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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

The Solar Energetic Particle Event of December 14, 2006

We report on observations of a solar energetic particle event by instruments on five different spacecraft: the Advanced Composition Explorer (ACE), STEREO A and B, WIND, and GOES II. The event began with a class X1.5 .soft x-ray flare in AR930 on December 14 at 22:15 UT. At this time the two STEREO spacecraft were located outside the Earth's magnetosphere and were heading for their first lunar swing-by on December 15. The x-ray event was located on the sun at W46, a longitude which is nominally well-connected magnetically to the Earth. An interplanetary shock, associated with an earlier X3.4 event on December 13 (also from AR930), passed the Earth on December 14 at approx.13:56 (time at ACE). The corresponding magnetic cloud arrived at approx.22 UT on December 14, close to the time of the onset of the particle event associated with the X1.5 flare, and extended until approx.08 UT on December 15. The intensity of approx.14 MeV protons at STEREO A shows three dips by factors of approx.10 or more during the early stages of this event while the spacecraft was within the magnetic cloud. Similar dips are seen for protons to at least 100 MeV. In principle, these dips could have been caused by changes in the magnetic field direction with respect to the particle telescope's field of view while viewing a beamed particle distribution. However, this possibility can be ruled out because the magnetic field at the spacecraft shows no evidence of such directional variations, and similar particle intensity dips were seen by instruments on other spacecraft in the near-Earth solar wind. We shall present evidence that the dips were actually associated with varying magnetic connection to the Sun within the magnetic cloud. These dips were not observed at GOES II, suggesting they were somehow smoothed out by passage into the magnetosphere.

vonRosenvinge, T. T.↗
NASA NTRS2011

Superpixel-Augmented Endmember Detection for Hyperspectral Images

Superpixels are homogeneous image regions comprised of several contiguous pixels. They are produced by shattering the image into contiguous, homogeneous regions that each cover between 20 and 100 image pixels. The segmentation aims for a many-to-one mapping from superpixels to image features; each image feature could contain several superpixels, but each superpixel occupies no more than one image feature. This conservative segmentation is relatively easy to automate in a robust fashion. Superpixel processing is related to the more general idea of improving hyperspectral analysis through spatial constraints, which can recognize subtle features at or below the level of noise by exploiting the fact that their spectral signatures are found in neighboring pixels. Recent work has explored spatial constraints for endmember extraction, showing significant advantages over techniques that ignore pixels relative positions. Methods such as AMEE (automated morphological endmember extraction) express spatial influence using fixed isometric relationships a local square window or Euclidean distance in pixel coordinates. In other words, two pixels covariances are based on their spatial proximity, but are independent of their absolute location in the scene. These isometric spatial constraints are most appropriate when spectral variation is smooth and constant over the image. Superpixels are simple to implement, efficient to compute, and are empirically effective. They can be used as a preprocessing step with any desired endmember extraction technique. Superpixels also have a solid theoretical basis in the hyperspectral linear mixing model, making them a principled approach for improving endmember extraction. Unlike existing approaches, superpixels can accommodate non-isometric covariance between image pixels (characteristic of discrete image features separated by step discontinuities). These kinds of image features are common in natural scenes. Analysts can substitute superpixels for image pixels during endmember analysis that leverages the spatial contiguity of scene features to enhance subtle spectral features. Superpixels define populations of image pixels that are independent samples from each image feature, permitting robust estimation of spectral properties, and reducing measurement noise in proportion to the area of the superpixel. This permits improved endmember extraction, and enables automated search for novel and constituent minerals in very noisy, hyperspatial images. This innovation begins with a graph-based segmentation based on the work of Felzenszwalb et al., but then expands their approach to the hyperspectral image domain with a Euclidean distance metric. Then, the mean spectrum of each segment is computed, and the resulting data cloud is used as input into sequential maximum angle convex cone (SMACC) endmember extraction.

