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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Numerical simulation using vorticity-vector potential formulation

An accurate and efficient computational method is needed for three-dimensional incompressible viscous flows in engineering applications. On solving the turbulent shear flows directly or using the subgrid scale model, it is indispensable to resolve the small scale fluid motions as well as the large scale motions. From this point of view, the pseudo-spectral method is used so far as the computational method. However, the finite difference or the finite element methods are widely applied for computing the flow with practical importance since these methods are easily applied to the flows with complex geometric configurations. However, there exist several problems in applying the finite difference method to direct and large eddy simulations. Accuracy is one of most important problems. This point was already addressed by the present author on the direct simulations on the instability of the plane Poiseuille flow and also on the transition to turbulence. In order to obtain high efficiency, the multi-grid Poisson solver is combined with the higher-order, accurate finite difference method. The formulation method is also one of the most important problems in applying the finite difference method to the incompressible turbulent flows. The three-dimensional Navier-Stokes equations have been solved so far in the primitive variables formulation. One of the major difficulties of this method is the rigorous satisfaction of the equation of continuity. In general, the staggered grid is used for the satisfaction of the solenoidal condition for the velocity field at the wall boundary. However, the velocity field satisfies the equation of continuity automatically in the vorticity-vector potential formulation. From this point of view, the vorticity-vector potential method was extended to the generalized coordinate system. In the present article, we adopt the vorticity-vector potential formulation, the generalized coordinate system, and the 4th-order accurate difference method as the computational method. We present the computational method and apply the present method to computations of flows in a square cavity at large Reynolds number in order to investigate its effectiveness.

Tokunaga, Hiroshi↗
NASA NTRS2013

Solutions of the Taylor-Green Vortex Problem Using High-Resolution Explicit Finite Difference Methods

A computational fluid dynamics code that solves the compressible Navier-Stokes equations was applied to the Taylor-Green vortex problem to examine the code s ability to accurately simulate the vortex decay and subsequent turbulence. The code, WRLES (Wave Resolving Large-Eddy Simulation), uses explicit central-differencing to compute the spatial derivatives and explicit Low Dispersion Runge-Kutta methods for the temporal discretization. The flow was first studied and characterized using Bogey & Bailley s 13-point dispersion relation preserving (DRP) scheme. The kinetic energy dissipation rate, computed both directly and from the enstrophy field, vorticity contours, and the energy spectra are examined. Results are in excellent agreement with a reference solution obtained using a spectral method and provide insight into computations of turbulent flows. In addition the following studies were performed: a comparison of 4th-, 8th-, 12th- and DRP spatial differencing schemes, the effect of the solution filtering on the results, the effect of large-eddy simulation sub-grid scale models, and the effect of high-order discretization of the viscous terms.

DeBonis, James R.↗
NASA NTRS1989

Fourier transform methods in local gravity modeling

New algorithms were derived for computing terrain corrections, all components of the attraction of the topography at the topographic surface and the gradients of these attractions. These algoriithms utilize fast Fourier transforms, but, in contrast to methods currently in use, all divergences of the integrals are removed during the analysis. Sequential methods employing a smooth intermediate reference surface were developed to avoid the very large transforms necessary when making computations at high resolution over a wide area. A new method for the numerical solution of Molodensky's problem was developed to mitigate the convergence difficulties that occur at short wavelengths with methods based on a Taylor series expansion. A trial field on a level surface is continued analytically to the topographic surface, and compared with that predicted from gravity observations. The difference is used to compute a correction to the trial field and the process iterated. Special techniques are employed to speed convergence and prevent oscillations. Three different spectral methods for fitting a point-mass set to a gravity field given on a regular grid at constant elevation are described. Two of the methods differ in the way that the spectrum of the point-mass set, which extends to infinite wave number, is matched to that of the gravity field which is band-limited. The third method is essentially a space-domain technique in which Fourier methods are used to solve a set of simultaneous equations.

Harrison, J. C.↗
NASA NTRS1991

A general weight matrix formulation using optimal control

Classical methods from optimal control theory are used in deriving general forms for neural network weights. The network learning or application task is encoded in a performance index of a general structure. Consequently, different instances of this performance index lead to special cases of weight rules, including some well-known forms. Comparisons are made with the outer product rule, spectral methods, and recurrent back-propagation. Simulation results and comparisons are presented.

