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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting

We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which reduces the scaling of the calculations to only linear with the number of k-points. Employing this methodology, we compute correlated ground-state coupled cluster energies within density matrix embedding and local natural orbital correlation frameworks for both weakly and strongly correlated solids, using up to 1000 k-points. By extrapolating the local correlation domains and k-point sampling we further obtain estimates of the full coupled cluster with singles, doubles, and perturbative triples ground-state energies in the thermodynamic limit.

Chemical Physics (physics.chem-ph)↗
NASA NTRS1979

An analytical technique for predicting the characteristics of a flexible wing equipped with an active flutter-suppression system and comparison with wind-tunnel data

An analytical technique for predicting the performance of an active flutter-suppression system is presented. This technique is based on the use of an interpolating function to approximate the unsteady aerodynamics. The resulting equations are formulated in terms of linear, ordinary differential equations with constant coefficients. This technique is then applied to an aeroelastic model wing equipped with an active flutter-suppression system. Comparisons between wind-tunnel data and analysis are presented for the wing both with and without active flutter suppression. Results indicate that the wing flutter characteristics without flutter suppression can be predicted very well but that a more adequate model of wind-tunnel turbulence is required when the active flutter-suppression system is used.

Abel, I.↗
NASA NTRS1985

Shape Preserving Spline Interpolation

A rational spline solution to the problem of shape preserving interpolation is discussed. The rational spline is represented in terms of first derivative values at the knots and provides an alternative to the spline-under-tension. The idea of making the shape control parameters dependent on the first derivative unknowns is then explored. The monotonic or convex shape of the interpolation data can then be preserved automatically through the solution of the resulting non-linear consistency equations of the spline.

Gregory, J. A.↗
NASA NTRS1995

High Accuracy In-Flight Wavelength Calibration of Imaging Spectrometry Data

Accurate wavelength calibration of imaging spectrometer data is essential if proper atmospheric transmission corrections are to be made to obtain apparent surface reflectance. Accuracies of 0.1 nm are necessary for a 10 nm-sampling instrument in order to match the slopes of the deep atmospheric water vapor features that dominate the 0.7-2.3 micrometer regions. The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) is calibrated in the laboratory to determine the wavelength position and full-width-half-maximum (FWHM) response for each of the 224 channels. The accuracies are limited by the quality of the monochromator used as a source. The accuracies vary from plus or minus to plus or minus 1.5 nm depending on the wavelength region, in general decreasing with increasing wavelength. Green et al. make corrections to the wavelength calibrations by using the known positions of 14 atmospheric absorption features throughout the 0.4-2.5 micrometer wavelength region. These features, having varying width and intensity, were matched to the MODTRAN model with a non-linear least squares fitting algorithm. A complete calibration was developed for all 224 channels by interpolation. Instrument calibration cannot be assumed to be stable to 0.1 nm over a flight season given the rigors of thermal cycling and launch and landing loads. The upcoming sensor HYDICE will require a means for in-flight spectral calibration of each scene because the calibration is both temperature and pressure sensitive. In addition, any sensor using a two-dimensional array has the potential for systematic wavelength shifts as a function of cross-track position, commonly called 'smile'. Therefore, a rapid means for calibrating complete images will be required. The following describes a method for determining instrument wavelength calibration using atmospheric absorption features that is efficient enough to be used for entire images on workstations. This study shows the effect of the surface reflectance on the calibration accuracy and the calibration history for the AVIRIS B spectrometer over the 1992 flight season.

Goetz, Alexander F. H.↗
NASA NTRS2019

Updated MISR Over-Water Research Aerosol Retrieval Algorithm - Part 2: A Multi-Angle Aerosol Retrieval Algorithm for Shallow, Turbid, Oligotrophic, and Eutrophic Waters

