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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
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.↗
NASA NTRS1976

Atmospheric structure and variability in areas of convective storms determined from 3-h rawinsonde data

The structure and variability of the atmosphere in areas of radar-observed convection were established by using 3-h rawinsonde and surface data from NASA's second Atmospheric Variability Experiment. Convective activity was shown to exist in areas where the low and middle troposphere is moist and the air is potentially and convectively unstable and has upward motion, in combination with positive moisture advection, at either the surface or within the boundary layer. The large variability of the parameters associated with convective storms over time intervals less than 12 h was also demonstrated so as to possibly produce a change in the probability of convective activity by a factor of 8 or more in 3 h. Between 30 and 60 percent of the total changes in parameters associated with convective activity over a 12-h period were shown to take place during a 3-h period. These large changes in parameters are related to subsynoptic-scale systems that often produce convective storms.

Wilson, G. S.↗
DOE OSTI2022

A New Workflow of X-ray CT Image Processing and Data Analysis of Structural Features in Rock Using Open-Source Software

X-ray computed tomography (CT) images of rock specimens often contain artifacts which must be corrected before scientific analyses are performed. Here, we present a new workflow of automated image processing to utilize poor-quality X-ray CT scan images. The workflow runs on the open-source image analysis software and efficiently separates desired features from low-contrast scanned images. The new workflow is a two-step technique using contrast enhancement and automated feature segmentation to generate noise-free binary images. The results of binary images using the proposed workflow and using a conventional thresholding technique are analyzed to show the quality of the proposed method. The paper also presents a workflow of estimating the structural geometries of features in two and three dimensions. The results of the structural feature analyses and computational time were compared between the open-source (ImageJ) and commercial image analysis software (Bruker Computed Tomography Analyzer). The commercial software was more computationally efficient, but the task-specific macros in open-source software enabled the user-desired automation in image processing and data extraction of desired structural features of comparable quality.

47 OTHER INSTRUMENTATION↗
NASA NTRS1981

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

Magnetic fields were measured from October 1979 until June 1980 using the satellite. The processed magnetic data yield long wavelength anomalies that arise from crustal and upper mantle sources. Analysis techniques are being developed to help interpret the structure and character of the lithosphere in central North America. The region includes the Midcontinent Gravity Anomaly peleorift zone and the New Madrid rift/seismic zone, both of which are of plaeotectonic and neotectonic interest. Preliminary analysis of the initial MAGSAT data combined with correlative geological and geophysical data shows the utility of the satellite data for regional crustal and basement study.

Carmichael, R. S.↗
DOE OSTI2021

Replication Data for: Predicting X-ray Photoelectron Peak Shapes: the Effect of Electronic Structure

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Determination of airplane model structure from flight data by using modified stepwise regression

The linear and stepwise regressions are briefly introduced, then the problem of determining airplane model structure is addressed. The MSR was constructed to force a linear model for the aerodynamic coefficient first, then add significant nonlinear terms and delete nonsignificant terms from the model. In addition to the statistical criteria in the stepwise regression, the prediction sum of squares (PRESS) criterion and the analysis of residuals were examined for the selection of an adequate model. The procedure is used in examples with simulated and real flight data. It is shown that the MSR performs better than the ordinary stepwise regression and that the technique can also be applied to the large amplitude maneuvers.

Klein, V.↗
DOE OSTI2024

Exploring the impact of high-precision top-quark pair production data on the structure of the proton at the LHC

The impact of recent LHC top-quark pair production single differential cross section measurements at 13 TeV collision energy on the structure of the proton is explored. In particular, the impact of these high-precision data on the gluon and other parton distribution functions (PDFs) of the proton at intermediate and large partonic momentum fraction x is analyzed. This study extends the CT18 global analysis framework to include these new data. The interplay between top-quark pair and inclusive jet production as well as other processes at the LHC, is studied. In addition, a study of the impact of scale choice on the theory description of the new 13 TeV t t ¯ measurements is performed. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
NASA NTRS1981

Use of Magsat anomaly data for crustal structure and mineral resources in the US midcontinent

Magnetic profiles on individual satellites tracks were examined to identify bad (nonterrestrially-based) data points r profiles. Anomaly profiles for the same satellite track, but at different passes were compared for parallel tracks and for tracks that cross. The selected and processed data were plotted and contoured to develop a preliminary magnetic anomaly map. The map is similar in general morphology to NASA's Magsat global scalar anomaly map, but has more detail which is related to crustal properties. Efforts have begun to interpret the satellite magnetic anomalies in terms of crustal character. The correlation of magnetics with crustal petrology may have a much larger tectonic implication. Th possibility of there being an ultramafic lower crust along one zone as a consequence of a continental collision/subduction which helped form the midcontinent craton in Precambrian times is being investigated.