Farotimi, Oluseyi↗
NASA NTRS1984

The time evolution of spectral discretizations of hyperbolic systems

A Chebyshev collocation spectral method, applied to hyperbolic systems is considered, particularly for those initial boundary value problems which possess only solutions tending to zero at large times. It is shown that the numerical solutions of the system will also vanish at infinity, if and only if, the numerical solution of a scalar equation of the same type does. This result is then generalized for other spectral approximations.

Lustman, L.↗
NASA NTRS1995

Field lines and magnetic surfaces in a two-component slab/2D model of interplanetary magnetic fluctuations

A two-component model for the spectrum of interplanetary magnetic fluctuations was proposed on the basis of ISEE observations, and has found an intriguing level of application in other solar wind studies. The model fluctuations consist of a fraction of 'slab' fluctuations, varying only in the direction parallel to the locally uniform mean magnetic field B(0) and a complement of 2D (two-dimensional) fluctuations that vary in the directions transverse to B(0). We have developed an spectral method computational algorithm for computing the magnetic flux surfaces (flux tubes) associated with the composite model, based upon a precise analogy with equations for ideal transport of a passive scalar in planar two dimensional geometry. Visualization of various composite models will be presented, including the 80 percent 2D/ 20 percent slab model with delta B/B(0) approximately equals 1 and a minus 5/3 spectral law, that is thought to approximately represent a snapshot of solar wind turbulence. Characteristically, the visualizations show that flux tubes, even when defined as regular on some plane, shred and disperse rapidly as they are viewed along the parallel direction. This diffusive process, which generalizes the standard picture of field line random walk, will be discussed in detail. Evidently, the traditional picture that flux tubes randomize like strands of spaghetti with a uniform tangle along the axial direction is in need of modification.

Matthaeus, W. H.↗
NASA NTRS1990

Spectral simulation of unsteady compressible flow past a circular cylinder

An unsteady compressible viscous wake flow past a circular cylinder was successfully simulated using spectral methods. A new approach in using the Chebyshev collocation method for periodic problems is introduced. It was further proved that the eigenvalues associated with the differentiation matrix are purely imaginary, reflecting the periodicity of the problem. It was been shown that the solution of a model problem has exponential growth in time if improper boundary conditions are used. A characteristic boundary condition, which is based on the characteristics of the Euler equations of gas dynamics, was derived for the spectral code. The primary vortex shedding frequency computed agrees well with the results in the literature for Mach = 0.4, Re = 80. No secondary frequency is observed in the power spectrum analysis of the pressure data.

Don, Wai-Sun↗
NASA NTRS1986

Turbulent magnetic reconnection

The results of two-dimensional spectral-method MHD simulations of the effect of turbulence on magnetic-reconnection processes are presented in extensive graphs and tables and characterized in detail. In a periodic sheet-pinch configuration, early-onset, persistent turbulence is found to occur when a low level of broadband fluctuations is introduced into the initial data. Features observed include small-scale unsteady coherent electric-current and vorticity structures, enhanced viscous and resistive dissipation, unsteady and spatially asymmetric fluid flow, large-scale and small-scale magnetic islands, multiple X points, large-amplitude electric-field fluctuations, and spectral characteristics indicating that the turbulence is broadband in both spatial directions and similar to homogeneous MHD turbulence. The importance of reconnection for studies of solar, magnetospheric, and laboratory plasmas in inhomogeneous magnetic fields is indicated.

Matthaeus, W. H.↗
NASA NTRS1975

Shortgrass prairie spectral measurements

The spectral methods of vegetation analysis not only measure herbage biomass on a nondestructive basis but also can be adapted to aircraft and satellite devices to map the spatial distribution over an area in an efficient and economical fashion. This study reviews the ground-based in situ field spectrometry in the 0.350-0.800 micron region of the spectrum. A statistical analysis of in situ spectroreflectance data from sample plots of the shortgrass prairie shows that green biomass, chlorophyll concentration, and leaf water content are directly interrelated to that composite property of the plot which is called functioning green biomass. Spectrocorrelation data indicate the spectral regions of optimum sensitivity for a remote estimation of the green biomass, chlorophyll, and leaf water content. The near-infrared region of the spectrum shows a high positive spectrocorrelation to these three sample parameters, regardless of the amount of standing dead vegetation.

