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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Cooperative Metal+Ligand Oxidative Addition and Sigma-Bond Metathesis: A DFT Study

A computational study of the experimentally proposed mechanism of alkyne diboration by a PDICo complex yielded two fundamental catalytic steps that undergo remarkable electronic changes, PDI = bis(imino)-pyridine. The reactions are envisaged via DFT (density functional theory) and MCSCF (multi-configuration self-consistent field) simulations as (i) a cooperative metal+ligand oxidative addition, and (ii) a sigma-bond metathesis induced ligand-to-metal charge transfer. Analysis of the bonding of pertinent intermediates/TSs also yielded important insight that may be illuminating with regards to the larger field of green catalysis that seeks to ennoble base metals through synergy with potentially redox non-innocent (RNI) ligands. For the present case, massive changes in electronic structure do not incur massive energetic penalties. Finally, in conjunction with previous research, one may postulate that structural and energetic “fluidity” among several electronic states of RNI-M 3d along the reaction coordinate is an essential signature of redox cooperativity and thus ennoblement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A holistic cyber-physical security protocol for authenticating the provenance and integrity of structural health monitoring imagery data

Modern infrastructure systems, such as bridges, dams, power generation stations, and buildings increasingly have an intrinsic cyber-physical nature to them. Infrastructure now commonly, includes actuators, network connections, sensors, control systems, and computational resources. It is of increasing concern that modern infrastructure is vulnerable to cyber-attacks that can damage both the cyber and physical nature of the infrastructure. To date, the physical and cyber health of infrastructure has been considered separately. However, the increasing concerns associated with the cyber-physical security of infrastructure coupled with the emergence of 5G networks made using components that are not universally considered trustworthy, and the emergence of techniques for creating deepfakes and adversarial examples suggests the time has come to begin considering cyber health and structural health with a more holistic approach. In this work, a protocol is developed for ensuring the imagery data captured by a structural health monitoring system can be unambiguously attributed to legitimate sensors associated with the structural health monitoring system. A computer vision approach based on the idea of mutual information is then presented to detect damage in an image. This work presents the protocol for authenticating the provenance of imager data and demonstrates that this protocol does not have overly adverse effects when used with the mutual information-based technique for detecting damage in the resulting imagery data.

Jung, HweeKwon↗
NASA NTRS1973

Digital processing of Mariner 9 television data.

The digital image processing performed by the Image Processing Laboratory (IPL) at JPL in support of the Mariner 9 mission is summarized. The support is divided into the general categories of image decalibration (the removal of photometric and geometric distortions from returned imagery), computer cartographic projections in support of mapping activities, and adaptive experimenter support (flexible support to provide qualitative digital enhancements and quantitative data reduction of returned imagery). Among the tasks performed were the production of maximum discriminability versions of several hundred frames to support generation of a geodetic control net for Mars, and special enhancements supporting analysis of Phobos and Deimos images.

Green, W. B.↗
NASA NTRS1987

Ray tracing of Jovian decametric radiation from Southern and Northern Hemisphere sources - Comparison with Voyager observations

The Voyager 1 and 2 Planetary Radio Astronomy observations of Io-dependent decametric (DAM) radiation originating from the Southern Hemisphere of Jupiter were compared with the results of three-dimensional model ray tracing calculations of the DAM radiation. The ray trajectories for sources located at constant sub-Io longitudes of 260 and 300 deg were computed for both the Northern and the Southern Jovian Hemisphere sources. The model results of wave propagation agree with the Voyager observations obtained with Io located at 260 and 300 deg in Jovian system III longitude. The agreement between the Voyager observations and the model ray tracings allows identification of the origin of several of the emission components.

Menietti, J. Douglas↗
NASA NTRS2009

Turbulent Supersonic/Hypersonic Heating Correlations for Open and Closed Cavities

Supersonic/hypersonic laminar heating correlations that were developed for damage assessment analysis of atmospheric re-entry vehicles have been modified and extended to cover fully-turbulent conditions over rectangular cavity geometries that are aligned with the local velocity. Turbulent boundary layer properties were computationally determined and used to develop the cavity geometry parametrics and to correlate experimental closed cavity heating data to yield new relationships for the floor-averaged and centerline endwall peak-heating augmentation. With the form of the closed-cavity correlations established, historical data were used to develop new correlations for turbulent open-cavity heating.

