides the user with graphical representations of numerous output data products. These range from the conventional average debris size vs. flux magnitude for chosen analysis orbits, to the more complex color-contoured two-dimensional (2-D) directional flux diagrams in terms of local spacecraft pitch and yaw.

Stansbery, Eugene G.↗

DOE OSTI2019

A data-driven framework for sparsity-enhanced surrogates with arbitrary mutually dependent randomness

The challenge of quantifying uncertainty propagation in real-world systems is rooted in the high-dimensionality of the stochastic input and the frequent lack of explicit knowledge of its probability distribution. Traditional approaches show limitations for such problems, especially when the size of the training data is limited. To address these diculties, we have developed a general framework of constructing surrogate models on spaces of stochastic input with arbitrary probability measure irrespective of the mutual dependencies between individual components of the random inputs and the analytical form. The present Data-driven Sparsity-enhancing Rotation for Arbitrary Randomness (DSRAR) framework includes a data-driven construction of multivariate polynomial basis for arbitrary mutually dependent probability measure and a sparsity enhancement rotation procedure. This sparsity-enhancing rotation method was initially proposed in our previous work [1] for Gaussian density distributions, which may not be feasible for non-Gaussian distributions due to the loss of orthogonality after the rotation. To remedy such diculties, we developed a new data-driven approach to construct orthonormal polynomials for polynomials for arbitrary mutually dependent (amdP) randomness, ensuring the constructed basis maintains the orthogonality/near-orthogonality with respect to the density of the rotated random vector, where directly applying the regular polynomial chaos including arbitrary polynomial chaos (aPC) [2] shows limitations due to the assumption of the mutual independence between the components of the random inputs. The developed DSRAR framework leads to accurate recovery, with only limited training data, of a sparse representation of the target functions. The eectiveness of our method is demonstrated in challenging problems such as PDEs and realistic molecular systems within high-dimensional conformational space (O(10)) where the underlying density is implicitly represented by a large collection of sample data, as well as systems with explicitly given non-Gaussian probabilistic measures.

Lei, Huan↗

NASA NTRS2019

NASA Orbital Debris Engineering Model ORDEM 3.1 - Software User Guide

This National Aeronautics and Space Administration (NASA) Orbital Debris Engineering Model (ORDEM) 3.1 Software User Guide accompanies delivery of the latest upgraded version of the model, ORDEM 3.1. The user guide also provides a top-level program description and a list of capabilities. It includes descriptions of runtime error and information codes, input/output file formats, runtimes for different orbit configurations, and how to use uncertainty files. ORDEM 3.1 supersedes the previous NASA Orbital Debris Program Office (ODPO) models – ORDEM 3.0 (Stansbery, et al. 2014) and ORDEM2000 (Liou, et al. 2002). The availability of new sensor and in situ data, re-analysis of older data, and development of new analytical techniques has enabled the construction of this more comprehensive and sophisticated model. An upgraded graphical user interface (GUI) is integrated with the software. This upgraded GUI uses project-oriented organization and provides the user with graphical representations of numerous output data products. For example, these range from the conventional flux vs. average debris size (or altitude bin) for chosen analysis orbits (or views) to the more complex color-contoured, two-dimensional (2-D) directional flux diagrams in local spacecraft elevation and azimuth. The current model, ORDEM 3.1, supports spacecraft as well as telescope/radar project assessments. ORDEM 3.1 contains updated debris populations covering low Earth orbit (LEO, up to 2000 km altitude) to geosynchronous orbit (GEO, up to 40,000 km altitude) and can assess debris calculations up to year 2050, extending coverage past the previous limit of 2035 in ORDEM 3.0. Although populations differ from its predecessor, ORDEM 3.1 is functionally the same as ORDEM 3.0 and can support ORDEM 3.0 projects through backward compatibility.

