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NASA NTRS1998

Discretization and Preconditioning Algorithms for the Euler and Navier-Stokes Equations on Unstructured Meshes

Chapter 1 briefly reviews several related topics associated with the symmetrization of systems of conservation laws and quasi-conservation laws: (1) Basic Entropy Symmetrization Theory; (2) Symmetrization and eigenvector scaling; (3) Symmetrization of the compressible Navier-Stokes equations; and (4) Symmetrization of the quasi-conservative form of the magnetohydrodynamic (MHD) equations. Chapter 2 describes one of the best known tools employed in the study of differential equations, the maximum principle: any function f(x) which satisfies the inequality f(double prime)>0 on the interval [a,b] attains its maximum value at one of the endpoints on the interval. Chapter three examines the upwind finite volume schemes for scalar and system conservation laws. The basic tasks in the upwind finite volume approach have already been presented: reconstruction, flux evaluation, and evolution. By far, the most difficult task in this process is the reconstruction step.

Bart, Timothy J.↗

NASA NTRS1988

On the convergence of difference approximations to scalar conservation laws

A unified treatment is given for time-explicit, two-level, second-order-resolution (SOR), total-variation-diminishing (TVD) approximations to scalar conservation laws. The schemes are assumed only to have conservation form and incremental form. A modified flux and a viscosity coefficient are introduced to obtain results in terms of the latter. The existence of a cell entropy inequality is discussed, and such an equality for all entropies is shown to imply that the scheme is an E scheme on monotone (actually more general) data, hence at most only first-order accurate in general. Convergence for TVD-SOR schemes approximating convex or concave conservation laws is shown by enforcing a single discrete entropy inequality.

Osher, Stanley↗

NASA NTRS1982

Recent applications of the transonic wing analysis computer code, TWING

An evaluation of the transonic-wing-analysis computer code TWING is given. TWING utilizes a fully implicit approximate factorization iteration scheme to solve the full potential equation in conservative form. A numerical elliptic-solver grid-generation scheme is used to generate the required finite-difference mesh. Several wing configurations were analyzed, and the limits of applicability of this code was evaluated. Comparisons of computed results were made with available experimental data. Results indicate that the code is robust, accurate (when significant viscous effects are not present), and efficient. TWING generally produces solutions an order of magnitude faster than other conservative full potential codes using successive-line overrelaxation. The present method is applicable to a wide range of isolated wing configurations including high-aspect-ratio transport wings and low-aspect-ratio, high-sweep, fighter configurations.

Subramanian, N. R.↗

NASA NTRS1985

On the convergence of difference approximations to scalar conservation laws

A unified treatment of explicit in time, two level, second order resolution, total variation diminishing, approximations to scalar conservation laws are presented. The schemes are assumed only to have conservation form and incremental form. A modified flux and a viscosity coefficient are introduced and results in terms of the latter are obtained. The existence of a cell entropy inequality is discussed and such an equality for all entropies is shown to imply that the scheme is an E scheme on monotone (actually more general) data, hence at most only first order accurate in general. Convergence for total variation diminishing-second order resolution schemes approximating convex or concave conservation laws is shown by enforcing a single discrete entropy inequality.

Osher, S.↗

NASA NTRS1977

Atmospheric model development in support of SEASAT. Volume 3: Prediction models

As part of the SEASAT program of NASA, a set of four hemispheric, atmospheric models are developed. The four models use a polar stereographic grid in the horizontal and a sigma coordinate in the vertical. Conservation forms of the difference equations are integrated using either a fifteen or four minute time step on a 381 km or 127 km grid (at 60 deg N) for the 63 x 63 or 187 x 187 models respectively. A nonlinear pressure smoother is used along with momentum and temperature diffusion to help control computational noise. The horizontal boundary conditions are insulated slippery walls. Centered time differencing with time averaging of the pressure gradient force term in the momentum equations is used. Robert time filtering on of the temperature and moisture solutions is used for computational stability. The moisture and heat source/sink terms are modeled. Terms representing evaporation and large scale condensation, sensible heat exchange, parameterized cumulus convection and precipitation, and solar and terrestrial radiation are included. Initialization of the models is based on a pattern conservation technique to obtain objective analysis of the state parameter structure from the surface to 50 mb.

Wellck, R. E.↗

DOE OSTI2020

A physics-informed operator regression framework for extracting data-driven continuum models

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering continuum models from high fidelity molecular simulation data. Our approach applies a neural network parameterization of governing physics in modal space, allowing a characterization of differential operators while providing structure which may be used to impose biases related to symmetry, isotropy, and conservation form. Here, we demonstrate the effectiveness of our framework for a variety of physics, including local and nonlocal diffusion processes and single and multiphase flows. For the flow physics we demonstrate this approach leads to a learned operator that generalizes to system characteristics not included in the training sets, such as variable particle sizes, densities, and concentration.