Everhart, Joel L.↗
DOE OSTI2016

A 3-D Journey Through a Cell's Nucleus

This animation shows a 3-D rendering of a nucleus in a mouse cell known as a “neuronal progenitor.” The view shown here slices from the surface of the nucleus through to its other side, and is color-coded for two types of genetic material: heterochromatin (blue) and euchromatin (green). The gold color represents mitochondria, the energy production center in cells. Heterochromatin is believed to be the most tightly packed form of chromatin. Neuronal progenitor cells resemble stem cells in that they have the ability to specialize into different cell types, though with a more limited range of differentiation. (Credit: Berkeley Lab, UCSF)

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

ARPA-E Grid Optimization (GO) Competition Challenge 2

The ARPA-E Grid Optimization (GO) Competition Challenge 2, from 2020 to 2021, expanded upon the problem posed in Challenge 1 by adding adjustable transformer tap ratios, phase shifting transformers, switchable shunts, price-responsive demand, ramp rate constrained generators and loads, and fast-start unit commitment. Furthermore, Challenge 2 was a maximization problem while Challenge 1 was a minimization problem. Specifically, the economic surplus, defined as the benefit of serving load minus the cost of generation, is being maximized. It was expected that the objective value of a given solution should be positive, representing economic gain, but negative objectives from poor solutions were possible. The two code submission feature of Challenge 1 was maintained. Additionally, Divisions 3 and 4 within the competition permitted on/off switching of transmission lines (Divisions 1 and 2 did not). After the initial release of the Problem Formulation on 7/20/2020, ARPA-E Director Lane Genatowski announced Challenge 2 on 9/12/2020. The final May 31, 2021, version of the Problem Formulation was 97 pages long with 299 equations. The Challenge proceeded with 2 non-prize Events and 2 prize Events. Teams receiving Challenge 1 FOA awards and prize money were required to use the prize money to fund their Challenge 2 efforts (Georgia Institute of Technology, Global Optimal Technology, Inc., Lawrence Livermore National Laboratory, Lehigh University, Northwestern University, Artelys, Columbia, Pearl Street Technologies, Pennsylvania State University, and University of Colorado Boulder). For more information on the competition and challenge 2 see the "GO Competition Challenge 2 Information" resource below. Challenge 1 and Challenge 3 information can be found in the resources linked below.

ACOPF↗
DOE OSTI2016

H II region ionization of the interstellar medium: a case study of NGC 7538

Using data from the Green Bank Telescope, we analyze the radio continuum (free–free) and radio recombination line (RRL) emission of the compact H ii region NGC 7538 (Sharpless 158). We detect extended radio continuum and hydrogen RRL emission beyond the photodissociation region (PDR) toward the north and east, but a sharp decrease in emission toward the south and west. This indicates that a non-uniform PDR morphology is affecting the amount of radiation “leaking” through the PDR. The strongest carbon RRL emission is found in the western PDR that appears to be dense. We compute a leaking fraction f {sub R} = 15 ± 5% of the radio continuum emission measured in the plane of the sky which represents a lower limit when accounting for the three-dimensional geometry of the region. We detect an average {sup 4}He{sup +}/H{sup +} abundance ratio by number of 0.088 ± 0.003 inside the H ii region and a decrease in this ratio with increasing distance from the region beyond the PDR. Using Herschel Space Observatory data, we show that small dust temperature enhancements to the north and east of NGC 7538 coincide with extended radio emission, but that the dust temperature enhancements are mostly contained within a second PDR to the east. Unlike the giant H ii region W43, the radiation leaking from NGC 7538 seems to only affect the local ambient medium. This suggests that giant H ii regions may have a large effect in maintaining the ionization of the interstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2016

Erasing the Milky Way: New Cleaning Technique Applied to GBT Intensity Mapping Data

