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NASA NTRS2002

Analysis of High Order Difference Methods for Multiscale Complex Compressible Flows

Accurate numerical simulations of complex multiscale compressible viscous flows, especially high speed turbulence combustion and acoustics, demand high order schemes with adaptive numerical dissipation controls. Standard high resolution shock-capturing methods are too dissipative to capture the small scales and/or long-time wave propagations without extreme grid refinements and small time steps. An integrated approach for the control of numerical dissipation in high order schemes with incremental studies was initiated. Here we further refine the analysis on, and improve the understanding of the adaptive numerical dissipation control strategy. Basically, the development of these schemes focuses on high order nondissipative schemes and takes advantage of the progress that has been made for the last 30 years in numerical methods for conservation laws, such as techniques for imposing boundary conditions, techniques for stability at shock waves, and techniques for stable and accurate long-time integration. We concentrate on high order centered spatial discretizations and a fourth-order Runge-Kutta temporal discretizations as the base scheme. Near the bound-aries, the base scheme has stable boundary difference operators. To further enhance stability, the split form of the inviscid flux derivatives is frequently used for smooth flow problems. To enhance nonlinear stability, linear high order numerical dissipations are employed away from discontinuities, and nonlinear filters are employed after each time step in order to suppress spurious oscillations near discontinuities to minimize the smearing of turbulent fluctuations. Although these schemes are built from many components, each of which is well-known, it is not entirely obvious how the different components be best connected. For example, the nonlinear filter could instead have been built into the spatial discretization, so that it would have been activated at each stage in the Runge-Kutta time stepping. We could think of a mechanism that activates the split form of the equations only at some parts of the domain. Another issue is how to define good sensors for determining in which parts of the computational domain a certain feature should be filtered by the appropriate numerical dissipation. For the present study we employ a wavelet technique introduced in as sensors. Here, the method is briefly described with selected numerical experiments.

Sjoegreen, Bjoern↗

NASA NTRS2019

High-Order Finite-Difference Nonlinear Filter Methods for Subsonic Turbulence Simulation with Stochastic Forcing

Numerical stability of high-order filter schemes developed by Yee & Sjogreen is tested on three-dimensional turbulence simulations with stochastic forcing and their performance is compared with that of TVD and WENO schemes. The best performing filter method employs an eighth-order central base scheme with the Kennedy & Gruber skew-symmetric splitting of the inviscid flux derivative, a wavelet-based local flow sensor, a nonlinear filter utilizing the dissipative portion of seventh-order \VENO scheme, and an explicit third - or fourth-order Runge-Kutta time integration. We show that the filter scheme is more computational]y efficient and provides a wider spectral bandwidth compared to the seventh-order WENO scheme. The method also demonstrates robust long-time integration for moderately compressible turbulence. In contrast, the fifth- and seventh order WENO schemes show non-trivial evolution of the velocity and density power spectra. over a. few dozen dynamical times, where both TVD and filter schemes recover a so lid statistically stationary turbulent state

Kritsuk, Alexei G.↗

NASA NTRS2000

Progress in the Development of a Class of Efficient Low Dissipative High Order Shock-capturing Methods