42 ENGINEERING↗

DOE OSTI2025

Numerical schemes for 3-wave kinetic equations: A complete treatment of the collision operator

In our previous work Walton and Tran (2023), numerical schemes for a simplified version of 3-wave kinetic equations, in which only the simple forward-cascade terms of the collision operators are kept, have been successfully designed, especially to capture the long time dynamics of the equation given the multiple blow-up time phenomenon. In this second work in the series, we propose numerical treatments for the complete 3-wave kinetic equations, in which the complete, much more complicated collision operators are fully considered based on a novel conservative form of the equation. Here we then derive an implicit finite volume scheme to solve the equation. The new discretization uses an adaptive time-stepping method which allows for the simulations to be carried to very long times. Our computed solutions are compared with previously derived long-time asymptotic estimates for the decay rate of total energy of time-dependent solutions of 3-wave kinetic equations and found to be in excellent agreement.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Generalized Kompaneets formalism for inelastic neutrino-nucleon scattering in supernova simulations

Based on the Kompaneets approximation, we develop a robust methodology to calculate spectral redistribution via inelastic neutrino-nucleon scattering in the context of core-collapse supernova simulations. The resulting equations conserve lepton number to machine precision and scale linearly, not quadratically, with number of energy groups. The formalism also provides an elegant means to derive the rate of energy transfer to matter which, as it must, automatically goes to zero when the neutrino radiation field is in thermal equilibrium. Furthermore, we derive the next higher order in $ϵ/mc^2$ correction to the neutrino Kompaneets equation. Unlike other Kompaneets schema, ours also generalizes to the case of anisotropic angular distributions, while retaining the conservative form that is a hallmark of the classical Kompaneets equation. In this work, our formalism enables immediate incorporation into supernova codes that follow the spectral angular moments of the neutrino radiation fields.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Beyond Magic Barrels: Digital manufacturing for crystallization, process development and optimization of explosive materials: Part II Resveratrol Exemplar

This SAND report summarizes work supported by an Engineering Sciences Research Foundation (ESRF) Lab Directed Research and Development (LDRD) project entitled “Beyond Magic Barrels: Digital manufacturing for crystallization, process development and optimization of explosive materials.” This SAND report is written in two parts with Part 1 discusses recrystallization of our explosive exemplar and Part 2 summarizing our work with recrystallization of resveratrol. We have studied resveratrol recrystallization with a multiscale approach combining experiments, modeling and simulation. At the single crystal scale, microscopy experiments illuminate crystal time-dependent growth rates using advanced image analysis. Bench scale experiments were carried out to look at growth of multiple particles in a small reactor creating thousands of particles and analyzing the results with microscopy and μCT. For the modeling we combine kinetic Monte Carlo (kMC) models with subscale information from density functional theory (DFT) or molecular dynamics. This work is discussed in Part 1 and can also be found in a paper from the project discussing a coarse-grained kMC model specifically developed for resveratrol. For well-mixed systems, we have population balance equations (PBE) linked with species mass conservation forming a set of ordinary differential equations that can be solved quickly. For more complicated geometries, such as the vat crystallization used throughout the complex, a coupled computational fluid dynamic (CFD)/PBE method was developed to account for gradients in temperature and concentration and differences in crystallization rates throughout the domain. These simulations are more complex and require high performance computing. We present results for two cases: 5% seed fast cool with parameters fit to the well-mixed case and 5% seed slow cool using the same parameters. We show reasonable agreement with experiments though are particles are significantly larger than the experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2020

MOCMC: Method of Characteristics Moment Closure, a Numerical Method for Covariant Radiation Magnetohydrodynamics

In this work, we present a conservative numerical method for radiation magnetohydrodynamics with frequency-dependent full transport in stationary spacetimes. This method is stable and accurate for both large and small optical depths and radiation pressures. The radiation stress–energy tensor is evolved in flux-conservative form, and closed with a swarm of samples that each transport a multigroup representation of the invariant specific intensity along a null geodesic. In each zone, the enclosed samples are used to efficiently construct a Delaunay triangulation of the unit sphere in the comoving frame, which in turn is used to calculate the Eddington tensor, average source terms, and adaptively refine the sample swarm. Furthermore, radiation four-forces are evaluated in the moment sector in a semi-implicit fashion. The radiative transfer equation is solved in invariant form deterministically for each sample. Since each sample carries a discrete representation of the full spectrum, the cost of evaluating the transport operator is independent of the number of frequency groups, representing a significant reduction of algorithmic complexity for transport in frequency-dependent problems. The major approximation we make in this work is performing scattering in an angle-averaged way. Local adaptivity in samples also makes this scheme more amenable to nonuniform meshes than a traditional Monte Carlo method. We describe the method and present results on a suite of test problems. We find that Method of Characteristics Moment Closure converges at least as ~N -1 , rather than the canonical Monte Carlo N -1/2 , where N is the number of samples per zone.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1973

The turbulent mean-flow, Reynolds-stress, and heat flux equations in mass-averaged dependent variables

The time-dependent, turbulent mean-flow, Reynolds stress, and heat flux equations in mass-averaged dependent variables are presented. These equations are given in conservative form for both generalized orthogonal and axisymmetric coordinates. For the case of small viscosity and thermal conductivity fluctuations, these equations are considerably simpler than the general Reynolds system of dependent variables for a compressible fluid and permit a more direct extension of low speed turbulence modeling to computer codes describing high speed turbulence fields.

