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Results for “Radial basis function”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Eigenfunction methods in magnetospheric radial-diffusion theory

Complete sets of orthonormal basis functions constructed according to a generalization of the quantum-mechanical WKB approximation can be used to generate a nearly-diagonal matrix representation of the radial-transport operator for ring-current ions in the presence of radial diffusion and charge exchange. The resulting eigenfunctions (constructed by weighting the basis functions in proportion to the respective components of the eigenvectors of the matrix representation) and eigenvalues provide a spatial and temporal description of the evolving phase-space density during and following a magnetospheric disturbance (e.g., a magnetic storm). A linear superposition of the basis functions can also be used to eliminate any discrepancy between the steady-state solution of the transport equation and the appropriate WKB approximation of this steady-state solution.

Schulz, Michael↗
NASA NTRS1978

Charge exchange lifetimes for ring current ions

In view of the importance of charge exchange decay as a loss mechanism for magnetospheric ions, the paper summarizes the latest and best measurements of the physical quantities involved in the calculation of the charge exchange lifetime of the mirroring ions. The normalized atomic hydrogen distribution is presented as a function of radial distance on the basis of the Chamberlain model for a range of exobase temperatures and for various combinations of satellite particles. Cross section measurements for various ions in the energy range 1 keV to 200 keV are summarized in the form of normalized charge exchange lifetimes. The equatorial lifetimes can be determined for any of these ions at a specific energy and L-value.

Smith, P. H.↗
DOE OSTI2019

Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to $α$-Ag 2 Se

First-principles molecular dynamics (FPMD) simulations are highly accurate, but due to their high calculation cost, the computational scale is often limited to hundreds of atoms and few picoseconds under specific temperature and pressure conditions. As such, we present here the guidelines for creating artificial neural network empirical interatomic potential (ANN potential) trained with such a limited FPMD data, which can perform long time scale MD simulations at least under the same conditions. The FPMD data for training are prepared on the basis of the convergence of radial distribution function [$g(r)$]. While training the ANN using total energy and atomic forces of the FPMD data, the error of pressure is also monitored and minimized. To create further robust potential, we add a small amount of FPMD data to reproduce the interaction between two atoms that are close to each other. ANN potentials for $α$-Ag 2 Se were created as an application example, and it has been confirmed that not only $g(r)$ and mean square displacements but also the specific heat requiring a long time scale simulation matched the FPMD and the experimental values. In addition, the MD simulation using the ANN potential achieved over 10 4 acceleration over the FPMD one. The guidelines proposed here mitigate the creation difficulty of the ANN potential, and a lot of FPMD data sleeping on the hard disk after the research may be put on the front stage again.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Distributed memory approaches for robotic neural controllers

The suitability is explored of two varieties of distributed memory neutral networks as trainable controllers for a simulated robotics task. The task requires that two cameras observe an arbitrary target point in space. Coordinates of the target on the camera image planes are passed to a neural controller which must learn to solve the inverse kinematics of a manipulator with one revolute and two prismatic joints. Two new network designs are evaluated. The first, radial basis sparse distributed memory (RBSDM), approximates functional mappings as sums of multivariate gaussians centered around previously learned patterns. The second network types involved variations of Adaptive Vector Quantizers or Self Organizing Maps. In these networks, random N dimensional points are given local connectivities. They are then exposed to training patterns and readjust their locations based on a nearest neighbor rule. Both approaches are tested based on their ability to interpolate manipulator joint coordinates for simulated arm movement while simultaneously performing stereo fusion of the camera data. Comparisons are made with classical k-nearest neighbor pattern recognition techniques.

