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DOE OSTI2025

Parallel-in-Time Solution of Scalar Nonlinear Conservation Laws

Here, we consider the parallel-in-time solution of scalar nonlinear conservation laws in one spatial dimension. The equations are discretized in space with a conservative finite-volume method using weighted essentially nonoscillatory (WENO) reconstructions, and in time with high-order explicit Runge–Kutta methods. The solution of the global, discretized space-time problem is sought via a nonlinear iteration that uses a novel linearization strategy in cases of nondifferentiable equations. Under certain choices of discretization and algorithmic parameters, the nonlinear iteration coincides with Newton’s method, although, more generally, it is a preconditioned residual correction scheme. At each nonlinear iteration, the linearized problem takes the form of a certain discretization of a linear conservation law over the space-time domain in question. An approximate parallel-in-time solution of the linearized problem is computed with a single multigrid reduction-in-time (MGRIT) iteration; however, any other effective parallel-in-time method could be used in its place. The MGRIT iteration employs a novel coarse-grid operator that is a modified conservative semi-Lagrangian discretization and generalizes those we have developed previously for nonconservative scalar linear hyperbolic problems. Numerical tests are performed for the inviscid Burgers and Buckley–Leverett equations. For many test problems, the solver converges in just a handful of iterations with a convergence rate independent of mesh resolution, including problems with (interacting) shocks and rarefactions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Sequentially coupled flow and geomechanical simulation with a discrete fracture model for analyzing fracturing fluid recovery and distribution in fractured ultra-low permeability gas reservoirs

More accurate characterization and prediction of the in-situ distribution of fracturing fluid in fractured reservoirs are needed for enhancing well productivity. In this study, an implicit-sequentially coupled flow/geomechanics simulator incorporating an efficient discrete fracture model is developed to model fluid distribution and recovery performance of ultra-low permeability gas reservoirs. The finite-volume and finite-element methods are used for space discretization of the flow and geomechanics equations, respectively, while the backward Euler method is employed for time discretization. The flow and geomechanics equations are solved sequentially based on fixed-stress splitting. An efficient discrete-fracture model is used to explicitly model the fractured system. Flexible unstructured gridding is employed to model arbitrarily-oriented fractures. The interrelations among pore volume, permeability and geomechanical conditions are considered dynamically using two-way coupled flow and geomechanics computations. The geometry of fracture (networks) due to hydraulic fracturing has significant impacts on the fracturing fluid recovery efficiency and ensuing fluid distribution. Under the same injection volume, the fracturing fluid recovery is higher when the fracture geometry is planar. Fluid recovery is relatively lower whenever natural fractures are activated during fracturing treatments; flowback time is also shortened when complex fracture network with enlarged fracture interface is present. Fracturing fluid in hydraulic fractures may leak off into the natural fractures and subsequently imbibes into the surrounding matrix due to capillarity effects. The fracturing fluid recovery and in-situ fluid distribution are sensitive to the shut-in duration and fracture closure behavior. This study analyzes the coupled flow-geomechanical responses of fractured gas reservoirs during the post-fracturing periods. Understanding the fate of the fracturing fluid can provide insights on, to some extent, the stimulated fracture volume, size of the water invasion zone, and efficiency of the fracturing design. The simulation predictions can also provide more accurate initial reservoir conditions (e.g. distributions of different phases and pressure) for long-term well performance estimation.

42 ENGINEERING↗

DOE OSTI2020

Recovering Gardner restacking with purely diffusive operations

The maximum particle kinetic energy that can be extracted from an initial six-dimensional phase space distribution motivates the concept of free or available energy. The free energy depends on the allowed operations that can be performed. A key concept underlying the theoretical treatment of plasmas is the Gardner free energy, where the exchange of the contents of equal phase volumes is allowed. Further, a second free energy concept is the diffusive free energy, in which the contents of volumes are instead averaged. For any finite discretization of phase space, the diffusive free energy is known to be less than the Gardner free energy. However, despite the apparent fundamental differences between these free energies, it is demonstrated here that the Gardner free energy may be recovered from the continuous limit of the diffusive free energy, leading to the surprise that macroscopic phase-space conservation can be achieved by ostensibly entropy-producing microscopic operations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1987