Tucker, C. J.↗
DOE OSTI2025

Surrogate Model for Distribution Networks Influenced by Weather

Here, we propose a method for generating reduced representations of time series and for constructing low dimensional surrogate models for time dependent calculations of power and voltage in distribution networks. We employ Fourier polynomials. The surrogate model strategy is aimed at reducing the computational cost of time dependent simulations, albeit, at the expense of fidelity. The reduced representation is achieved by identifying a small and most consequential subset of degrees of freedom. In power and voltage distribution networks dynamics that are heavily influenced by strong cyclic weather events, e.g., the hourly, diurnal and seasonal cycles, the weather/climate time series spectrum exposes these most energetic components. Once the degrees of freedom are identified their amplitudes are optimized using training data. The key challenge in using spectral methods in power network surrogates is addressing the computation of quotients. For this we propose a numerically-stable deconvolution strategy.

Weather events↗
NASA NTRS2004

Crustal Magnetic Spectra from Correlated Sources on Mars

The spectral method for distinguishing crustal from core-source magnetic fields has been re-examined, modified and applied to both a comprehensive geomagnetic field model and an altitude normalized magnetic map of Mars. These observational spectra are fairly fitted by theoretical forms expected from certain elementary classes of magnetic sources. For Earth we found fields from a core radius 3512 +/- 64 km and a crust represented by a shell of random dipolar sources at radius 6367 +/- 14 km. For Mars we found only a field from a crust represented in the same way, but 46 +/- 10 km below the planetary menu radius. More realistic theoretical spectra, allowing for crustal thickness, oblateness and magnetization by a planet centered dipole, were derived and discussed, as were spectral effects of laterally correlated sources. The main effect of laterally correlated sources is to soften the spectrum at high degrees. We tend to over-estimate source shell depth when this is omitted. To include this effect simply size and magnetization distribution functions for extended sources are recast as a characteristic diameter and mean square magnetization amplitude for an ensemble of vertically magnetized spherical caps on a shell. For small caps, and at moderated degrees, the practical derivatives of the log-theoretical spectrum with respect to amplitude, shell radius, and cap diameter are approximately proportional to l, n, and -n **2, respectively. Separation of diameter from amplitude from layer thickness. Results from applications to observational spectra are discussed, noting that there are now several fine field models for Mars; moreover, the terrestrial magnetic spectrum at high degrees, as revised, updated with high precision Oerstad data, and upgrade with high resolution Champ data, appears softer than before.

Voorhies, Coerte V.↗
NASA NTRS2000

A Melting Layer Model for Passive/Active Microwave Remote Sensing Applications: Model Formulation and Comparison with Observations - Part 1

In this study, a 1-D steady-state microphysical model which describes the vertical distribution of melting precipitation particles is developed. The model is driven by the ice-phase precipitation distributions just above the freezing level at applicable gridpoints of "parent" 3-D cloud-resolving model (CRM) simulations. It extends these simulations by providing the number density and meltwater fraction of each particle in finely separated size categories through the melting layer. The depth of the modeled melting layer is primarily determined by the initial material density of the ice-phase precipitation. The radiative properties of melting precipitation at microwave frequencies are calculated based upon different methods for describing the dielectric properties of mixed phase particles. Particle absorption and scattering efficiencies at the Tropical Rainfall Measuring Mission Microwave Imager frequencies (10.65 to 85.5 GHz) are enhanced greatly for relatively small (approx. 0.1) meltwater fractions. The relatively large number of partially-melted particles just below the freezing level in stratiform regions leads to significant microwave absorption, well-exceeding the absorption by rain at the base of the melting layer. Calculated precipitation backscatter efficiencies at the Precipitation Radar frequency (13.8 GHz) increase in proportion to the particle meltwater fraction, leading to a "bright-band" of enhanced radar reflectivities in agreement with previous studies. The radiative properties of the melting layer are determined by the choice of dielectric models and the initial water contents and material densities of the "seeding" ice-phase precipitation particles. Simulated melting layer profiles based upon snow described by the Fabry-Szyrmer core-shell dielectric model and graupel described by the Maxwell-Garnett water matrix dielectric model lead to reasonable agreement with radar-derived melting layer optical depth distributions. Moreover, control profiles that do not contain mixed-phase precipitation particles yield optical depths that are systematically lower than those observed. Therefore, the use of the melting layer model to extend 3-D CRM simulations appears justified, at least until more realistic spectral methods for describing melting precipitation in high-resolution, 3-D CRM's are implemented.