Thompson, David R.↗
NASA NTRS2021

An Efficient and Accurate Algorithm for Computing Grid-Averaged Solar Fluxes for Horizontally Inhomogeneous Clouds

A computationally efficient method is presented to account for the horizontal cloud inhomogeneity by using a radiatively equivalent plane parallel homogeneous (PPH) cloud. The algorithm can accurately match the calculations of the reference (rPPH) independent column approximation (ICA) results, but use only the same computational time required for a single plane parallel computation. The effective optical depth of this synthetic sPPH cloud is derived by exactly matching the direct transmission to that of the inhomogeneous ICA cloud. The ffective9 scattering asymmetry factor is found from a pre-calculated albedo inverse look-up-table that is allowed to vary over the range from -1.0 to 1.0. In the special cases of conservative scattering and total absorption, the synthetic method is exactly equivalent to the ICA, with only a small bias (about 0.2% in flux) relative to ICA due to imperfect interpolation in using the look-up tables. In principle, the ICA albedo can be approximated accurately regardless of cloud inhomogeneity. For a more complete comparison, the broadband shortwave albedo and transmission calculated from the synthetic sPPH cloud and averaged over all incident directions, have the RMS biases of 0.26% and 0.76%, respectively, for inhomogeneous clouds over a wide variation of particle size. The advantages of the synthetic PPH method are that (1) it is not required that all the cloud subcolumns have uniform microphysical characteristic, (2) it is applicable to any 1D radiative transfer scheme, and (3) it can handle arbitrary cloud optical depth distributions and an arbitrary number of cloud subcolumns with uniform computational efficiency.

cloud inhomogeneity↗
DOE OSTI2020

Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through–Space Transport Pathways

The extension of reticular chemistry concepts to electrically conductive three-dimensional metal–organic frameworks (MOFs) has been challenging, particularly for cases in which strong interactions between electroactive linkers create the charge transport pathways. Here, we report the successful replacement of tetrathiafulvalene (TTF) with a nickel glyoximate core in a family of isostructural conductive MOFs with Mn 2+ , Zn 2+ , and Cd 2+ . Different coordination environments of the framework metals lead to variations in the linker stacking geometries and optical properties. Single-crystal conductivity data are consistent with charge transport along the linker stacking direction, with conductivity values only slightly lower than those reported for the analogous TTF materials. Lastly, these results serve as a case study demonstrating how reticular chemistry design principles can be extended to conductive frameworks with significant intermolecular contacts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Distributions of (C-13)O emission in the disks of late-type spiral galaxies

In studies of molecular clouds in external galaxies, the distribution of (C-12)O emissivity as a function of radius in a galaxy has been employed to infer the surface density of molecular hydrogen with galactocentric radius. In principle, observations of more optically thin molecular species, such as (C-13)O, can be used as an alternative tracer of the mass of molecular hydrogen in a galaxy. Since the (C-13)O lines have a much lower opacity than the saturated, nearly thermalized (C-12)O lines, their intensity variations as a function of galactocentric radius are more readily interpreted in terms of gas density variations. The first strip maps of the (C-13)O distributions in six spiral galaxies are presented, and the (C-13)O and (C-12)O radial distributions are compared. Attention is given to the reliability of H2 masses and H2 distributions derived from (C-12)O data.

Young, J. S.↗
NASA NTRS1993

Topographic mapping using a monopulse SAR system

Terrain height variations in mountainous areas cause two problems in the radiometric correction of SAR images: the first being that the wrong elevation angle may be used in correcting for the radiometric variation of the antenna pattern; the second that the local incidence angle used in correcting the projection of the pixel area from slant range to ground range coordinates may vary from that given by the flat earth assumption. We propose a novel design of a SAR system which exploits the monopulse principle to determine the elevation angle and thus the height at the different parts of the image. The key element of such a phase monopulse system is an antenna, which can be divided into a lower and upper half in elevation using a monopulse comparator. In addition to the usual sum pattern, the elevation difference pattern can be generated by a -pi phase shift on one half of the antenna. From the ratios of images radiometrically modulated by the difference and sum antenna pattern in cross-track direction, we can derive the appropriate elevation angle at any point in the image. Together with the slant range we can calculate the height of the platform above this point using information on the antenna pointing and the platform attitude. This operation, repeated at many locations throughout the image, allows us to build up a topographic map of the height of the aircraft above each location. Inversion of this map, using the precisely determined aircraft altitude and the accurate flight path, leads to the actual topography of the imaged surface. The precise elevation of one point in the image could also be used to convert the height map to a topographic map. In this paper, we present design considerations for a corresponding airborne SAR system in X-Band and give estimates of the error due to system noise and azimuth ambiguities as well as the expected performance and precision in topographic mapping.