Euler solver for three-dimensional supersonic flows with subsonic pockets

A new finite-difference scheme has been developed to solve efficiently the unsteady Euler equations for three-dimensional inviscid supersonic flows with subsonic pockets. The technique utilizes planar Gauss-Seidel relaxation in the marching direction and approximate factorization n the crossflow plane. An 'infinitely large' time step is used in parts of the flowfield where the component of velocity in the marching direction is supersonic - here the Gauss-Seidel sweeps are restricted to the forward direction only, and the procedure reduces to simple space-marching; a finite time step is used in parts of the flowfield where the marching component of velocity is subsonic - here, backward and forward Gauss-Seidel sweeps are employed to allow for upstream and downstream propagation of signals, and a time-asymptotic steady state is obtained. The discretization formulas are based on finite-volume implementation of high accuracy (up to third-order) total variation diminishing formulations. Numerical solutions are obtained for an analytically defined forebody, a realistic fighter configuration, and the Space Shuttle. The results are in very good agreement with available experimental data and numerical solutions of the full-potential equation.

Chakravarthy, Sukumar R.↗

NASA NTRS1989

An explicit Runge-Kutta method for turbulent reacting flow calculations

The paper presents a numerical method for the solution of the conservation equations governing steady, reacting, turbulent viscous flow in two-dimensional geometries, in both Cartesian and axisymmetric coordinates. These equations are written in Favre-averaged form and closed with a first order model. A two-equation K-epsilon model, where low Reynolds number and compressibility effects are included, and a modified eddy-break up model are used to simulate fluid mechanics turbulence, chemistry and turbulence-combustion interaction. The solution is obtained by using a pseudo-unsteady method with improved perturbation propagation properties. The equations are discretized in space by using a finite volume formulation. An explicit multi-stage dissipative Runge-Kutta algorithm is then used to advance the flow equations in the pseudo-time. The method is applied to the computation of both diffusion and premixed turbulent reacting flows. The computed temperature distributions compare favorably with experimental data.

Boretti, A. A.↗

NASA NTRS1989

Transonic viscous flow calculations for a turbine cascade with a two equation turbulence model

A numerical method for the study of steady, transonic, turbulent viscous flow through plane turbine cascades is presented. The governing equations are written in Favre-averaged form and closed with a first order model. The turbulent quantities are expressed according to a two-equation kappa-epsilon model where low Reynolds number and compressibility effects are included. The solution is obtained by using a pseudo-unsteady method with improved perturbation propagation properties. The equations are discretized in space by using a finite volume formulation. An explicit multistage dissipative Runge-Kutta algorithm is then used to advance the flow equations in the pseudo-time. First results of calculations compare fairly well with experimental data.

Boretti, A. A.↗

NASA NTRS1991

Generalized conjugate-gradient methods for the Navier-Stokes equations

A generalized conjugate-gradient method is used to solve the two-dimensional, compressible Navier-Stokes equations of fluid flow. The equations are discretized with an implicit, upwind finite-volume formulation. Preconditioning techniques are incorporated into the new solver to accelerate convergence of the overall iterative method. The superiority of the new solver is demonstrated by comparisons with a conventional line Gauss-Siedel Relaxation solver. Computational test results for transonic flow (trailing edge flow in a transonic turbine cascade) and hypersonic flow (M = 6.0 shock-on-shock phenoena on a cylindrical leading edge) are presented. When applied to the transonic cascade case, the new solver is 4.4 times faster in terms of number of iterations and 3.1 times faster in terms of CPU time than the Relaxation solver. For the hypersonic shock case, the new solver is 3.0 times faster in terms of number of iterations and 2.2 times faster in terms of CPU time than the Relaxation solver.

