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At least 919 records · Page 51

All sources NASA NTRS DOE OSTI

DOE OSTI2017

Depolarized Scattering from Block Copolymer Grains Using Circularly Polarized Light

The grain structure of ordered block copolymer materials affects their viscoelastic, adhesive, optical, and electrical properties. Depolarized light scattering has proven to be an important method for characterizing this grain structure. In this paper, we use both theory and experiments to demonstrate the relationship between grain structure and depolarized light scattering from ordered block copolymer samples performed with crossed circular polarizers. We model the sample assuming it comprises randomly oriented ellipsoidal grains with optic axes coincident with the ellipsoid axes. We show that the scattering pattern obtained using circularly polarized (CP) light is azimuthally symmetric, in contrast to that obtained using linearly polarized (LP) light which exhibits 4-fold angular modulation. The integrated scattered power in the CP case is twice as large as that in the LP case. Finally, by simultaneously fitting CP and LP light scattering data, we obtain robust measures of parameters that characterize grain structures. In addition, CP light scattering can, in principle, be used to characterize nonrandom grain orientation distributions.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional

Here, Feynman path-integral deep potential molecular dynamics (PI-DPMD) calculations have been employed to study both light (H 2 O) and heavy water (D 2 O) within the isothermalisobaric ensemble. In particular, the deep neural network is trained based on ab initio data obtained from the strongly constrained and appropriately normed (SCAN) exchange-correlation functional. Because of the lighter mass of hydrogen than deuteron, the properties of light water are more influenced by nuclear quantum effect than those of heavy water. Clear isotope effects are observed and analyzed in terms of hydrogen-bond structure and electronic properties of water that are closely associated with experimental observables. The molecular structures of both liquid H 2 O and D 2 O agree well with the data extracted from scattering experiments. The delicate isotope effects on radial distribution functions and angular distribution functions are well reproduced as well. Our approach demonstrates that deep neural network combined with SCAN functional based ab initio molecular dynamics provides an accurate theoretical tool for modeling water and its isotope effects.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Additive Manufacturing of Sensors and Components for Non-Destructive Evaluation Applications

Additively manufactured machine components were designed for use in non-destructive evaluations. Additive manufacturing (3D printing) enables rapid production of simple or complex objects at a low cost for use in many fields of research and industry. 3D printed components were used to optimize an eddy current array probe to inspect various complex shaped objects, such as gears. Preliminary eddy current inspections were conducted to test the functionality and compatibility of the 3D printed components to the array probe and existing system. These were done by wrapping replica 3D printed gears with aluminum foil. The results were as expected, rough, uneven surface of the aluminum foil. Calibration scans were also executed to enable proper measurement of defect size in metal structures. For use in waveguide-based distributive sensing technologies, additively manufactured custom waveguides were designed for use in liquid environments to collect pressure and flow data. Waveguides were designed with membranes, thin sections of the walls, which would be pressed inward due to fluid pressure. Waveguide models continue to be developed and revised for most functional utility in liquid environments.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Oblique propagation and temperature effects on the resonant right-hand ion beam instability

The resonant right-hand instability (RHI) is often the dominant mode driven by reflected ions upstream of Earth’s quasi-parallel bow shock. In the tradition of Peter Gary, this paper further explores the right-hand instability using numerical solutions of the plasma dispersion relation and non-linear kinetic simulations, with parameters inspired by observations from NASA’s Magnetospheric Multiscale (MMS) mission. Agreement is found between the ion distributions in the particle-in-cell simulations and Magnetospheric Multiscale spacecraft data, which show the gyrophase bunching characteristic of the instability. The non-linear structures created by right-hand instability tend to be stronger when the plasma beta is lower. These structures have sizes of around 100 to 200 ion inertial lengths perpendicular to the magnetic field, presenting planet-sized disturbances to the magnetosphere. 2d and 3D hybrid particle-in-cell simulations show that modes with a range of propagation angles oblique to the magnetic field are excited, providing a ground to understand previous statistical studies of observed foreshock waves.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1979

Acoustic-gravity waves in the thermosphere of Venus

The paper studies the properties of acoustic-gravity waves in the upper atmosphere of Venus by means of a two fluid model which includes the effects of wave-induced diffusion in a diffusively separated atmosphere. It is maintained that in conjunction with neutral mass spectrometer data from the Pioneer Venus orbiter, the theory should provide information on the distribution of wave sources in the Venus upper atmosphere. In addition observed wave structure in species density measurements should generally have periods less than or equal to 30-35 min, small N2, CO, and O amplitudes, and highly variable phase shifts relative to CO2. Finally, it is noted that large-density oscillations in stratospheric cloud layer constituents are also possible and may be detectable by the Pioneer Venus large probe neutral mass spectrometer.