In a series of papers, Olsson (1994, 1995), Olsson & Oliger (1994), Strand (1994), Gerritsen Olsson (1996), Yee et al. (1999a,b, 2000) and Sandham & Yee (2000), the issue of nonlinear stability of the compressible Euler and Navier-Stokes Equations, including physical boundaries, and the corresponding development of the discrete analogue of nonlinear stable high order schemes, including boundary schemes, were developed, extended and evaluated for various fluid flows. High order here refers to spatial schemes that are essentially fourth-order or higher away from shock and shear regions. The objective of this paper is to give an overview of the progress of the low dissipative high order shock-capturing schemes proposed by Yee et al. (1999a,b, 2000). This class of schemes consists of simple non-dissipative high order compact or non-compact central spatial differencings and adaptive nonlinear numerical dissipation operators to minimize the use of numerical dissipation. The amount of numerical dissipation is further minimized by applying the scheme to the entropy splitting form of the inviscid flux derivatives, and by rewriting the viscous terms to minimize odd-even decoupling before the application of the central scheme (Sandham & Yee). The efficiency and accuracy of these scheme are compared with spectral, TVD and fifth- order WENO schemes. A new approach of Sjogreen & Yee (2000) utilizing non-orthogonal multi-resolution wavelet basis functions as sensors to dynamically determine the appropriate amount of numerical dissipation to be added to the non-dissipative high order spatial scheme at each grid point will be discussed. Numerical experiments of long time integration of smooth flows, shock-turbulence interactions, direct numerical simulations of a 3-D compressible turbulent plane channel flow, and various mixing layer problems indicate that these schemes are especially suitable for practical complex problems in nonlinear aeroacoustics, rotorcraft dynamics, direct numerical simulation or large eddy simulation of compressible turbulent flows at various speeds including high-speed shock-turbulence interactions, and general long time wave propagation problems. These schemes, including entropy splitting, have also been extended to freestream preserving schemes on curvilinear moving grids for a thermally perfect gas (Vinokur & Yee 2000).

Yee, H. C.↗

DOE OSTI2022

Assessment of diffuse-interface methods for compressible multiphase fluid flows and elastic-plastic deformation in solids

This work describes three diffuse-interface methods for the simulation of immiscible, compressible multiphase fluid flows and elastic-plastic deformation in solids. The first method is the localized-artificial-diffusivity approach of Cook, Subramaniam et al., and Adler and Lele, in which artificial diffusion terms are added to the individual phase mass fraction transport equations and are coupled with the other conservation equations. The second method is the gradient-form approach that is based on the quasi-conservative method of Shukla et al., in which the diffusion and sharpening terms (together called regularization terms) are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. The third approach is the divergence-form approach that is based on the fully conservative method of Jain et al., in which the regularization terms are added to the individual phase volume fraction transport equations and are coupled with the other conservation equations. In the present study, all three diffuse-interface methods are used in conjunction with a four-equation, multicomponent mixture model, in which pressure and temperature equilibria are assumed among the various phases. The primary objective of this work is to compare these three methods in terms of their ability to: maintain constant interface thickness throughout the simulation; conserve mass, momentum, and energy; and maintain accurate interface shape for long-time integration. The second objective of this work is to consistently extend these methods to model interfaces between solid materials with strength. To assess and compare the methods, they are used to simulate a wide variety of problems, including (1) advection of an air bubble in water, (2) shock interaction with a helium bubble in air, (3) shock interaction and the collapse of an air bubble in water, and (4) Richtmyer–Meshkov instability of a copper–aluminum interface. The current work focuses on comparing these methods in the limit of relatively coarse grid resolution, which illustrates the true performance of these methods. In conclusion, this is because it is rarely practical to use hundreds of grid points to resolve a single bubble or drop in large-scale simulations of engineering interest.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Rethinking materials simulations: Blending direct numerical simulations with neural operators

Abstract Materials simulations based on direct numerical solvers are accurate but computationally expensive for predicting materials evolution across length- and time-scales, due to the complexity of the underlying evolution equations, the nature of multiscale spatiotemporal interactions, and the need to reach long-time integration. We develop a method that blends direct numerical solvers with neural operators to accelerate such simulations. This methodology is based on the integration of a community numerical solver with a U-Net neural operator, enhanced by a temporal-conditioning mechanism to enable accurate extrapolation and efficient time-to-solution predictions of the dynamics. We demonstrate the effectiveness of this hybrid framework on simulations of microstructure evolution via the phase-field method. Such simulations exhibit high spatial gradients and the co-evolution of different material phases with simultaneous slow and fast materials dynamics. We establish accurate extrapolation of the coupled solver with large speed-up compared to DNS depending on the hybrid strategy utilized. This methodology is generalizable to a broad range of materials simulations, from solid mechanics to fluid dynamics, geophysics, climate, and more.