Coastal waters serve as transport pathways to the ocean for all agricultural and other runoff from terrestrial sources, and many are the sites for upwelling of nutrient rich, deep water; they are also some of the most biologically productive on Earth. Estimating the impact coastal waters have on the global carbon budget requires relating satellite-based remote-sensing retrievals of biological productivity (e.g., chlorophyll alpha concentration) to in situ measurements taken in near-surface waters. The Multi-angle Imaging SpectroRadiometer (MISR) can uniquely constrain the "atmospheric correction" needed to derive ocean color from remote-sensing imagers. Here, we retrieve aerosol amount and type from MISR over all types of water. The primary limitation is an upper bound on aerosol optical depth (AOD), as the algorithm must be able to distinguish the surface. This updated MISR research aerosol retrieval algorithm (RA) also assumes that light reflection by the underlying ocean surface is Lambertian. The RA computes the ocean surface reflectance (R (sub rs)) analytically for a given AOD, aerosol optical model, and wind speed. We provide retrieval examples over shallow, turbid, and eutrophic waters and introduce a productivity and turbidity index (PTI), calculated from retrieved spectral R (sub rs), that distinguished water types (similar to the the normalized difference vegetation index, NDVI, over land). We also validate the new algorithm by comparing spectral AOD and Angstrom exponent (ANG) results with 2419 collocated AErosol RObotic NETwork (AERONET) observations. For AERONET 558 nanometer-interpolated AOD less than 1.0, the root-mean square error (RMSE) is 0.04 and linear correlation coefficient is 0.95. For the 502 cloud-free MISR and AERONET collocations with an AERONET AOD greater than 0.20, the ANG RMSE is 0.25 and r is 0.89. Although MISR RA AOD retrieval quality does not appear to be substantially impacted by the presence of turbid water, the MISR-RA-retrieved Angstrom exponent seems to suffer from increased uncertainty under such conditions. MISR supplements current ocean color sources in regions where sunglint precludes retrievals from single-view-angle instruments. MISR atmospheric correction should also be more robust than that derived from single-view instruments such as the Moderate Resolution Imaging Spectroradiometer (MODIS). This is especially true in regions of shallow, turbid, and eutrophic waters, locations where biological productivity can be high, and single-view-angle retrieval algorithms struggle to separate atmospheric from oceanic features.

Satellite Remote Sensing↗
NASA NTRS1994

Response of a two-dimensional dual-Doppler radar wind synthesis

The wind field resulting from a two-dimensional dual-Doppler synthesis algorithms is spectrally modified from the true wind field. The effects of spatial filtering on wind fields from the processes of interpolation, the averaging of pulses, and the effect of the finite radar pulse dimension were assessed. The effect resulting from the use of different interpolation techniques was also evaluated. Of those techniques tested, the best are the Cressman distance-weighted averaging and linear distance-weighted averaging, with the closest neighbor and uniform weighting having more undesirable characteristics. The optimum influence radius is defined as the influence radius at which the ratio of the rms difference between the Fourier and least-squares responses (a measure of the aliasing) and the variance of the filtered wind field is minimized. This seeks to minimize the effect of energy aliased into scales other than the input wavelength. For the Cressman interpolation technique, the optimum influence radius is between 1.85 and 2.25 times the maximum data spacing. The range of acceptable influence radii includes consideration of the filtering by the radar of the data as it is collected, as well as the resolution of the final dataset. The optimum influence radius is dependent upon the largest data separation in the analysis domain. The absolute optimum influence radius is not significantly affected by inclusion of the radar-beam filtering effects.

Given, Terence↗
DOE OSTI2023

Generating accurate density matrices on the tangent space of a Grassmann manifold

Interpolating a density matrix from a set of known density matrices is not a trivial task. This is because a linear combination of density matrices does not necessarily correspond to another density matrix. In this Communication, density matrices are examined as objects of a Grassmann manifold. Although this manifold is not a vector space, its tangent space is a vector space. As a result, one can map the density matrices on this manifold to their corresponding vectors in the tangent space and then perform interpolations on that tangent space. The resulting interpolated vector can be mapped back to the Grassmann manifold, which can then be utilized (1) as an optimal initial guess for a self-consistent field (SCF) calculation or (2) to derive energy directly without time-consuming SCF iterations. Such a promising approach is denoted as Grassmann interpolation (G-Int). The hydrogen molecule has been used to illustrate that the described interpolated method in this work preserves the essential attributes of a density matrix. For phosphorus mononitride and ferrocene, it was demonstrated numerically that reference points for the definition of the corresponding tangent spaces can be chosen arbitrarily. In addition, the interpolated density matrices provide a superior and essentially converged initial guess for an SCF calculation to make the SCF procedure itself unnecessary. Finally, this accurate, efficient, robust, and systematically improved G-Int strategy has been used for the first time to generate highly accurate potential energy surfaces with fine details for the difficult case, ferrocene.