Ajmani, Kumud↗

NASA NTRS1995

Resolution of the buoyancy in the 8-foot high temperature tunnel combustor

Currently, the 8-Foot High Temperature Tunnel (8-Ft. HTT) combustor produces a good profile at only one point (2000 psia and 3650 R with oxygen enrichment). Air is enriched with oxygen (liquid) so that the combustor product gas will contain the volumetric amount of oxygen normally found in air. The oxygen enriched air has a large fraction that is not reacted and flows through the outer periphery of the fuel injector. This ring of cold air in addition to the relatively cold walls of the combustor set up buoyancy forces that produce a segregation of relatively cool gases at the bottom of the combustor exit. The basic problem is to produce a test gas that has uniform properties at all combustor conditions. The combustor temperature may be as high as 3700 R or as low as 2000 R. Combustor pressures can be as high as 3500 psia (no oxygen enrichment) and as low as 600 psia. The segregation is most severe with oxygen enriched air, since its temperature is lower and its density is high. The combustor is lined with nickel 201 and can be operated at about 1600 R maximum. A global mixing process is desired that produces an acceptable profile of temperature, species, and velocity at the exit of the combustor. The ultimate goal is a temperature profile with about 100 R variance and about 2 percent variance in oxygen. The exit total temperature must not be lowered significantly by the mixing apparatus or mechanisms employed. If immersed bodies are used, they must also be kept very hot. All combustor wall modifications must be able to survive the heat and structural conditions of the varied operating conditions. Our approach to resolving this issue is being conducted in three stages: (1) Consider mixing exclusively, (2) Resolve the heat transfer concerns resulting from the chosen mixing strategy, and (3) Solve the material and structural problems resulting from stages (1) and (2). Since the 8-Ft. HTT is unavailable for experimentation, the study is conducted exclusively with computational fluid dynamic (CPD) codes (Fluent/Uns and Rampant 3.1) using unstructured grid through body fitted coordinates. Both CFD codes are general purpose Navier-Stokes solution packages that can solve integral conservation equations for conservation of mass, momentum and energy. The governing equations are discretized using a control-volume finite-element method on unstructured triangular 2-D grids. In the interest of time, a 3-D tetrahedral grid was used to check the 2-D results on one mixing strategy and the 2-D results were confirmed. Preliminary results indicate that excellent mixing can be achieved with a body placed in the center of the flowing hot fluid with a minor modification to the combustor wall similar to a model positioned in the test section of a wind tunnel. The concept here, is to create longitudinal vortices strong enough to bring both fluids into intimate contact with each other near the wall where the cold fluid resides. However, there may be a trade-off in the choice of mixing strategy, heat transfer and structural requirements. Currently, we are examining the more promising geometries for heat transfer concerns and developing strategies for the material of construction of the center body.

Loney, Norman W.↗

NASA NTRS2002

Incorporation of Condensation Heat Transfer in a Flow Network Code

Pure water is distilled from waste water in the International Space Station. The distillation assembly consists of an evaporator, a compressor and a condenser. Vapor is periodically purged from the condenser to avoid vapor accumulation. Purged vapor is condensed in a tube by coolant water prior to entering the purge pump. The paper presents a condensation model of purged vapor in a tube. This model is based on the Finite Volume Method. In the Finite Volume Method, the flow domain is discretized into multiple control volumes and a simultaneous analysis is performed.

Anthony, Miranda↗

NASA NTRSDate not supplied

Wall-Modeled Large Eddy Simulation Method for Unstructured-Grid Navier-Stokes Solvers

This paper reports on the implementation and assessment of a Wall-Modeled Large-Eddy Simulation (WMLES) methodology in an unstructured-grid, node-centered flow solver, FUN3D that is developed and supported at the NASA Langley Research Center. Finite-volume (FV) and finite-element (FE) discretization schemes considered in the study provide formal second-order spatial accuracy. Large-Eddy Simulations (LES) resolve large-scale turbulent-flow features and filter out small-scale effects using the Vreman subgrid-scale model. At solid-wall boundaries, a shear-stress model is employed to provide a proper boundary-flux closure. The nonlinear equations are integrated in time using either an optimized backward difference formula or an implicit multistage Runge-Kutta temporal scheme. The implicit equations at each time step are solved by strong nonlinear iteration schemes. WMLES demonstrations are shown for two high-lift configurations, namely, the McDonnell Douglas 30P30N multielement airfoil and a NASA High-Lift Common Research Model. Results show that the WMLES approaches implemented in the FV and FE discretization methods produce consistent solutions and are capable of capturing key aerodynamic characteristics and flow structures for high-lift configurations at a wide range of angles of attack including maximum-lift conditions. In the 30P30N example, correct trends in the variations of integrated aerodynamic forces and moments, surface pressure distributions, and boundary-layer profiles are captured as the Reynolds number is increased.

CFD; turbulence modeling; High-Lift flow simulatio↗

NASA NTRS1986

Numerical prediction of cold turbulent flow in combustor configurations with different centerbody flame holders

A numerical study of cold turbulent flow in a combustor containing a centerbody flame holder is presented. The axisymmetric Navier-Stokes equations incorporating a k-epsilon turbulence model were solved in a nonorthogonal curvilinear coordinate system. The finite volume method, applied to a staggered grid system, was used to discretize the differential equations. These finite differenced equations were then solved iteratively utilizing the SIMPLE algorithm described by Patankar (1980). Solutions were obtained for two combustor duct geometries with various centerbody flame holders which included a disk, a cone, and a sphere. The extent of mixing due to these bodies was evaluated. A comparison with previously obtained experimental data yielded moderately good agreement.