Zink, M.↗
DOE OSTI2026

Luminescent Zr Complexes with Long-lived Intraligand Charge Transfer Excited States

Understanding and establishing design principles to tune the excited states of earth-abundant sensitizers is crucial for identifying new photosensitizers for sustainable technological advancements. Here, we report a series of three bis Zr (IV) complexes of tridentate, dianionic ligands incorporating two phenoxide donors and aza arene acceptors of increasing electron affinity (pyridine < pyrimidine < pyrazine ) that are air and water-stable. These complexes emit via thermally assisted delayed fluorescence from an intraligand charge transfer excited state with varying metal contributions. The electronic structural changes from different acceptors vary the excited state character and the photophysical properties significantly between the complexes. The variation in photophysics that includes emission lifetime (76 μs to 265 ns), intersystem crossing (ISC) lifetime ( 390 – 290 ps), and the energy difference between the singlet and triplet excited states (∆EST. 170 -100 meV). We observe solvent-independent ISC rates when the excited state has metal contributions (acceptor = pyridine), and the ISC rates vary significantly with solvent polarity when the excited state is an intra-ligand charge transfer state (acceptor = pyrimidine and pyrazine). Transient absorption measurements provided the basis spectra and verified the metal contribution in the excited state. This work provides a basis for developing new sensitizers based on Zr (IV) by providing design principles that can be used to modulate the character of the excited state and its photophysics.

Nattikallungal, Thabassum A. [University of Southe↗
DOE OSTI2021

Evaluating State Space Discovery by Persistent Cohomology in the Spatial Representation System

Persistent cohomology is a powerful technique for discovering topological structure in data. Strategies for its use in neuroscience are still undergoing development. We comprehensively and rigorously assess its performance in simulated neural recordings of the brain's spatial representation system. Grid, head direction, and conjunctive cell populations each span low-dimensional topological structures embedded in high-dimensional neural activity space. We evaluate the ability for persistent cohomology to discover these structures for different dataset dimensions, variations in spatial tuning, and forms of noise. We quantify its ability to decode simulated animal trajectories contained within these topological structures. We also identify regimes under which mixtures of populations form product topologies that can be detected. Our results reveal how dataset parameters affect the success of topological discovery and suggest principles for applying persistent cohomology, as well as persistent homology, to experimental neural recordings.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Compositionally Complex Alloys: Some Insights from Photoemission Spectroscopy

Photoemission spectroscopy (PES) is an underrepresented part of current and past studies of compositionally complex alloys (CCA) such as high-entropy alloys (HEA) and their derivatives. PES studies are very important for understanding the electronic structure of materials, and are therefore essential in some cases for a correct description of the intrinsic properties of CCAs. Here, we present several examples showing the importance of PES. First, we show how the difference between the split-band structure and the common-band structure of the valence band (VB), observed by PES, can explain a range of properties of CCAs and alloys in general. A simple description of the band crossing in CCAs composed from the early and late transition metals showing a split band is discussed. We also demonstrate how a high-accuracy PES study can determine the variation in the density of states at the Fermi level as a function of Cu content in Ti-Zr-Nb-Ni-Cu metallic glasses. Finally, the first results of an attempt to single out the contributions of particular constituents in Cantor-type alloys to their VBs are presented. The basic principles of PES, the techniques employed in studies presented, and some issues associated with PES measurements are also described.

36 MATERIALS SCIENCE↗
NASA NTRS1925

Standardization Tests of NACA No. 1 Wind Tunnel

The tests described in this report were made in the 5-foot atmospheric wind tunnel of the National Advisory Committee for Aeronautics, at Langley Field. The primary objective of collecting data on the characteristics of this tunnel for comparison with those of others throughout the world, in order that, in the future, the results of tests made in all the principle laboratories may be interpreted, compared, and coordinated on a basis of scientifically established relationships, a process hitherto impossible due to the lack of comparable data. The work includes tests of a disk, spheres, cylinders, and airfoils, explorations of the test section for static pressure and velocity distribution, and determination of the variations of air flow direction throughout the operating range of the tunnel. (author)

Reid, Elliott G↗
NASA NTRS1995

Preliminary large-eddy simulations of flow around a NACA 4412 airfoil using unstructured grids