Vavrin, Andrew B.↗

NASA NTRS2023

NASA Orbital Debris Engineering Model ORDEM 3.2 – Software User Guide

This National Aeronautics and Space Administration (NASA) Orbital Debris Engineering Model (ORDEM) 3.2 Software User Guide accompanies delivery of the latest upgraded version of the model, ORDEM 3.2. The user guide also provides a top-level program description and a list of capabilities. It includes descriptions of runtime error and information codes, input/output file formats, runtimes for different orbit configurations, and how to use uncertainty files. ORDEM 3.2 supersedes the previous NASA Orbital Debris Program Office (ODPO) models – ORDEM 3.0 (Stansbery, et al. 2014) and ORDEM2000 (Liou, et al. 2002). The availability of new sensor and in situ data, re-analysis of older data, and development of new analytical techniques has enabled the construction of this more comprehensive and sophisticated model. An upgraded graphical user interface (GUI) is integrated with the software. This upgraded GUI uses project-oriented organization and provides the user with graphical representations of numerous output data products. For example, these range from the conventional flux vs. average debris size (or altitude bin) for chosen analysis orbits (or views) to the more complex color-contoured, two-dimensional (2-D) directional flux diagrams in local spacecraft elevation and azimuth. The current model, ORDEM 3.2, supports spacecraft as well as telescope/radar project assessments. ORDEM 3.2 contains updated debris populations covering low Earth orbit (LEO, up to 2000 km altitude) to geosynchronous orbit (GEO, up to 40,000 km altitude) and can assess debris calculations up to year 2050, extending coverage past the previous limit of 2035 in ORDEM 3.0. Although populations differ from its predecessor, ORDEM 3.2 is functionally the same as ORDEM 3.0 and can support ORDEM 3.0 projects through backward compatibility.

Andrew Vavrin↗

DOE OSTI2021

CASTELO: clustered atom subtypes aided lead optimization—a combined machine learning and molecular modeling method

Background: Drug discovery is a multi-stage process that comprises two costly major steps: pre-clinical research and clinical trials. Among its stages, lead optimization easily consumes more than half of the pre-clinical budget. We propose a combined machine learning and molecular modeling approach that partially automates lead optimization workflow in silico, providing suggestions for modification hot spots. Results: The initial data collection is achieved with physics-based molecular dynamics simulation. Contact matrices are calculated as the preliminary features extracted from the simulations. To take advantage of the temporal information from the simulations, we enhanced contact matrices data with temporal dynamism representation, which are then modeled with unsupervised convolutional variational autoencoder (CVAE). Finally, conventional and CVAE-based clustering methods are compared with metrics to rank the submolecular structures and propose potential candidates for lead optimization. Conclusion: With no need for extensive structure-activity data, our method provides new hints for drug modification hotspots which can be used to improve drug potency and reduce the lead optimization time. It can potentially become a valuable tool for medicinal chemists.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Pooling Data Improves Multimodel IDF Estimates over Median-Based IDF Estimates: Analysis over the Susquehanna and Florida

Traditional multimodel methods for estimating future changes in precipitation intensity, duration, and frequency (IDF) curves rely on mean or median of models’ IDF estimates. Such multimodel estimates are impaired by large estimation uncertainty, shadowing their efficacy in planning efforts. Here, assuming that each climate model is one representation of the underlying data generating process, i.e., the Earth system, we propose a novel extension of current methods through pooling model data: (i) evaluate performance of climate models in simulating the spatial and temporal variability of the observed annual maximum precipitation (AMP), (ii) bias-correct and pool historical and future AMP data of reasonably performing models, and (iii) compute IDF estimates in a nonstationary framework from pooled historical and future model data. Pooling enhances fitting of the extreme value distribution to the data and assumes that data from reasonably performing models represent samples from the “true” underlying data generating distribution. Through Monte Carlo simulations with synthetic data, we show that return periods derived from pooled data have smaller biases and lesser uncertainty than those derived from ensembles of individual model data. We apply this method to NA-CORDEX models to estimate changes in 24-h precipitation intensity–frequency (PIF) estimates over the Susquehanna watershed and Florida peninsula. Our approach identifies significant future changes at more stations compared to median-based PIF estimates. The analysis suggests that almost all stations over the Susquehanna and at least two-thirds of the stations over the Florida peninsula will observe significant increases in 24-h precipitation for 2–100-yr return periods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Automated classification of big X-ray diffraction data using deep learning models

Abstract In current in situ X-ray diffraction (XRD) techniques, data generation surpasses human analytical capabilities, potentially leading to the loss of insights. Automated techniques require human intervention, and lack the performance and adaptability required for material exploration. Given the critical need for high-throughput automated XRD pattern analysis, we present a generalized deep learning model to classify a diverse set of materials’ crystal systems and space groups. In our approach, we generate training data with a holistic representation of patterns that emerge from varying experimental conditions and crystal properties. We also employ an expedited learning technique to refine our model’s expertise to experimental conditions. In addition, we optimize model architecture to elicit classification based on Bragg’s Law and use evaluation data to interpret our model’s decision-making. We evaluate our models using experimental data, materials unseen in training, and altered cubic crystals, where we observe state-of-the-art performance and even greater advances in space group classification.