Jorgensen, Charles C.↗
DOE OSTI2018

Sparse modeling of space- and time-varying diffraction response of a progressively loaded aluminum alloy

Highlights: • Plasticity induces crystal orientation and lattice spacing heterogeneity. • High energy x-ray diffraction spot broadening typically accompanies plasticity. • Method quantifies spot broadening in difficult, mixed microstructure data. • Algorithm finds sparse combination of entries from dictionary of peak functions. • Approach showed asymmetric plastic response in preprocessed AA7075 T651 sample. - Abstract: High energy X-ray diffraction data collected in situ during loading experiments permits probing of the crystal structure of a plastically deforming material sample. An elastoplastic deformation is associated with heterogeneity in both crystal orientation and lattice spacing—each manifesting as azimuthal broadening and radial broadening of diffraction peaks respectively. Quantifying the spreading effect is challenging, especially in cases where the sample has a granularity between that of a single crystal and fine grain or powder material. The approach developed in this paper begins by modeling the intensity signal in the vicinity of a Debye-Scherrer ring as a sparse, nonnegative superposition of Gaussian basis functions drawn from an over-complete dictionary. Processing automatically selects from the dictionary basis functions whose widths and amplitudes are representative of the data. The chosen basis functions are used to compute scalar measures of radial and azimuthal broadening for the set of diffraction peaks composing a Debye-Scherrer ring. To demonstrate the utility of the approach, we show that analysis of diffraction peak shape information from an aluminum alloy 7075 T651 (AA7075 T651) sample provides insight into the origin of material state that would have otherwise have been difficult if not impossible to extract using conventional methods. Furthermore, the extracted information revealed a deformation response linked to the processing history of the sample.

36 MATERIALS SCIENCE↗
NASA NTRS2016

Application of Interval Predictor Models to Space Radiation Shielding

This paper develops techniques for predicting the uncertainty range of an output variable given input-output data. These models are called Interval Predictor Models (IPM) because they yield an interval valued function of the input. This paper develops IPMs having a radial basis structure. This structure enables the formal description of (i) the uncertainty in the models parameters, (ii) the predicted output interval, and (iii) the probability that a future observation would fall in such an interval. In contrast to other metamodeling techniques, this probabilistic certi cate of correctness does not require making any assumptions on the structure of the mechanism from which data are drawn. Optimization-based strategies for calculating IPMs having minimal spread while containing all the data are developed. Constraints for bounding the minimum interval spread over the continuum of inputs, regulating the IPMs variation/oscillation, and centering its spread about a target point, are used to prevent data over tting. Furthermore, we develop an approach for using expert opinion during extrapolation. This metamodeling technique is illustrated using a radiation shielding application for space exploration. In this application, we use IPMs to describe the error incurred in predicting the ux of particles resulting from the interaction between a high-energy incident beam and a target.

Crespo, Luis G.↗
DOE OSTI2020

PyFLOSIC: Python-based Fermi–Löwdin orbital self-interaction correction

We present pyflosic, an open-source, general-purpose python implementation of the Fermi–Löwdin orbital self-interaction correction (FLO-SIC), which is based on the python simulation of chemistry framework (pyscf) electronic structure and quantum chemistry code. Thanks to pyscf, pyflosic can be used with any kind of Gaussian-type basis set, various kinds of radial and angular quadrature grids, and all exchange-correlation functionals within the local density approximation, generalized-gradient approximation (GGA), and meta-GGA provided in the libxc and xcfun libraries. A central aspect of FLO-SIC is the Fermi-orbital descriptors, which are used to estimate the self-interaction correction. Importantly, they can be initialized automatically within pyflosic; they can also be optimized within pyflosic with an interface to the atomic simulation environment, a python library that provides a variety of powerful gradient-based algorithms for geometry optimization. Although pyflosic has already facilitated applications of FLO-SIC to chemical studies, it offers an excellent starting point for further developments in FLO-SIC approaches, thanks to its use of a high-level programming language and pronounced modularity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Scattering phase shifts and mixing angles for an arbitrary number of coupled channels on the lattice

We present a lattice method for determining scattering phase shifts and mixing angles for the case of an arbitrary number of coupled channels. Previous nuclear lattice effective field theory simulations were restricted to mixing of up to two partial waves for scattering of two spin-1/2 particles, which is insufficient for analyzing nucleon-nucleus or nucleus-nucleus scattering processes. In the proposed method, the phase shifts and mixing angles are extracted from the radial wave functions obtained by projecting the three-dimensional lattice Hamiltonian onto the partial wave basis. In this work, we use a spherical wall potential as a boundary condition along with a channel-mixing auxiliary potential to construct the full-rank S matrix. Our method can be applied to particles with any spin, but we focus here on scattering of two spin-1 bosons involving up to four coupled channels. For a considered test potential, the phase shifts and mixing angles extracted on the lattice are shown to agree with the ones calculated by solving the Schrödinger equation in the continuum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Extending the SAGA Survey (xSAGA). I. Satellite Radial Profiles as a Function of Host-galaxy Properties