We present the first application of a new foreground removal pipeline to the current leading HI intensity mapping dataset, obtained by the Green Bank Telescope (GBT). We study the 15- and 1-h field data of the GBT observations previously presented in Masui et al. (2013) and Switzer et al. (2013), covering about 41 square degrees at 0.6 less than z is less than 1.0, for which cross-correlations may be measured with the galaxy distribution of the WiggleZ Dark Energy Survey. In the presented pipeline, we subtract the Galactic foreground continuum and the point source contamination using an independent component analysis technique (fastica), and develop a Fourier-based optimal estimator to compute the temperature power spectrum of the intensity maps and cross-correlation with the galaxy survey data. We show that fastica is a reliable tool to subtract diffuse and point-source emission through the non-Gaussian nature of their probability distributions. The temperature power spectra of the intensity maps is dominated by instrumental noise on small scales which fastica, as a conservative sub-traction technique of non-Gaussian signals, can not mitigate. However, we determine similar GBT-WiggleZ cross-correlation measurements to those obtained by the Singular Value Decomposition (SVD) method, and confirm that foreground subtraction with fastica is robust against 21cm signal loss, as seen by the converged amplitude of these cross-correlation measurements. We conclude that SVD and fastica are complementary methods to investigate the foregrounds and noise systematics present in intensity mapping datasets.

Wolz, L.↗
NASA NTRS1973

Monitoring the vernal advancement and retrogradation (green wave effect) of natural vegetation

The author has identified the following significant results. Continued evaluation of autumnal phase and early vernal phase data indicate that the quality of ERTS-1 imagery over the Great Plains Corridor test sites are adequate to show relatively small temporal changes in the condition and quantity of vegetation at the several test sites. Vegetation changes measured from August through April are observable in reflectance changes recorded by ERTS-1. Vegetation changes due to grazing treatment and environmental conditions at the test sites are being monitored with ground data and ERTS-1 data, and appear adequate to complete all phases of the Great Plains Corridor investigation. NASA high flight aerial photography proved to be an indispensable tool for locating the Great Plains Corridor test sites on the computer derived grey maps of ERTS-1 digital data.

Rouse, J. W., Jr.↗
DOE OSTI2013

Application of High Performance Computing for Simulating the Unstable Dynamics of Dilute Spark-Ignited Combustion

In collaboration with a major automotive manufacturer, we are using computational simulations of in-cylinder combustion to understand the multi-scale nonlinear physics of the dilute stability limit. Because some key features of dilute combustion can take thousands of successive cycles to develop, the computation time involved in using complex models to simulate these effects has limited industrys ability to exploit simulations in optimizing advanced engines. We describe a novel approach for utilizing parallel computations to reveal long-timescale features of dilute combustion without the need to simulate many successive engine cycles in series. Our approach relies on carefully guided, concurrent, single-cycle simulations to create metamodels that preserve the long-timescale features of interest. We use a simplified combustion model to develop and demonstrate our strategy for adaptively guiding the concurrent simulations to generate metamodels. We next will implement this strategy with higher-fidelity, multi-scale combustion models on large computing facilities to generate more refined metamodels. The refined metamodels can then be used to accelerate engine development because of their efficiency. Similar approaches might also be used for rapidly exploring the dynamics of other complex multi-scale systems that evolve with serial dependency on time.

Finney, Charles↗
DOE OSTI2023

Compression of tokamak boundary plasma simulation data using a maximum volume algorithm for matrix skeleton decomposition

This report demonstrates satisfactory data compression of SOLPS-ITER simulation output ranging from 2D fields, 1D profiles, and 0D scalar variables with a novel matrix decomposition approach. The singular value decomposition (SVD) scales poorly for large matrix sizes and is unsuited to the application on high dimensional data common to fusion plasma physics simulation. In this work, we employ the columns-submatrix-rows (CUR) matrix factorization technique in order to compute a low-rank approximation up to two orders of magnitude faster than the SVD, but within a nominal L2-norm relative error of ε = 10 –2 . In addition, the CUR approach maintains the original format of the data, in its extracted columns and rows, allowing for interpretable data storage at the original resolution of the simulation. We utilize an iterative algorithm to compute the CUR decomposition of simulation output by maximizing the volume, or linearly independent information content, of a low-rank submatrix contained within the data. Experiments over $\textit{n} × \textit{n}$ randomized test matrices with embedded rank-deficient features show that this maximum volume implementation of CUR matrix approximation has reduced asymptotic computational complexity on the order of n compared to the SVD, which scales approximately as $n^3$. These results show that the CUR technique can be used to effectively select time step snapshots (columns) of over 140 SOLPS-ITER output variables and the associated discretized coordinate timeseries (rows) allowing for reconstruction of the complete simulation dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Hadron structure from lattice QCD

Recent progress in lattice QCD calculations of nucleon structure will be presented. Calculations of nucleon matrix elements and form factors have long been difficult to reconcile with experiment, but with advances in both methodology and computing resources, this situation is improving. Some calculations have produced agreement with experiment for key observables such as the axial charge and electromagnetic form factors, and the improved understanding of systematic errors will help to increase confidence in predictions of unmeasured quantities. The long-omitted disconnected contributions are now seeing considerable attention and some recent calculations of them will be discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