36 MATERIALS SCIENCE↗

DOE OSTI2023

WISDOM project – XVIII. Molecular gas distributions and kinematics of three megamaser galaxies

ABSTRACT The co-evolution of galaxies and supermassive black holes (SMBHs) underpins our understanding of galaxy evolution, but different methods to measure SMBH masses have only infrequently been cross-checked. We attempt to identify targets to cross-check two of the most accurate methods, megamaser, and cold molecular gas dynamics. Three promising galaxies are selected from all those with existing megamaser SMBH mass measurements. We present Atacama Large Millimeter/sub-millimeter Array (ALMA) 12CO (2–1) and 230-GHz continuum observations with angular resolutions of ≈0${_{.}^{\prime\prime}}$5. Every galaxy has an extended rotating molecular gas disc and 230-GHz continuum source(s), but all also have irregularities and/or non-axisymmetric features: NGC 1194 is highly inclined and has disturbed and lopsided central 12CO (2–1) emission; NGC 3393 has a nuclear disc with fairly regular but patchy 12CO (2–1) emission with little gas near the kinematic major axis, faint emission in the very centre, and two brighter structures reminiscent of a nuclear ring and/or spiral; NGC 5765B has a strong bar and very bright 12CO (2–1) emission concentrated along two bisymmetric offset dust lanes and two bisymmetric nuclear spiral arms. 12CO (2–1) and 12CO (3–2) observations with the James Clerk Maxwell Telescope are compared with the ALMA observations. Because of the disturbed gas kinematics and the impractically long integration times required for higher angular resolution observations, none of the three galaxies is suitable for a future SMBH mass measurement. None the less, increasing the number of molecular gas observations of megamaser galaxies is valuable, and the ubiquitous disturbances suggest a link between large-scale gas properties and the existence of megamasers.

Liang, Fu-Heng (ORCID:0000000324961247)↗

DOE OSTI2019

MAESTROeX: A Massively Parallel Low Mach Number Astrophysical Solver

@e present MAESTROeX, a massively parallel solver for low Mach number astrophysical flows. The underlying low Mach number equation set allows for efficient, long-time integration for highly subsonic flows compared to compressible approaches. MAESTROeX is suitable for modeling full spherical stars as well as well as planar simulations of dynamics within localized regions of a star, and can robustly handle several orders of magnitude of density and pressure stratification. Previously, we have described the development of the predecessor of MAESTROeX, called MAESTRO, in a series of papers. Here, we present a new, greatly simplified temporal integration scheme that retains the same order of accuracy as our previous approaches. We also explore the use of alternative spatial mapping of the one-dimensional base state onto the full Cartesian grid. The code leverages the new AMReX software framework for block-structured adaptive mesh refinement (AMR) applications, allowing for scalability to large fractions of leadership-class machines. Finally, using our previous studies on the convective phase of single-degenerate progenitor models of SNe Ia as a guide, we characterize the performance of the code and validate the new algorithmic features. Like MAESTRO, MAESTROeX is fully open source.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

MAESTROeX

MAESTROeX is a massively parallel, finite-volume C++/F90 solver for low Mach number astrophysical flows. The code utilizes a low Mach number equation set allowing for more efficient, long-time integration of highly subsonic flows compared to compressible approaches. The recommended range of applicability is for flows where the Mach number does not exceed~0.1.

Harpole, Alice↗

NASA NTRS1972

Standard deviation of scatterometer measurements from space.