Del Genio, A. D.↗

NASA NTRS1982

Radar and infrared remote sensing of geothermal features at Pilgrim Springs, Alaska

High-altitude radar and thermal imagery collected by the NASA research aircraft WB57F were used to examine the structural setting and distribution of radiant temperatures of geothermal anomalies in the Pilgrim Springs, Alaska area. Like-polarized radar imagery with perpendicular look directions provides the best structural data for lineament analysis, although more than half the mapped lineaments are easily detectable on conventional aerial photography. Radiometer data and imagery from a thermal scanner were used to evaluate radiant surface temperatures, which ranged from 3 to 17 C. The evening imagery, which utilized density-slicing techniques, detected thermal anomalies associated with geothermal heat sources. The study indicates that high-altitude predawn thermal imagery may be able to locate relatively large areas of hot ground in site-specific studies in the vegetated Alaskan terrain. This imagery will probably not detect gentle lateral gradients.

Dean, K. G.↗

NASA NTRS1983

IUGG quadrennial report overviews - Planetary Science 1979-1982

The Pioneer Venus mission and the Voyager mission to Jupiter and Saturn are reviewed. Also discussed briefly are telescopic observations of the Uranian satellites, Triton, Pluto, and the asteroids, as well as studies with earth-bound radar. Pioneer Venus provided data on the particles and field environment, the surface, and the upper atmosphere. Voyager at Jupiter produced information on the Jovian atmosphere, Io, and the Galilean satellites, while Voyager at Saturn provided data on the planet's upper atmospheric thermal structure and composition, and its satellites. In addition, Voyager radio occultation data on Saturn's rings demonstrated that ring particles have an approximate power law size distribution from 1 cm to a maximum of 1-5 m.

Squyres, S. W.↗

NASA NTRS1983

Precambrian organic geochemistry - Preservation of the record

A review of earlier studies is presented, and new results in Precambrian organic geochemistry are discussed. It is pointed out that two lines of evidence can be developed. One is based on structural organic chemistry, while the other is based on isotopic analyses. In the present investigation, the results of both structural and isotopic investigations of Precambrian organic matter are discussed. Processes and products related to organic geochemistry are examined, taking into account the carbon cycle, an approximate view of the principal pathways of carbon cycling associated with organic matter in the present global ecosystem, processes affecting sedimentary organic matter, and distribution and types of organic matter. Attention is given to chemical fossils in Precambrian sediments, kerogen analyses, the determination of the structural characteristics of kerogen, and data concerning the preservation of the Precambrian organic geochemical record.

Hayes, J. M.↗

NASA NTRS1986

Ozone, jet streaks, and severe weather

Data obtained with the total ozone mapping spectrometer (TOMS) onboard the Nimbus-7 satellite are presented. An attempt is made to relate and synthesize TOMS data with conventional radiosonde analyses and with midtropospheric moisture data available from the VISSR onboard the GOES. Case studies are described which relate the potential vorticity structure of the upper troposphere to the total ozone distribution as measured by TOMS. Cyclogenesis, frontogenesis, and the formation of severe weather outbreaks are then related to jet streaks and their characteristic ozone signature. It is shown that the primary maxima of ozone and potential vorticity are associated with cold advection and subsidence in the main upper-air trough as suggested earlier. The secondary maxima of the three quantities diagnosed in the present work appear in the left front quadrant of a jet streak, revealing the importance of transverse, secondary motions induced by a jet streak above the level of maximum winds in further modifying the potential vorticity and ozone structures.

Sechrist, F. S.↗

NASA NTRS1988

CFD validation experiments for internal flows

Computational Fluid Dynamics (CFD) validation experiments at NASA Lewis Research Center are described. The material presented summarizes the research in three areas: Inlets, Ducts and Nozzles; Turbomachinery; and Chemically Reacting Flows. The specific validation activities are concerned with shock-boundary layer interactions, vortex generator effects, large low speed centrifugal compressor measurements, transonic fan shock structure, rotor/stator kinetic energy distributions, stator wake shedding characteristics, boundary layer transition, multiphase flow and reacting shear layers. These experiments are intended to provide CFD validation data for the internal flow fields within aerospace propulsion system components.