The Role of Ion Acoustic Instability in the Development of the Azimuthal Current Density Profile in Liner Experiments at 1 MA

Recent work reported on the current density in pulsed-power-driven liners where a vacuum gap was introduced in the power feed connecting the liner to the generator. The resultant gap flashover generates azimuthally localized current-carrying plasma channels, which can create an azimuthal nonuniformity in the current density. The current density evolves during the current pulse, but nonuniformity is observed through the experiment timescale. Magnetohydrodynamic simulation work in 3-D demonstrates the difficulty in reproducing the experimental data within a limited computational domain, and those boundary conditions may dominate this paper. Furthermore, the development of current-driven instabilities in the plasma channels can explain the liner current density evolution, and specifically the ion acoustic instability can account for the main features observed in the experiments.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Electron deposition in water vapor, with atmospheric applications.

Examination of the consequences of electron impact on water vapor in terms of the microscopic details of excitation, dissociation, ionization, and combinations of these processes. Basic electron-impact cross-section data are assembled in many forms and are incorporated into semianalytic functions suitable for analysis with digital computers. Energy deposition in water vapor is discussed, and the energy loss function is presented, along with the 'electron volts per ion pair' and the efficiencies of energy loss in various processes. Several applications of electron and water-vapor interactions in the atmospheric sciences are considered, in particular, H2O comets, aurora and airglow, and lightning.

Olivero, J. J.↗
NASA NTRS1976

Monitoring complex trace-gas mixtures by long-path laser absorption spectrometry

Laser-based spectrophotometric methods, which have been proposed for the detection of trace concentrations of gaseous contaminants, include Raman and passive radiometry. The paper discusses a simple long-path laser absorption method which is capable of resolving complex mixtures of closely related trace contaminants at ppm levels. A number of species were selected which are most likely to accumulate in closed environments, such as submarines or long-duration manned space flights. Absorption coefficients at CO2 laser wavelengths were measured, accurate to + 3 per cent or better, for each of these species. This data base was then used to determine the presence and concentration of the contaminants in prepared mixtures of 12 to 15 gases. Computer programs have been developed which will permit a real-time analysis of the monitored atmosphere. Minimum detectable concentrations for individual species are generally in the ppm range, and are not seriously degraded by interferences even in complex mixtures. Estimates of the dynamic range of this monitoring technique for various system configurations and comparison with other methods of analysis are discussed

Green, B. D.↗
NASA NTRS1980

Development and usage of a false color display technique for presenting Seasat-A scatterometer data

A computer generated false color program which creates digital multicolor graphics to display geophysical surface parameters measured by the Seasat-A satellite scatterometer (SASS) is described. The data is incrementally scaled over the range of acceptable values and each increment and its data points are assigned a color. The advantage of the false color display is that it visually infers cool or weak data versus hot or intense data by using the rainbow of colors. For example, with wind speeds, levels of yellow and red could be used to imply high winds while green and blue could imply calmer air. The SASS data is sorted into geographic regions and the final false color images are projected onto various world maps with superimposed land/water boundaries.

Jackson, C. B.↗
NASA NTRS1976

Detection and mapping of mineralized areas in the Cortez-Uinta Belt, Utah-Nevada, using computer-enhanced ERTS imagery

The author has identified the following significant results. Mineralogical differences between hydrothermally altered rocks and most unaltered rocks in south central Nevada cause visible and near infrared (0.45-2.4 micron) spectral reflectance differences which can be used to discriminate broad categories of rocks in multispectral images. The most important mineralogical differences are the increased abundance of goethite, hematite, jarosite, alunite, montmorillonite, and kaolinite in the altered zones. Because of the wavelength positions and widths of the LANDSAT MSS bands, these spectral differences are not apparent in individual or color infrared composite MSS images. The technique developed to enhance these subtle spectral differences combines ratioing of the MSS bands and contrast stretching. Field evaluation of color-ratio composite shows that, after exclusion of alluvial areas, approximately 80% of the green and brown color patterns are related to hydrothermal alteration. The remaining 20% consists mainly of pink hematitic crystallized tuff and tan or red ferruginous shale and siltstone.

Rowan, L. C.↗