Large-eddy simulation (LES) has matured to the point where application to complex flows is desirable. The extension to higher Reynolds numbers leads to an impractical number of grid points with existing structured-grid methods. Furthermore, most real world flows are rather difficult to represent geometrically with structured grids. Unstructured-grid methods offer a release from both of these constraints. However, just as it took many years for structured-grid methods to be well understood and reliable tools for LES, unstructured-grid methods must be carefully studied before we can expect them to attain their full potential. In the past two years, important building blocks have been put into place making possible a careful study of LES on unstructured grids. The first building block was an efficient mesh generator which allowed the placement of points according to smooth variation of physical length scales. This variation of length scales is in all three directions independently, which allows a large reduction in points when compared to structured-grid methods, which can only vary length scales in one direction at a time. The second building block was the development of a dynamic model appropriate for unstructured grids. The principle obstacle was the development of an unstructured-grid filtering operator. In the past year, some of the new filters developed by Jansen have been implemented into a highly parallelized finite element code based on the Galerkin/least-squares finite element method. We have chosen the NACA 4412 airfoil at maximum lift as the first simulation for a variety of reasons. First, it is a problem of significant interest since it would be the first LES of an aircraft component. Second, this flow has been the subject of three experimental studies. The third reason for considering this flow is the variety of flow features which provide an important test of the dynamic model. Only the dynamic model can be expected to perform satisfactorily in this variety of situations: from the laminar regions where it must not modify the flow at all to the turbulent boundary layers and wake where it must represent a wide variety of subgrid-scale structures. The flow configuration we have chosen is that of Wadcock (1987) at Reynolds number based on chord Re(sub c) = u(sub infinity)c/v = 1.64 x 10(exp 6), Mach number M = 0.2, and 12 deg angle of attack.

Jansen, Kenneth↗
DOE OSTI2023

Temperature Dependence of Band Gap Renormalization in High-T Sensor Materials via First-Principles and Experimental Corroboration

Understanding the temperature dependence of functional properties of high-T gas sensing materials is vital for their applications in combustion environments. The electron-phonon coupling that derives the electronic structure change with temperatures is a key property of interest as it affects other sensing responses. Herein, we assess the temperature dependence of band gap renormalization in metal oxides and perovskites by employing Allen-Heine-Cardona theory with first-principles simulations and corroborate with experimental observation. The calculated temperature-dependent band gap changes of these materials studied are in good agreement with in-house experimental data, proving that the theory can adequately predict renormalization on the band gap in the system of interest. The predicted and measured band gap variations are characterized using an analytical model, which can provide useful insights on the simulated zero-temperature band gaps. Based on the available data, a set of 53 metal oxides and perovskites were identified as potential high-T gas sensors. A machine learning model has been developed to predict the band-gap change by capturing the overall trend of the empirical parameters with respect to a reduced feature obtained by transforming the set of available physical features.

Park, Jongwoo↗
DOE OSTI2020

Assessing the roles of Cu- and Ag-deficient layers in chalcopyrite-based solar cells through first principles calculations

Chalcopyrites are a demonstrated material platform for realizing efficient thin-film photovoltaics, with the most well known Cu(In,Ga)Se 2 (CIGS)-based solar cells exceeding 23%. Several factors, including flexibility in tuning the absorber bandgap, enhanced surface treatments, and the electrically benign nature of common defects are responsible for the existing high performance and future promise in chalcopyrite-based photovoltaic devices. The introduction of Cu-poor phases (also known as ordered-vacancy compounds or OVCs) between the absorber and buffer layers in CIGS solar cells is known to enhance device performance; however, the overall properties and role of OVCs remain poorly understood. Using first principles calculations based on the density functional theory with screened hybrid functionals, here we explore the electronic structure and stability of OVCs and their band offsets with defect-free chalcopyrite layers in Cu- and Ag-based compounds (ABX 2 where A=Cu, Ag; B=In, Ga, Al; and X=S, Se). Using AB 3 X 5 and AB 5 X 8 stoichiometries as model OVC systems, we report on the variation of the bandgap with the A/B ratio and discuss the trends in other Cu- and Ag-based chalcopyrites beyond CuInSe 2 . We find that the valence and conduction bands are lower in energy in OVCs with respect to the parent ABX 2 chalcopyrite owing to a reduced p–d interaction between X and A atoms. We additionally perform device-level simulations to assess the implications of the results, finding that the valence band offsets of OVCs are favorable, while the conduction band offsets of chalcopyrites beyond CuInSe 2 -based absorbers may be detrimental in conventional solar cell device designs.

14 SOLAR ENERGY↗
DOE OSTI2024

Dimensionality-Dependent Electronic Properties of the Highly Conducting n-Type Polymer, Poly(benzodifurandione)

Poly(benzodifurandione) (n-PBDF) has garnered significant interest as it displays the highest reported n-type electrical conductivity among π-conjugated polymers. Earlier theoretical studies of n-PBDF could not rationalize this high conductivity. Here, we explore the geometric and electronic properties of two-dimensional (2D) and three-dimensional (3D) n-PBDF networks using first-principles calculations and tight-binding models. In 2D networks, a metallic electronic configuration occurs when considering a coplanar geometry with BDF moieties bounded to protons on the same side; however, backbone torsions disrupt the metallic behavior. In contrast, all 3D architectures consistently lead to a metallic nature, which is not impacted by variations in proton positions and stacking patterns. Tight-binding models allowed us to evaluate the respective strengths of intra- and interchain electronic couplings in n-PBDF. Altogether, our investigations provide a comprehensive picture into the electronic properties of n-PBDF and shed light on how they are affected by system dimensionality, proton positions, and stacking patterns.