Povinelli, Louis A.↗

NASA NTRS1988

CFD validation experiments for internal flows

Computational Fluid Dynamics (CFD) validation experiments at NASA Lewis are described. The material presented summarized the research in 3 areas: Inlets, ducts and nozzles; Turbomachinery; and Chemically reacting flows. The specific validation activities are concerned with shock boundary layer interactions, vortex generator effects, large low speed centrifugal compressor measurements, transonic fan shock structure, rotor/stator kinetic energy distributions, stator wake shedding characteristics, boundary layer transition, multiphase flow and reacting shear layers. These experiments are intended to provide CFD validation data for the internal flow fields within aerospace propulsion system components.

Povinelli, Louis A.↗

NASA NTRS1993

Molecular processes in comets

Classical trajectory calculations of the cross sections for vibrational and rotational energy exchange in direct and reactive collisions of hydrogen atoms and hydrogen molecules have been carried out. To test the sensitivity, three potential energy surfaces have been used. For the exchange transitions which occur at small internuclear distances, the rate coefficients for the three surfaces agree quite well. For the direct transitions, there are significant differences for the pure rotational transitions from j=0 to 2 and from j=1 to j=3 in which there is no change in vibration. For higher j the differences tend to disappear, suggesting that the rotational angular momentum can couple to the orbital angular momentum to overcome the centrifugal barrier. Complete numerically exact quantum mechanical calculations for the process in which vJ changes have been performed. Dr. M. A'Hearn has provided data on the fluorescent population of the NH rotational and fine-structure levels from which we should be able to predict accurate photodissociation lifetimes. The distribution rate of C2 is being investigated. A review of H3(+) in terrestrial and extraterrestrial environments was prepared for a volume of Advances in Atomic, Molecular and Optical Physics.

Dalgarno, A.↗

NASA NTRS1994

Design and performance/measurement simulation studies for a ER-2 sunphotometer

Work and results, including developed software, obtained under this grant (NAG 2-620) have been reported in various progress reports, an M.S. Thesis, and software programs. The purpose of this final report is simply to provide a documented listing of what has already been reported. This includes the following: (1) Conceptual Design and Simulation of a Spectral Sunphotometer for the ER-2 Aircraft; (2) Continued Simulation and Design Studies for an ER-2 Sunphotometer; and (3) Simulation and Performance Studies of a Spectra Sunphotometer for the ER-2 Aircraft. Also, software and computational results for modeling airmass and diffuse light effects due to aerosols were provided in support of NASA ARC research on the effects of aerosols resulting from the Pinatubo volcanic eruptions. The references for these articles are as follows: (1) Post Pinatubo Optical Depth Spectra vs. Latitude and Vortex Structure; and (2) Pinatubo and Pre-Pinatubo Optical-Depth Spectra -- Mauna Loa Measurements, Comparisons, Inferred Particle Size Distributions, Radiative Effects, and Relationships to Lidar Data.

Reagan, J. A.↗

NASA NTRS2001

Multi-Epoch XMM Observations of NGC4258

The goal of this project is to better understand whether the well known, warped accretion disk around the supermassive black hole in NGC4258 is responsible for the observed X-ray absorbing column of gas. The active galactic nuclei (AGN) paradigm suggests that doughnut-like tori obscure black holes, not warped disks. Using radio interferometry, we have mapped the disk and its orientation. Through time monitoring radio observations we are following the rotation and variability in the disk structure. The disk crosses the line of sight to the black hole, if it is clumpy, then we will observe variations in the X-ray spectrum of NGC4258 on month to year time scales. We have reduced 14 epochs of very long base interferometry (VLBI) observations that we use to characterize the structure of the maser-laden accretion disk and its evolution. Five epochs of data remain to be reduced in the next year. We have received distributions of data for two of our four intended epochs of X-ray Multimirror Mission (XMM) observation. Because the first two epochs are relatively close in time, and because community understanding of how to calibrate XMM data has until recently been relatively immature, we are waiting until we receive the third epoch of data before we reduce the several datasets. Delivery of the third epoch should take place late this year. The last epoch of XMM observation will take place in mid-2002. In the next year, we will begin to combine constraints on disk clumpiness with estimates of X-ray variability observed by XMM.