Chemistry↗
NASA NTRS2016

Simple Test Functions in Meshless Local Petrov-Galerkin Methods

Two meshless local Petrov-Galerkin (MLPG) methods based on two different trial functions but that use a simple linear test function were developed for beam and column problems. These methods used generalized moving least squares (GMLS) and radial basis (RB) interpolation functions as trial functions. These two methods were tested on various patch test problems. Both methods passed the patch tests successfully. Then the methods were applied to various beam vibration problems and problems involving Euler and Beck's columns. Both methods yielded accurate solutions for all problems studied. The simple linear test function offers considerable savings in computing efforts as the domain integrals involved in the weak form are avoided. The two methods based on this simple linear test function method produced accurate results for frequencies and buckling loads. Of the two methods studied, the method with radial basis trial functions is very attractive as the method is simple, accurate, and robust.

Raju, Ivatury S.↗
DOE OSTI2022

Non-intrusive reduced order modeling of natural convection in porous media using convolutional autoencoders: Comparison with linear subspace techniques

Natural convection in porous media is a highly nonlinear multiphysical problem relevant to many engineering applications (e.g., the process of CO 2 sequestration). Here, we extend and present a non-intrusive reduced order model of natural convection in porous media employing deep convolutional autoencoders for the compression and reconstruction and either radial basis function (RBF) interpolation or artificial neural networks (ANNs) for mapping parameters of partial differential equations (PDEs) on the corresponding nonlinear manifolds. To benchmark our approach, we also describe linear compression and reconstruction processes relying on proper orthogonal decomposition (POD) and ANNs. Further, we present comprehensive comparisons among different models through three benchmark problems. The reduced order models, linear and nonlinear approaches, are much faster than the finite element model, obtaining a maximum speed-up of 7 × 10 6 because our framework is not bound by the Courant–Friedrichs–Lewy condition; hence, it could deliver quantities of interest at any given time contrary to the finite element model. Our model’s accuracy still lies within a relative error of 7% in the worst-case scenario. We illustrate that, in specific settings, the nonlinear approach outperforms its linear counterpart and vice versa. We hypothesize that a visual comparison between principal component analysis (PCA) and t-Distributed Stochastic Neighbor Embedding (t-SNE) could indicate which method will perform better prior to employing any specific compression strategy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Level-set topology optimization with PDE generated conformal meshes

This paper presents a level-set topology optimization approach that uses conformal meshes for the analysis of the displacement field. The structure’s boundary is represented by the iso-contour of a level-set field discretized on a fixed background design mesh. The conformal mesh is updated for each design iteration via a PDE based mesh morphing process that identifies the set of facets in the background mesh that are homeomorphic to the boundary and relaxes the homeomorphic mesh to conform to the structure’s boundary and ensure high element quality. The conformal mesh allows for a more accurate computation of the response versus density and some level-set based methods which interpolate material properties using the volume fraction. Numerical examples illustrate the proposed approach by optimizing linear-elastic two- and three-dimensional structures, wherein insight into the performance of the mesh morphing process is provided. The examples also highlight the scalability of the approach.

42 ENGINEERING↗
NASA NTRS1974

A simplified package for calculating with splines

This package is designed to solve some of the elementary problems of spline interpretation and least squares fit. The subroutines fall into three basic categories. The first category involves computations with a given spline and/or knot sequence; the second category involves routines which calculate the coefficients of splines which perform a certain task (such as interpolation or least squares fit); and the last category is a banded equation solver for specific linear equations.