Olson, William S.↗
DOE OSTI2025

Mixed quantum-classical methods for polaron spectral functions

In this work, using two distinct semiclassical approaches—namely, the mean-field Ehrenfest method and the mapping approach to surface hopping—we investigate the spectral function of a single charge interacting with phonons on a lattice. This quantity is relevant for the description of angle-resolved photoemission experiments. Focusing on the one-dimensional Holstein model, we compare the performance of these approaches across a range of coupling strengths and lattice sizes, exposing the relative strengths and weaknesses of each. We demonstrate that these approaches can be efficiently applied with reasonable accuracy to ab initio polaron models. Furthermore, our work provides a route to the calculation of spectral properties in realistic electron–phonon-coupled systems in a computationally inexpensive manner with encouraging accuracy.

Atomic and molecular spectra↗
NASA NTRS2018

An Accurate Method for Correcting Spectral Convolution Errors in Intercalibration of Broadband and Hyperspectral Sensors

The intercalibration between a broadband and a hyperspectral satellite Earth observation system requires the convolution of the hyperspectral data with the spectral response functions (SRFs) of the corresponding broadband channels. There are two potential issues associated with the convolution procedure. First, the finite resolution of a hyperspectral spectrum, that is, the deviation from the highly accurate line-by-line monochromatic radiances, will contribute to convolution errors. The magnitude of the errors depends on the spectral resolution and the SRF shape of the hyperspectral instrument. This type of the convolution error has not been well recognized, and there is a lack of corresponding discussion in most published papers. Although it is small as compared with the instrument accuracy of existing hyperspectral sounders, the error is deemed to be signicant when it is compared with the stringent calibration requirement imposed by future climate missions like the Climate Absolute Radiance and Refractivity Observatory (CLARREO). Second, some broadband channels are insufficiently covered by the hyperspectral data, causing spectral gaps that lead to convolution errors. Although several methods have been developed to fill the spectral gaps and hence compensate for the second type of convolution error, the correction accuracy may still need improvement especially when a large spectral gap needs to be lled. This paper presents a methodology to accurately quantify and compensate for both types of convolution errors. This methodology utilizes the available hyperspectral information to correct the scene-dependent convolution errors due to either the limited spectral resolution or spectral gaps. We use simulations to characterize the intercalibration errors between the Moderate resolution Imaging Spectroradiometer (MODIS) and current operational infrared sounders. We demonstrate that convolution errors can be effectively removed to meet the highly accurate intersatellite calibration requirement proposed by the Climate Absolute Radiance and Refractivity Observatory. Our methodology is also validated using real satellite data for the intercalibration between Aqua MODIS and Aqua Atmospheric Infrared Sounders (AIRS). Our study demonstrates that the accurate characterization and correction for the convolution errors greatly reduces the scene-dependent and spectrally dependent errors, being critical to the consistency check between Infrared Atmospheric Sounding Interferometer (IASI) and AIRS using the double-difference method. The convolution correction also facilitates the evaluation for other intercalibration errors (e.g., the drift of MODIS SRFs). Our derived SRF shift values from MODIS-AIRS (after convolution error corrections) and from MODIS-IASI intercalibration are consistent with each other. We further extend the methodology to study the calibration of a broadband channel which is either completely or largely uncovered bya hyperspectral measurement.The large spectral gap-filling methodology is validated by demonstrating the accurate prediction of the MODIS radiance of band 29 using the Cross-track Infrared Sounder spectra, with the real IASI spectral data being used as the reference.