The standard deviation of scatterometer measurements has been derived under assumptions applicable to spaceborne scatterometers. Numerical results are presented which show that, with sufficiently long integration times, input signal-to-noise ratios below unity do not cause excessive degradation of measurement accuracy. The effects on measurement accuracy due to varying integration times and changing the ratio of signal bandwidth to IF filter-noise bandwidth are also plotted. The results of the analysis may resolve a controversy by showing that in fact statistically useful scatterometer measurements can be made from space using a 20-W transmitter, such as will be used on the S-193 experiment for Skylab-A.

Fischer, R. E.↗

NASA NTRS1975

Environmental effects on the torsion and flexure fatigue properties of graphite-epoxy composites

Effects of torsional and flexural fatigue on the long-time integrity of advanced graphite-epoxy structural composites have been investigated. Reversed (R = - 1) and unidirectional (R = 0) torsional fatigue tests were made on unidirectional, cross-plied and woven graphite fiber materials in air and water at room temperature and at 74 C. Flexural fatigue tests (4-point bending) with R = - 1 were run in air and water at room temperature, and at R = 0 in air. Results show that in torsional cycling, both water environment and higher test temperature contribute to significant degradation of torsional stiffness. The degradation of stiffness from torsional stress cycling was observed to be much greater with R = - 1 than with simple R = 0 cycling. The effect of environment is also greater in the fully reversed cycling.

Sumsion, H. T.↗

NASA NTRS1981

The choice of numerical boundary conditions for hyperbolic systems

Two fundamental problems for mixed initial boundary value problems with applications in fluid mechanics are discussed. First, different stability properties are discussed which are of importance for long time integrations and steady state calculations. Secondly, a new numerical technique for problems with an artificial boundary is introduced.

Gustafson, B.↗

NASA NTRS1983

Luminosity calibration of low redshift quasars

European (SERC) were combined with U.S. shifts on the IUE in order to obtain the long integration times required to record spectra of faint quasars. LWR spectra of the nearby giant radio galaxy Centarus A(NGC 5548) was attempted in an effort to determine the chemical composition and stellar populations in this unusual galaxy. The IUE results from the low redshift quasar study, combined with the data from an extensive ground based survey, are described.

Wampler, E. J.↗

NASA NTRS1986

Far-ultraviolet background observations at high galactic latitude. II - Diffuse emission

A single spectrum, of extremely long integration time, is used to place stringent new limits on the diffuse far-UV background in the 500-1200 A region. This spectrum, obtained in the vicinity of the North Galactic Pole with the Voyager 2 UV spectrometer, can be explained solely on the basis of resonant scattering from interplanetary H I and He I. Limits on any additional sources of sky background radiation corresponding to 100-200 photons/sq cm per sec/sr per A for continuum emission and 6000 photons/sq cm per sec/sr for line emission are demonstrated. Comparisons of these upper limits with existing measurements and various potential source mechanisms are discussed. The first detection of resonantly scattered interplanetary H I Ly-gamma (973 A) emission is reported.

Holberg, J. B.↗

NASA NTRS1990

New laser materials for laser diode pumping

The potential advantages of laser diode pumped solid state lasers are many with high overall efficiency being the most important. In order to realize these advantages, the solid state laser material needs to be optimized for diode laser pumping and for the particular application. In the case of the Nd laser, materials with a longer upper level radiative lifetime are desirable. This is because the laser diode is fundamentally a cw source, and to obtain high energy storage, a long integration time is necessary. Fluoride crystals are investigated as host materials for the Nd laser and also for IR laser transitions in other rare earths, such as the 2 micron Ho laser and the 3 micron Er laser. The approach is to investigate both known crystals, such as BaY2F8, as well as new crystals such as NaYF8. Emphasis is on the growth and spectroscopy of BaY2F8. These two efforts are parallel efforts. The growth effort is aimed at establishing conditions for obtaining large, high quality boules for laser samples. This requires numerous experimental growth runs; however, from these runs, samples suitable for spectroscopy become available.