Smith, P. W.↗
DOE OSTI2015

Adaptive Multilinear Tensor Product Wavelets

Many foundational visualization techniques including isosurfacing, direct volume rendering and texture mapping rely on piecewise multilinear interpolation over the cells of a mesh. However, there has not been much focus within the visualization community on techniques that efficiently generate and encode globally continuous functions defined by the union of multilinear cells. Wavelets provide a rich context for analyzing and processing complicated datasets. In this paper, we exploit adaptive regular refinement as a means of representing and evaluating functions described by a subset of their nonzero wavelet coefficients. We analyze the dependencies involved in the wavelet transform and describe how to generate and represent the coarsest adaptive mesh with nodal function values such that the inverse wavelet transform is exactly reproduced via simple interpolation (subdivision) over the mesh elements. This allows for an adaptive, sparse representation of the function with on-demand evaluation at any point in the domain. In conclusion, we focus on the popular wavelets formed by tensor products of linear B-splines, resulting in an adaptive, nonconforming but crack-free quadtree (2D) or octree (3D) mesh that allows reproducing globally continuous functions via multilinear interpolation over its cells.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1996

Algebraic Multigrid by Smoothed Aggregation for Second and Fourth Order Elliptic Problems

Multigrid methods are very efficient iterative solvers for system of algebraic equations arising from finite element and finite difference discretization of elliptic boundary value problems. The main principle of multigrid methods is to complement the local exchange of information in point-wise iterative methods by a global one utilizing several related systems, called coarse levels, with a smaller number of variables. The coarse levels are often obtained as a hierarchy of discretizations with different characteristic meshsizes, but this requires that the discretization is controlled by the iterative method. To solve linear systems produced by existing finite element software, one needs to create an artificial hierarchy of coarse problems. The principal issue is then to obtain computational complexity and approximation properties similar to those for nested meshes, using only information in the matrix of the system and as little extra information as possible. Such algebraic multigrid method that uses the system matrix only was developed by Ruge. The prolongations were based on the matrix of the system by partial solution from given values at selected coarse points. The coarse grid points were selected so that each point would be interpolated to via so-called strong connections. Our approach is based on smoothed aggregation introduced recently by Vanek. First the set of nodes is decomposed into small mutually disjoint subsets. A tentative piecewise constant interpolation (in the discrete sense) is then defined on those subsets as piecewise constant for second order problems, and piecewise linear for fourth order problems. The prolongation operator is then obtained by smoothing the output of the tentative prolongation and coarse level operators are defined variationally.

Vanek, Petr↗
DOE OSTI2020

Gradient-based constrained optimization using a database of linear reduced-order models

A methodology grounded in model reduction is presented for accelerating the gradient-based solution of a family of linear or nonlinear constrained optimization problems where the constraints include at least one linear Partial Differential Equation (PDE). A key component of this methodology is the construction, during an offline phase, of a database of pointwise, linear, Projection-based Reduced-Order Models (PROM)s associated with a design parameter space and the linear PDE(s). A parameter sampling procedure based on an appropriate saturation assumption is proposed to maximize the efficiency of such a database of PROMs. A real-time method is also presented for interpolating at any queried but unsampled parameter vector in the design parameter space the relevant sensitivities of a PROM. The practical feasibility, computational advantages, and performance of the proposed methodology are demonstrated for several realistic, nonlinear, aerodynamic shape optimization problems governed by linear aeroelastic constraints.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

Rapid Aeroelastic Analysis of Blade Flutter in Turbomachines

The LINFLUX-AE computer code predicts flutter and forced responses of blades and vanes in turbomachines under subsonic, transonic, and supersonic flow conditions. The code solves the Euler equations of unsteady flow in a blade passage under the assumption that the blades vibrate harmonically at small amplitudes. The steady-state nonlinear Euler equations are solved by a separate program, then equations for unsteady flow components are obtained through linearization around the steady-state solution. A structural-dynamics analysis (see figure) is performed to determine the frequencies and mode shapes of blade vibrations, a preprocessor interpolates mode shapes from the structural-dynamics mesh onto the LINFLUX computational-fluid-dynamics mesh, and an interface code is used to convert the steady-state flow solution to a form required by LINFLUX. Then LINFLUX solves the linearized equations in the frequency domain to calculate the unsteady aerodynamic pressure distribution for a given vibration mode, frequency, and interblade phase angle. A post-processor uses the unsteady pressures to calculate generalized aerodynamic forces, response amplitudes, and eigenvalues (which determine the flutter frequency and damping). In comparison with the TURBO-AE aeroelastic-analysis code, which solves the equations in the time domain, LINFLUX-AE is 6 to 7 times faster.