Chemistry↗

NASA NTRS1987

An unsupervised feature extraction method for high dimensional image data compaction

A new on-line unsupervised feature extraction method for high-dimensional remotely sensed image data compaction is presented. This method can be utilized to solve the problem of data redundancy in scene representation by satellite-borne high resolution multispectral sensors. The algorithm first partitions the observation space into an exhaustive set of disjoint objects. Then, pixels that belong to an object are characterized by an object feature. Finally, the set of object features is used for data transmission and classification. The example results show that the performance with the compacted features provides a slight improvement in classification accuracy instead of any degradation. Also, the information extraction method does not need to be preceded by a data decompaction.

Ghassemian, Hassan↗

NASA NTRS2000

Ocean Data from MODIS at the NASA Goddard DAAC

Terra satellite carrying the Moderate Resolution Imaging Spectroradiometer (MODIS) was successfully launched on December 18, 1999. Some of the 36 different wavelengths that MODIS samples have never before been measured from space. New ocean data products, which have not been derived on a global scale before, are made available for research to the scientific community. For example, MODIS uses a new split window in the four-micron region for the better measurement of Sea Surface Temperature (SST), and provides the unprecedented ability (683 nm band) to measure chlorophyll fluorescence. At full ocean production, more than a thousand different ocean products in three major categories (ocean color, sea surface temperature, and ocean primary production) are archived at the NASA Goddard Earth Sciences (GES) Distributed Active Archive Center (DAAC) at the rate of approx. 230GB/day. The challenge is to distribute such large volumes of data to the ocean community. It is achieved through a combination of public and restricted EOS Data Gateways, the GES DAAC Search and Order WWW interface, and an FTP site that contains samples of MODIS data. A new Search and Order WWW interface at http://acdisx.gsfc.nasa.gov/data/ developed at the GES DAAC is based on a hierarchical organization of data, will always return non-zero results. It has a very convenient geographical representation of five-minute data granule coverage for each day MODIS Data Support Team (MDST) continues the tradition of quality support at the GES DAAC for the ocean color data from the Coastal Zone Color Scanner (CZCS) and the Sea Viewing Wide Field-of-View Sensor (SeaWiFS) by providing expert assistance to users in accessing data products, information on visualization tools, documentation for data products and formats (Hierarchical Data Format-Earth Observing System (HDF-EOS)), information on the scientific content of products and metadata. Visit the MDST website at http://daac.gsfc.nasa.gov/CAMPAIGN DOCS/MODIS/index.html

Leptoukh, Gregory G.↗

NASA NTRS1978

Tradeoff analysis with lithium cells

Characteristic data, primarily on high rate lithium sulfur dioxide design (basically in the D and DD cell configuration), both before and after much exposure to environmental conditions are discussed. The environmental as opposed to signle cells. Discussion was generated among the Workshop participants and comments and questions are reported. Graphical representations of the test data are presented.

Bennett, C.↗

NASA NTRS1994

A new algorithm for five-hole probe calibration, data reduction, and uncertainty analysis

A new algorithm for five-hole probe calibration and data reduction using a non-nulling method is developed. The significant features of the algorithm are: (1) two components of the unit vector in the flow direction replace pitch and yaw angles as flow direction variables; and (2) symmetry rules are developed that greatly simplify Taylor's series representations of the calibration data. In data reduction, four pressure coefficients allow total pressure, static pressure, and flow direction to be calculated directly. The new algorithm's simplicity permits an analytical treatment of the propagation of uncertainty in five-hole probe measurement. The objectives of the uncertainty analysis are to quantify uncertainty of five-hole results (e.g., total pressure, static pressure, and flow direction) and determine the dependence of the result uncertainty on the uncertainty of all underlying experimental and calibration measurands. This study outlines a general procedure that other researchers may use to determine five-hole probe result uncertainty and provides guidance to improve measurement technique. The new algorithm is applied to calibrate and reduce data from a rake of five-hole probes. Here, ten individual probes are mounted on a single probe shaft and used simultaneously. Use of this probe is made practical by the simplicity afforded by this algorithm.

Reichert, Bruce A.↗

DOE OSTI2019

Spectral notch interference mitigation for stretch processing synthetic aperture radar

Various technologies for mitigating interference in stretch-processed SAR imagery are described herein. Stretch-processed SAR data is received at a computing device. The stretch-processed (or deramped) SAR data is then reramped, thereby removing frequency-variant components of narrowband interference signals in the deramped data. A frequency-domain transform is executed over the reramped data to generate a spectral characteristic of the reramped data. A spectral notch filter is applied to frequency bands corresponding to the peaks of the spectral characteristic in order to filter out the narrowband interference signals. An inverse frequency-domain transform can then be executed over the filtered spectral characteristic to return to a phase-history representation of the SAR data. The phase history resulting from the inverse frequency-domain transform is a ramped phase history, which can then be deramped prior to use in connection with generating images of the scanned scene.

Musgrove, Cameron↗