Greenhill, Lincoln J.↗

NASA NTRS2023

Oblique Propagation and Temperature Effects on the Resonant Right-Hand Ion Beam Instability

Ari Le↗

DOE OSTI2023

Ensemble models for circuit topology estimation, fault detection and classification in distribution systems

This paper presents a methodology for simultaneous fault detection, classification, and topology estimation for adaptive protection of distribution systems. The methodology estimates the probability of the occurrence of each one of these events by using a hybrid structure that combines three sub-systems, a convolutional neural network for topology estimation, a fault detection based on predictive residual analysis, and a standard support vector machine with probabilistic output for fault classification. The input to all these sub-systems is the local voltage and current measurements. A convolutional neural network uses these local measurements in the form of sequential data to extract features and estimate the topology conditions. The fault detector is constructed with a Bayesian stage (a multitask Gaussian process) that computes a predictive distribution (assumed to be Gaussian) of the residuals using the input. Since the distribution is known, these residuals can be transformed into a Standard distribution, whose values are then introduced into a one-class support vector machine. The structure allows using a one-class support vector machine without parameter cross-validation, so the fault detector is fully unsupervised. Finally, a support vector machine uses the input to perform the classification of the fault types. All three sub-systems can work in a parallel setup for both performance and computation efficiency. In conclusion, we test all three sub-systems included in the structure on a modified IEEE123 bus system, and we compare and evaluate the results with standard approaches.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Bridging the Gap between Cosmological Simulations with Graph Neural Networks and Domain Adaptation

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics implementation and numerical approximations across different simulation suites, models trained on data from one cosmological simulation show a drop in performance when tested on another. Similarly, models trained on any of the simulations would also likely experience a drop in performance when applied to observational data. Training on data from two different suites of the CAMELS hydrodynamic cosmological simulations, we examine the generalization capabilities of Domain Adaptive Graph Neural Networks (DA-GNNs). By utilizing GNNs, we capitalize on their capacity to capture structured scale-free cosmological information from galaxy distributions. Moreover, by including unsupervised domain adaptation via Maximum Mean Discrepancy (MMD), we enable our models to extract domain-invariant features. We demonstrate that DA-GNN achieves higher accuracy and robustness on cross dataset tasks (up to 28% better relative error and up to almost an order of magnitude better χ 2 ). Using data visualizations, we show the effects of domain adaptation on proper latent space data alignment. This shows that DA-GNNs are a promising method for extracting domain-independent cosmological information, a vital step toward robust deep learning for real cosmic survey data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Potentially adaptive SARS-CoV-2 mutations discovered with novel spatiotemporal and explainable AI models

Abstract Background A mechanistic understanding of the spread of SARS-CoV-2 and diligent tracking of ongoing mutagenesis are of key importance to plan robust strategies for confining its transmission. Large numbers of available sequences and their dates of transmission provide an unprecedented opportunity to analyze evolutionary adaptation in novel ways. Addition of high-resolution structural information can reveal the functional basis of these processes at the molecular level. Integrated systems biology-directed analyses of these data layers afford valuable insights to build a global understanding of the COVID-19 pandemic. Results Here we identify globally distributed haplotypes from 15,789 SARS-CoV-2 genomes and model their success based on their duration, dispersal, and frequency in the host population. Our models identify mutations that are likely compensatory adaptive changes that allowed for rapid expansion of the virus. Functional predictions from structural analyses indicate that, contrary to previous reports, the Asp 614 Gly mutation in the spike glycoprotein (S) likely reduced transmission and the subsequent Pro 323 Leu mutation in the RNA-dependent RNA polymerase led to the precipitous spread of the virus. Our model also suggests that two mutations in the nsp13 helicase allowed for the adaptation of the virus to the Pacific Northwest of the USA. Finally, our explainable artificial intelligence algorithm identified a mutational hotspot in the sequence of S that also displays a signature of positive selection and may have implications for tissue or cell-specific expression of the virus. Conclusions These results provide valuable insights for the development of drugs and surveillance strategies to combat the current and future pandemics.

59 BASIC BIOLOGICAL SCIENCES↗