Jenssen, H. P.↗

NASA NTRS1991

The effects of rotation on initially anisotropic homogeneous flows

Rotation of initially anisotropic homogeneous flows is studied using a model spectral tensor. It is shown that the anisotropy changes because of the influence of rotation through phase scrambling. Phase scrambling causes the Reynolds stresses to develop with damped oscillations. The final Reynolds stress anisotropy is found to be proportional to the initial structural tensor anisotropy. Closure models for the rapid pressure strain terms should reflect this change in anisotropy, and should drive the anisotropy to reach its final predicted state. Finally, it is shown that long-time integration using direct numerical simulations should be treated with care because phase scrambling effects on a discrete wave space can cause loss of resolution when time becomes large.

Mansour, Nagi N.↗

NASA NTRS1993

Ultraviolet properties of individual hot stars in globular cluster cores. I - NGC 1904 (M79)

As part of an observing program using the IUE satellite to investigate the properties of stars within the cores of Galactic globular clusters, we have obtained three spectra of the cluster NGC 1904 (M79). All three were long-integration-time, short-wavelength (SWP) spectra obtained at the so-called 'center-of-light', and all three showed evidence of multiple sources within the IUE large aperture. We describe the analysis of these spectra and present evidence that the UV sources represent individual hot stars in the post-horizontal-branch stage of evolution. We see more UV-bright objects in the core of this cluster than expected from surveys of similar objects discovered in the outer regions of other globulars, leading us to conclude that dynamical effects in the core may significantly alter the path of evolution off the horizontal branch. The spectra also appear to be fitted more closely by models using Population I metal abundances than by Population II abundance models.

Altner, B.↗

NASA NTRS1997

On spurious behavior of CFD simulations

Spurious behavior in underresolved grids and/or semi-implicit temporal discretizations for four computational fluid dynamics (CFD) simulations are studied. The numerical simulations consist of (a) a 1-D chemically relaxed nonequilibrium model, (b) the direct numerical simulation (DNS) of 2-D incompressible flow over a backward facing step, (c) a loosely-coupled approach for a 2-D fluid-structure interaction, and (d) a 3-D compressible unsteady flow simulation of vortex breakdown in delta wings. Using knowledge from dynamical systems theory, various types of spurious behaviors that are numerical artifacts were systematically identified. These studies revealed the various possible dangers of misinterpreting numerical simulation of realistic complex flows that are constrained by the available computing power. In large scale computations underresolved grids, semi-implicit procedures, loosely-coupled implicit procedures, and insufficiently long time integration in DNS are most often unavoidable. Consequently, care must be taken in both computation and in interpretation of the numerical data. The results presented confirm the important role that dynamical systems theory can play in the understanding of the nonlinear behavior of numerical algorithms and in aiding the identification of the sources of numerical uncertainties in CFD.

Numerical Solution↗

NASA NTRS1976

Environmental Effects on Graphite-Epoxy Fatigue Properties

Effects of torsional and flexural fatigue on the long-time Integrity of advanced graphite-epoxy structural composites have been investigated. Torsional fatigue tests were run at stress ratios of R = 0 (zero to maximum, repeated) and R = -1 (zero mean stress) on unidirectional, angleply, and woven graphite fiber materials in air and water at room temperature and at 74 C. Flexural fatigue tests (four-point bending) with R = -1 were run in air and water at room temperature, and with R = 0 in air. Results show that, in torsional cycling, both water environment and higher test temperature contribute to significant degradation of torsional stiffness. The degradation of stiffness from torsional stress cycling was observed to be much greater with R = -1 than with simple R = 0 cycling. The effect of environment also is greater in the fully reversed cycling. Flexural fatigue results on +/- 30 deg material show a large fatigue effect, with fatigue limits of less than 50% and 30% of the static failure strength for specimens tested under stress ratios of R = 0 and R = -1, respectively. Compliance measurements indicate that the final failures are preceded by damage initiation and accumulation, which begins at about 1% of the specimen life.

Sumsion, H. T.↗