Correction Method↗
DOE OSTI2024

GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading

Fourier pseudo-spectral methods for nonlinear partial differential equations are of wide interest in many areas of advanced computational science, including direct numerical simulation of three-dimensional (3-D) turbulence governed by the Navier-Stokes equations in fluid dynamics. This paper presents a new capability for simulating turbulence at a new record resolution up to 35 trillion grid points, on the world's first exascale computer, Frontier, comprising AMD MI250x GPUs with HPE's Slingshot interconnect and operated by the US Department of Energy's Oak Ridge Leadership Computing Facility (OLCF). Key programming strategies designed to take maximum advantage of the machine architecture involve performing almost all computations on the GPU which has the same memory capacity as the CPU, performing all-to-all communication among sets of parallel processes directly on the GPU, and targeting GPUs efficiently using OpenMP offloading for intensive number-crunching including 1-D Fast Fourier Transforms (FFT) performed using AMD ROCm library calls. With 99% of computing power on Frontier being on the GPU, leaving the CPU idle leads to a net performance gain via avoiding the overhead of data movement between host and device except when needed for some I/O purposes. Memory footprint including the size of communication buffers for MPI_ALLTOALL is managed carefully to maximize the largest problem size possible for a given node count. Detailed performance data including separate contributions from different categories of operations to the elapsed wall time per step are reported for five grid resolutions, from 2048 3 on a single node to 32768 3 on 4096 or 8192 nodes out of 9408 on the system. Both 1D and 2D domain decompositions which divide a 3D periodic domain into slabs and pencils respectively are implemented. The present code suite (labeled by the acronym GESTS, GPUs for Extreme Scale Turbulence Simulations) achieves a figure of merit (in grid points per second) exceeding goals set in the Center for Accelerated Application Readiness (CAAR) program for Frontier. The performance attained is highly favorable in both weak scaling and strong scaling, with notable departures only for 2048 3 where communication is entirely intra-node, and for 32768 3 , where a challenge due to small message sizes does arise. Communication performance is addressed further using a lightweight test code that performs all-to-all communication in a manner matching the full turbulence simulation code. Performance at large problem sizes is affected by both small message size due to high node counts as well as dragonfly network topology features on the machine, but is consistent with official expectations of sustained performance on Frontier. Overall, although not perfect, the scalability achieved at the extreme problem size of 32768 3 (and up to 8192 nodes — which corresponds to hardware rated at just under 1 exaflop/sec of theoretical peak computational performance) is arguably better than the scalability observed using prior state-of-the-art algorithms on Frontier's predecessor machine (Summit) at OLCF. New science results for the study of intermittency in turbulence enabled by this code and its extensions are to be reported separately in the near future.

3D fast Fourier transform↗
DOE OSTI2024

Co-design of a wave energy converter for autonomous power

A "bolt-on" wave energy converter is designed to provide power for sensors on an existing oceanographic buoy. The narrow-banded pitch/roll response of the target oceanographic buoy lends itself to a tuned-resonator design, for which we suggest a novel "pitch resonator" wave energy converter concept. Using a pseudo-spectral method, the performance of the proposed wave energy converter is modeled in the range of sea states expected to be present at the target deployment location to study the e

Coe, Ryan Geoffrey↗
DOE OSTI2026

What do physics-informed DeepONets learn? Understanding and improving training for scientific computing applications

Physics-informed deep operator networks (DeepONets) have emerged as a promising approach toward numerically approximating the solution of partial differential equations (PDEs). In this work, we aim to develop further understanding of what is being learned by physics-informed DeepONets by assessing the universality of the extracted basis functions and demonstrating their potential toward model reduction with spectral methods. Results provide clarity about measuring the performance of a physics-informed DeepONet through the decays of singular values and expansion coefficients. In addition, we propose a transfer learning approach for improving training for physics-informed DeepONets between parameters of the same PDE as well as across different, but related, PDEs where these models struggle to train well. This approach results in significant error reduction and learned basis functions that are more effective in representing the solution of a PDE.

Deep operator networks↗
DOE OSTI2025

kokkos-fft: A shared-memory FFT for the Kokkos ecosystem

kokkos-fft provides a unified, performance-portable interface for Fast Fourier Transforms (FFTs) within the Kokkos ecosystem (C. Trott et al., 2021). It seamlessly integrates with leading local FFT libraries including FFTW, cuFFT, rocFFT, and oneMKL. Designed for simplicity and efficiency, kokkos-fft offers a user experience akin to numpy.fft for in-place and out-of-place transforms, while leveraging the raw speed of vendor-optimized libraries. A demonstration solving 2D Hasegawa-Wakatani turbulence with the Fourier spectral method illustrates how kokkos-fft can deliver significant speedups over Python-based alternatives without drastically increasing code complexity, empowering researchers to perform high-performance FFTs simply and effectively.

97 MATHEMATICS AND COMPUTING↗