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

Dark Matter Velocity Distributions for Direct Detection: Astrophysical Uncertainties Are Smaller Than They Appear

The sensitivity of direct detection experiments depends on the phase-space distribution of dark matter near the Sun, which can be modeled theoretically using cosmological hydrodynamical simulations of Milky Way–like galaxies. However, capturing the halo-to-halo variation in the local dark matter speeds—a necessary step for quantifying the astrophysical uncertainties that feed into experimental results—requires a sufficiently large sample of simulated galaxies, which has been a challenge. In this Letter, we quantify this variation with nearly 100 Milky Way–like galaxies from the tng50 simulation, the largest sample to date at this resolution. Moreover, we introduce a novel phase-space scaling procedure that endows every system with a reference frame that accurately reproduces the local standard-of-rest speed of our Galaxy, providing a principled way of extrapolating the simulation results to real-world data. The ensemble of predicted speed distributions is well characterized by the standard halo model, a Maxwell-Boltzmann distribution truncated at the escape speed, though the individual distributions can deviate from it, especially at high speeds. The dark matter–nucleon cross section limits placed by these speed distributions vary by ∼ 60% about the median. This places the 1⁢𝜎 astrophysical uncertainty at or below the level of the systematic uncertainty of current ton-scale detectors, even down to the energy threshold. The predicted uncertainty remains unchanged when subselecting on those TNG 50 galaxies with merger histories similar to the Milky Way. Tabulated speed distributions, as well as Maxwell-Boltzmann fits, are provided for use in computing direct detection bounds or projecting sensitivities.

Milky Way↗
NASA NTRS1984

Calculations of turbulent mass transport in a bluff-body diffusion-flame combustor

Experimental measurements of turbulent mass transit in a bluff-body diffusion-flame combustor (using CO2 instead of fuel) are analyzed to evaluate the accuracy of physical models used in flow computations. The data of Lightman and Magill (1981), Lightman et al. (1983), and Roquemore et al. (1983) are used to calculate apparent turbulent Schmidt numbers (TSN) for a series of flow conditions by a modified TEACH viscous-flow code. The modeling principles, calculation grid, and boundary conditions are discussed, and the results are presented in graphs comparing calculated and measured values. It is shown that models such as the two-equation (K - epsilon) model which use a single value of the TSN are inappropriate for conditions typical of gas-turbine combustors: local TSN variations due to turbulence behavior must be taken into account in improved models.

Sturgess, G. J.↗
DOE OSTI2021

Understanding copper diffusion in CuInSe 2 with first-principles based atomistic and continuum models

We investigate the diffusion of copper in CuInSe 2 using thermodynamic and kinetic models based on density functional theory calculations, attempting to reconcile large differences in reported experimental diffusivities. We find that observations of rapid chemical diffusion can be explained by large thermodynamic factors, which we calculate using a compositionally constrained model of intrinsic point defect formation. We further characterize how copper diffusion coefficients depend on material synthesis conditions and exhibit their variation across the CuInSe 2 secondary phase diagram. In doing so, we identify stable off-stoichiometries that are dominated by either vacancy- or interstitial-mediated diffusion mechanisms. These results are employed in the development of a continuum reaction–diffusion model, which we use to simulate experimental depth profiles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

An estimate of the momentum deposition in the lower thermosphere by the observed diurnal tide

This paper reports a calculation of the acceleration of the zonal mean flow induced by dissipating tides in the equatorial lower thermosphere. Estimates of the gravest symmetric gravitiational Hough mode (1,1) of the migrating diurnal tide are obtained from monthly composites of global winds observed by the Upper Atmosphere Research Satellite (UARS) High Resolution Doppler Imager (HRDI). Using the principles of classical tidal theory, the tidal momentum flux divergence is computed for a series of monthly mean (1,1) fields from January 1992 to May 1993. The contribution to the mean flow by the leading mode of the migrating tide ranges between -5 and -20 (easterly) m/s/day in the equatorial lower thermosphere. A semiannual variation is noted in the tidal amplitudes and the inferred tidal accelerations. These variations are consistent with observed trends in the zonal mean flow of the lower thermosphere.

Lieberman, Ruth S.↗