Carmichael, R. S.↗
NASA NTRS1989

Space Shuttle Main Engine structural analysis and data reduction/evaluation. Volume 7: High pressure fuel turbo-pump third stage impeller analysis

This volume summarizes the analysis used to assess the structural life of the Space Shuttle Main Engine (SSME) High Pressure Fuel Turbo-Pump (HPFTP) Third Stage Impeller. This analysis was performed in three phases, all using the DIAL finite element code. The first phase was a static stress analysis to determine the mean (non-varying) stress and static margin of safety for the part. The loads involved were steady state pressure and centrifugal force due to spinning. The second phase of the analysis was a modal survey to determine the vibrational modes and natural frequencies of the impeller. The third phase was a dynamic response analysis to determine the alternating component of the stress due to time varying pressure impulses at the outlet (diffuser) side of the impeller. The results of the three phases of the analysis show that the Third Stage Impeller operates very near the upper limits of its capability at full power level (FPL) loading. The static loading alone creates stresses in some areas of the shroud which exceed the yield point of the material. Additional cyclic loading due to the dynamic force could lead to a significant reduction in the life of this part. The cyclic stresses determined in the dynamic response phase of this study are based on an assumption regarding the magnitude of the forcing function.

Pool, Kirby V.↗
DOE OSTI2017

Structure of thermoelectric films of higher manganese silicide on silicon according to electron microscopy data

The structural features of higher manganese-silicide films obtained by the diffusion doping of single-crystal silicon substrates with manganese vapor in a sealed cell and a flow-through quartz reactor with continuous pumping are comparatively analyzed. Scanning electron microscopy and high-resolution transmission electron microscopy show that a single-phase textured film of higher manganese silicide is formed in the evacuated cell. A change in the growth conditions from steady (cell) to quasi-steady-state (reactor) leads to the formation of polycrystalline islands of higher manganese silicide with nanoscale inclusions of the manganese- monosilicide phase.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Interhemispheric comparison of atmospheric circulation features as evaluated from Nimbus satellite data

Atmospheric structure derived from satellite, multichannel radiance data is used to calculate zonally averaged vertical motions in the wintertime stratosphere of both hemispheres using a heat budget approach. The Northern Hemisphere calculations based on the satellite data are shown to compare favorably with a computation carried out with conventional data, and with results of previous studies. The mean Southern Hemisphere pattern for the month of July 1969 indicates a two-celled structure with the high latitude cell centered at 60-65S. The axis of sinking motion in this cell is at approximately 50S, while the rising motion is centered at 70S. Thus the Antarctic stratospheric jet stream is associated with an indirect cell. Two individual ten-day periods from July 1969 are examined to compare the mean meridional circulation and eddy heat flux patterns in the Southern Hemisphere during a minor midwinter warming and during a quiet period.

Reiter, E. R.↗
DOE OSTI2024

An Active Learning-Based Streaming Pipeline for Reduced Data Training of Structure Finding Models in Neutron Diffractometry

Structure determination workloads in neutron diffractometry are computationally expensive and routinely require several hours to many days to determine the structure of a material from its neutron diffraction patterns. The potential for machine learning models trained on simulated neutron scattering patterns to significantly speed up these tasks have been reported recently. However, the amount of simulated data needed to train these models grows exponentially with the number of structural parameters to be predicted and poses a significant computational challenge. To overcome this challenge, we introduce a novel batch-mode active learning (AL) policy that uses uncertainty sampling to simulate training data drawn from a probability distribution that prefers labelled examples about which the model is least certain. We confirm its efficacy in training the same models with ∼ 75% less training data while improving the accuracy. We then discuss the design of an efficient stream-based training workflow that uses this AL policy and present a performance study on two heterogeneous platforms to demonstrate that, compared with a conventional training workflow, the streaming workflow delivers ∼ 20% shorter training time without any loss of accuracy.

Wang, Tianle [Brookhaven National Laboratory (BNL)↗
DOE OSTI2025

Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis

New higher-count-rate, integrating, large-area X-ray detectors with framing rates as high as 17400 images per second are beginning to be available. These will soon be used for specialized macromolecular crystallography experiments but will require optimal lossy compression algorithms to enable systems to keep up with data throughput. Some information may be lost. Can we minimize this loss with acceptable impact on structural information? To explore this question, we have considered several approaches: summing short sequences of images, binning to create the effect of larger pixels, use of JPEG-2000 lossy wavelet-based compression, and use of Hcompress, which is a Haar-wavelet-based lossy compression borrowed from astronomy. We also explore the effect of the combination of summing, binning, and Hcompress or JPEG-2000. In each of these last two methods one can specify approximately how much one wants the result to be compressed from the starting file size. These provide particularly effective lossy compressions that retain essential information for structure solution from Bragg reflections.

47 OTHER INSTRUMENTATION↗