Trudell, J. J.↗
NASA NTRS1966

Simple scale interpolator facilitates reading of graphs

Set of cards with scale divisions and a scale finder permits accurate reading of the coordinates of points on linear or logarithmic graphs plotted on rectangular grids. The set contains 34 different scales for linear plotting and 28 single cycle scales for log plots.

Fazio, A.↗
DOE OSTI2016

Explicit modeling of abiotic and landscape factors reveals precipitation and forests associated with aphid abundance

Abstract Increases in natural or noncrop habitat surrounding agricultural fields have been shown to be correlated with declines in insect crop pests. However, these patterns are highly variable across studies suggesting other important factors, such as abiotic drivers, which are rarely included in landscape models, may also contribute to variability in insect population abundance. The objective of this study was to explicitly account for the contribution of temperature and precipitation, in addition to landscape composition, on the abundance of a widespread insect crop pest, the soybean aphid ( Aphis glycines Matsumura), in Wisconsin soybean fields. We hypothesized that higher soybean aphid abundance would be associated with higher heat accumulation (e.g., growing degree days) and increasing noncrop habitat in the surrounding landscape, due to the presence of the overwintering primary hosts of soybean aphid. To evaluate these hypotheses, we used an ecoinformatics approach that relied on a large dataset collected across Wisconsin over a 9‐year period (2003–2011), for an average of 235 sites per year ( n = 2,110 fields total). We determined surrounding landscape composition (1.5‐km radius) using publicly available satellite‐derived land cover imagery and interpolated daily temperature and precipitation information from the National Weather Service COOP weather station network. We constructed linear mixed models for soybean aphid abundance based on abiotic and landscape explanatory variables and applied model averaging for prediction using an information theoretic framework. Over this broad spatial and temporal extent in Wisconsin, we found that variation in growing season precipitation was positively related to soybean aphid abundance, while higher precipitation during the nongrowing season had a negative effect on aphid populations. Additionally, we found that aphid populations were higher in areas with proportionally more forest but were lower in areas where minor crops, such as small grains, were more prevalent. Thus, our findings support our hypothesis that including abiotic drivers increases our understanding of crop pest abundance and distribution. Moreover, by explicitly modeling abiotic factors, we may be able to explore how variable climate in tandem with land cover patterns may affect current and future insect populations, with potentially critical implications for crop yields and agricultural food webs.

Stack Whitney, Kaitlin↗
DOE OSTI2017

A velocity/stress mixed stabilized nodal finite element for elastodynamics: Analysis and computations with strongly and weakly enforced boundary conditions

A new nodal mixed finite element is proposed for the simulation of linear elastodynamics and wave propagation problems in time domain. Our method is based on equal-order interpolation discrete spaces for both the velocity (or displacement) and stress (or strain) tensor variables. The mixed form is derived using either the velocity/stress or velocity/strain pair of unknowns, the latter being instrumental in extensions of the method to nonlinear mechanics. The proposed approach works equally well on hexahedral or tetrahedral grids and, for this reason, it is suitable for time-domain engineering applications in complex geometry. The peculiarity of the proposed approach is the use of the rate form of the stress update equation, which yields a set of governing equations with the structure of a non-dissipative space/time Friedrichs’ system. We complement standard traction boundary conditions for the stress with strongly and weakly enforced boundary conditions for the velocity (or displacement). Weakly enforced boundary conditions are particularly suitable when considering complex geometrical shapes, because they do not require dedicated data structures for the imposition of the boundary degrees of freedom, but, rather, they utilize the structure of the variational formulation. Here we also show how the framework of weakly enforced boundary conditions can be used to develop variational forms for multi-domain simulations of heterogeneous media. A complete analysis including stability and convergence proofs is included, in the case of a space–time variational approach. A series of computational tests are used to demonstrate and verify the performance of the proposed approach.

42 ENGINEERING↗