We present "Extending the Satellites Around Galactic Analogs Survey" (xSAGA), a method for identifying low-z galaxies on the basis of optical imaging and results on the spatial distributions of xSAGA satellites around host galaxies. Using spectroscopic redshift catalogs from the SAGA Survey as a training data set, we have optimized a convolutional neural network (CNN) to identify z < 0.03 galaxies from more-distant objects using image cutouts from the DESI Legacy Imaging Surveys. From the sample of >100,000 CNN-selected low-z galaxies, we identify >20,000 probable satellites located between 36–300 projected kpc from NASA-Sloan Atlas central galaxies in the stellar-mass range $9.5\lt \mathrm{log}({M}_{\star }/{M}_{\odot })\lt 11$. We characterize the incompleteness and contamination for CNN-selected samples and apply corrections in order to estimate the true number of satellites as a function of projected radial distance from their hosts. Satellite richness depends strongly on host stellar mass, such that more-massive host galaxies have more satellites, and on host morphology, such that elliptical hosts have more satellites than disky hosts with comparable stellar masses. We also find a strong inverse correlation between satellite richness and the magnitude gap between a host and its brightest satellite. The normalized satellite radial distribution between 36–300 kpc does not depend on host stellar mass, morphology, or magnitude gap. The satellite abundances and radial distributions we measure are in reasonable agreement with predictions from hydrodynamic simulations. Our results deliver unprecedented statistical power for studying satellite galaxy populations and highlight the promise of using machine-learning for extending galaxy samples of wide-area surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1987

A full simulation of a vortex ring

A three-dimensional spectral method is developed for the solution to the incompressible Navier-Stokes equations in an unbounded domain. The spectral method relies on divergence-free basis functions as proposed by Leonard (1981). The basis functions are formed using vector spherical harmonics and Jacobi polynomials together with a mapping in the radial direction. An axisymmetric code was written and is verified using an exact solution of the Stokes equations. Preliminary results for the evolution of a vortex ring according to the Navier-Stokes equations are presented.

Stanaway, S. K.↗
NASA NTRS1990

Global and radial variations in the efficiency of massive star formation among galaxies

In order to determine the regions within galaxies which give rise to the most efficient star formation and to test the hypothesis that galaxies with high infrared luminosities per unit molecular mass are efficiently producing high mass stars, researchers have undertaken an H alpha imaging survey in galaxies whose CO distributions have been measured as part of the Five College Radio Astronomy Observatory (FCRAO) Extragalactic CO Survey. From these images researchers have derived global H alpha fluxes and distributions for comparison with far infrared radiation (FIR) fluxes and CO fluxes and distributions. Here, researchers present results on the global massive star formation efficiency (SFE = L sub H sub alpha/M(H2)) as a function of morphological type and environment, and on the radial distribution of the SFE within both peculiar and isolated galaxies. On the basis of comparison of the global L sub H sub alpha/M(H2) and L sub FIR/M(H2) for 111 galaxies, researchers conclude that environment rather than morphological type has the strongest effect on the global efficiency of massive star formation. Based on their study of a small sample, they find that the largest radial gradients are observed in the interacting/peculiar galaxies, indicating that environment affects the star formation efficiency within galaxies as well.

Allen, Lori E.↗
NASA NTRS1984

Evolution of the earth's distant magnetotail - ISEE 3 electron plasma results

ISEE 3 data form the basis for a study of the evolution of the electron plasma in the magnetotail lobe and plasma sheet regions as a function of radial distance from the earth. The data were plasma electron and magnetometer measurements taken when the ISEE 3 was tailward of the earth during three different orbits. About 91,000 electron spectra were obtained in terms of the magnetosheath, lobe, plasma sheet and radial downstream distances. The lobe density peaked at 60 earth radii, while the sheet density tapered very slowly downstream. At large downstream distances (about 180 radii), the plasma bulk flow velocity increased significantly, surpassing the solar wind velocity. The bimodal electron flow angle near the earth became a single tailward flow at 180 radii.