Rubesin, M. W.↗

NASA NTRS1972

On the numerical solution of two-dimensional, laminar compressible flows with imbedded shock waves.

The complete, time-dependent Navier-Stokes equations are expressed in conservation form and solved by employing an explicit finite difference numerical technique which incorporates artificial viscosity terms of the form first suggested by Rusanov for numerical stability in the vicinity of shock waves. Surface boundary conditions are developed in a consistent and unique manner through the use of a physically oriented extrapolation procedure. From numerical experimentation an extended range for the explicit stability parameter is established. Also employed is an additional convergence parameter which relates incremental spatial steps. Convergence of the transient solution to a steady state flow was obtained after 400 to 500 time steps.

Goodrich, W. D.↗

NASA NTRS1973

Analysis of embedded shock waves calculated by relaxation methods.

The requirements for uniqueness of the calculated jump conditions across embedded shock waves are investigated for type-dependent difference systems used in transonic flow studies. A mathematical analysis shows that sufficient conditions are (1) the equations should be differenced in conservative form and (2) a special difference operator should be used when switching from a hyperbolic to an elliptic operator. The latter results in a consistency condition on the integral equations, rather than the differential, at these points. Calculated jump conditions for several embedded and detached shock waves are analyzed in the physical and hodograph planes. Comparisons are made with previous results, a time-dependent calculation, and data.

Murman, E. M.↗

NASA NTRS1974

A comparison of numerical solutions of the advective equation

Second- and third-order finite-difference methods recently applied to problems in high-speed fluid flow are applied to the model advection equation cast in conservative form. The differencing methods considered use forward time differencing with both centered and preferential space differences employed in the predictor-corrector sequences. The free parameter required for stability in the third-order method is adjusted to cause the solution to be either minimum dispersive or minimum dissipative in nature. Results indicate that the third-order method using minimum dispersion is the most accurate method tested. Computer time requirements are approximately twice those needed for second-order techniques.

Anderson, D.↗

NASA NTRS1974

Propagation of solar disturbances in interplanetary space

Time-dependent solutions of a one-fluid model of the interplanetary medium are investigated. This set of unsteady hydrodynamic equations has been written in conservation form in order to apply the Lax-Wendroff method for the solution of this problem. The initial condition is specified by a pulse at 1 solar radius. The equilibrium condition is chosen to be the steady solution of a quiet solar wind. The specified solar disturbances in this calculation are allowed to be both sub- and supersonic by the present theoretical formulation. The results are presented in terms of density, velocity, and temperature profiles of the interplanetary gas flow at heliocentric distances up to about 10 AU at any particular time. The trajectories of disturbances for various initial pulses are shown. Some 1972 solar-flare observational data are compared with these theoretical calculations. From these calculations, the effects on the interplanetary environment, due to the propagation of solar disturbances, can be determined.

Wu, S. T.↗

NASA NTRS1976

Numerical computation of transonic flows with shock waves

Some recent developments in numerical methods for calculating solutions to the transonic potential flow equation are reviewed, including (1) the construction of the stable coordinate independent difference schemes; (2) the use of conservation form to insure proper shock jump conditions; (3) analysis of the relaxation method by the time dependent analogy; (4) accelerated iterative schemes.

Jameson, A.↗

NASA NTRS1976

The multigrid method: Fast relaxation

A multi-level grid method was studied as a possible means of accelerating convergence in relaxation calculations for transonic flows. The method employs a hierarchy of grids, ranging from very coarse (e.g. 4 x 2 mesh cells) to fine (e.g. 64 x 32); the coarser grids are used to diminish the magnitude of the smooth part of the residuals, hopefully with far less total work than would be required with optimal iterations on the finest grid. To date the method was applied quite successfully to the solution of the transonic small-disturbance equation for the velocity potential in conservation form. Nonlifting transonic flow past a parabolic arc airfoil is the example studied, with meshes of both constant and variable step size.

South, J. C., Jr.↗

NASA NTRS1976

Interplanetary disturbances in the solar wind produced by density, temperature, or velocity pulses at 0.08 AU

Time-dependent solutions of a one-fluid model of the interplanetary medium are investigated. This set of unsteady hydrodynamic equations has been written in conserved form in order to apply the Lax-Wendroff (1960) method for the solution of this problem. The initial disturbance is specified by a pulse at 0.08 AU. Physically, this pulse can be interpreted as having been caused by a solar flare, surge, or any other solar disturbance. The equilibrium condition is determined to be the steady solution of the governing equations and represents the quiet solar wind. Results are presented in terms of density, temperature, and velocity profiles of the interplanetary gas flow at heliocentric distances up to 6 AU at several times. Also, the trajectories of disturbances for various initial pulses are shown. Some June 1972 interplanetary observational data are compared with these theoretical calculations. On the basis of these results, the effects of solar disturbances on the interplanetary environment (such as the generation of large nonlinear wave trains in the shock wakes) can be inferred.

Wu, S. T.↗