Zwickl, R. D.↗
NASA NTRS1988

A numerical study of viscous vortex rings using a spectral method

Viscous, axisymmetric vortex rings are investigated numerically by solving the incompressible Navier-Stokes equations using a spectral method designed for this type of flow. The results presented are axisymmetric, but the method is developed to be naturally extended to three dimensions. The spectral method relies on divergence-free basis functions. The basis functions are formed in spherical coordinates using Vector Spherical Harmonics in the angular directions, and Jacobi polynomials together with a mapping in the radial direction. Simulations are performed of a single ring over a wide range of Reynolds numbers (Re approximately equal gamma/nu), 0.001 less than or equal to 1000, and of two interacting rings. At large times, regardless of the early history of the vortex ring, it is observed that the flow approaches a Stokes solution that depends only on the total hydrodynamic impulse, which is conserved for all time. At small times, from an infinitely thin ring, the propagation speeds of vortex rings of varying Re are computed and comparisons are made with the asymptotic theory by Saffman. The results are in agreement with the theory; furthermore, the error is found to be smaller than Saffman's own estimate by a factor square root ((nu x t)/R squared) (at least for Re=0). The error also decreases with increasing Re at fixed core-to-ring radius ratio, and appears to be independent of Re as Re approaches infinity). Following a single ring, with Re=500, the vorticity contours indicate shedding of vorticity into the wake and a settling of an initially circular core to a more elliptical shape, similar to Norbury's steady inviscid vortices. Finally, we consider the case of leapfrogging vortex rings with Re=1000. The results show severe straining of the inner vortex core in the first pass and merging of the two cores during the second pass.

Stanaway, S. K.↗
NASA NTRS1971

Electron dynamics and energy conversion in O-type linear-beam devices.

A general nonlinear interaction theory is used to investigate the effects of transverse fields (i.e., radial circuit fields and radial space-charge fields) in traveling-wave amplifiers for a variety of beam-focusing conditions. Magnetic focusing fields which are periodic or tapered (increased) with distance along the device are considered in addition to uniform magnetic fields. Results are presented for Brillouin flow and near-Brillouin flow, and the minimum magnetic field strength required to effectively constrain the electron beam is determined as a function of the operating parameters for the various focusing systems. Confined flow is also examined for the uniform-field case in order to have a basis of comparison from which the effects of radial motion of the beam electrons can be determined. The results indicate the importance of transverse effects and further yield information on the stability of strongly modulated cylindrical electron beams.-

Detweiler, H. K.↗
DOE OSTI2021

Theory and application of the vector pair correlation function for real-space crystallographic analysis of order/disorder correlations from STEM images

Deviations of local structure and chemistry from the average crystalline unit cell are increasingly recognized to have a significant influence on the properties of many technologically important materials. Here, we present the vector pair correlation function (vPCF) as a new real-space crystallographic analysis method, which can be applied to atomic-resolution scanning transmission electron microscopy (STEM) images to quantify and analyze structural order/disorder correlations. Our STEM-based vPCFs have several advantages over radial PCFs and/or 3D pair distribution functions from x-ray total scattering: vPCFs explicitly retain crystallographic orientation information, are spatially resolved, can be applied directly on a sublattice basis, and are suitable for any material that can be imaged with STEM. To show the utility of our approach, we measure partial vPCFs in Ba 5 SmSn 3 Nb 7 O 30 (BSSN), a tetragonal tungsten bronze (TTB) structured complex oxide. Many TTBs are known to be classical or relaxor ferroelectrics, and these properties have been correlated with the presence of superlattice ordering. BSSN, specifically, exhibits relaxor behavior and an incommensurate structural modulation. From the vPCF data, we observe that, of the cation sites, only the Ba (A2) sublattice is structurally modulated. We then infer the local modulation vector and reveal a marked anisotropy in its correlation length. Finally, short-range correlated polar displacements on the B2 cation sites are observed. This work introduces the vPCF as a powerful real-space crystallography technique, which enables direct, robust quantification of short-to-long range order on a sublattice-specific basis and is applicable to a wide range of complex material types.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