Yung, C. N.↗

NASA NTRS1998

Tetrahedral Finite-Volume Solutions to the Navier-Stokes Equations on Complex Configurations

A review of the algorithmic features and capabilities of the unstructured-grid flow solver USM3Dns is presented. This code, along with the tetrahedral grid generator, VGRIDns, is being extensively used throughout the U.S. for solving the Euler and Navier-Stokes equations on complex aerodynamic problems. Spatial discretization is accomplished by a tetrahedral cell-centered finite-volume formulation using Roe's upwind flux difference splitting. The fluxes are limited by either a Superbee or MinMod limiter. Solution reconstruction within the tetrahedral cells is accomplished with a simple, but novel, multidimensional analytical formula. Time is advanced by an implicit backward-Euler time-stepping scheme. Flow turbulence effects are modeled by the Spalart-Allmaras one-equation model, which is coupled with a wall function to reduce the number of cells in the near-wall region of the boundary layer. The issues of accuracy and robustness of USM3Dns Navier-Stokes capabilities are addressed for a flat-plate boundary layer, and a full F-16 aircraft with external stores at transonic speed.

Frink, Neal T.↗

NASA NTRS1998

Tetrahedral Finite-Volume Solutions to the Navier-Stokes Equations on Complex Configurations

Frink, N. T.↗

NASA NTRS1997

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

Several stabilized discretization procedures for conservation law equations on triangulated domains will be considered. Specifically, numerical schemes based on upwind finite volume, fluctuation splitting, Galerkin least-squares, and space discontinuous Galerkin discretization will be considered in detail. A standard energy analysis for several of these methods will be given via entropy symmetrization. Next, we will present some relatively new theoretical results concerning congruence relationships for left or right symmetrized equations. These results suggest new variants of existing FV, DG, GLS and FS methods which are computationally more efficient while retaining the pleasant theoretical properties achieved by entropy symmetrization. In addition, the task of Jacobian linearization of these schemes for use in Newton's method is greatly simplified owing to exploitation of exact symmetries which exist in the system. These variants have been implemented in the "ELF" library for which example calculations will be shown. The FV, FS and DG schemes also permit discrete maximum principle analysis and enforcement which greatly adds to the robustness of the methods. Some prevalent limiting strategies will be reviewed. Next, we consider embedding these nonlinear space discretizations into exact and inexact Newton solvers which are preconditioned using a nonoverlapping (Schur complement) domain decomposition technique. Elements of nonoverlapping domain decomposition for elliptic problems will be reviewed followed by the present extension to hyperbolic and elliptic-hyperbolic problems. Other issues of practical relevance such the meshing of geometries, code implementation, turbulence modeling, global convergence, etc. will be addressed as needed.

Barth, Timothy↗

NASA NTRS2016

First-Principles Modeling Of Electromagnetic Scattering By Discrete and Discretely Heterogeneous Random Media

A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell's equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell- Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell-Lorentz equations, we trace the development of the first principles formalism enabling accurate calculations of monochromatic and quasi-monochromatic scattering by static and randomly varying multiparticle groups. We illustrate how this general framework can be coupled with state-of-the-art computer solvers of the Maxwell equations and applied to direct modeling of electromagnetic scattering by representative random multi-particle groups with arbitrary packing densities. This first-principles modeling yields general physical insights unavailable with phenomenological approaches. We discuss how the first-order-scattering approximation, the radiative transfer theory, and the theory of weak localization of electromagnetic waves can be derived as immediate corollaries of the Maxwell equations for very specific and well-defined kinds of particulate medium. These recent developments confirm the mesoscopic origin of the radiative transfer, weak localization, and effective-medium regimes and help evaluate the numerical accuracy of widely used approximate modeling methodologies.

Michael I Mishchenko↗

DOE OSTI2024

Sequential formulation of all‐way coupled finite strain thermoporomechanics for largely deformable gas hydrate deposits

We develop a numerically stable sequential formulation of thermoporomechanics for largely deformable gas hydrate deposits, extended from the fixed stress split of infinitesimal transformation. Constitutive equations are based on the total Lagrangian approach for both flow and geomechanics, including dynamic full tensor permeability and thermal conductivity updated from the deformation gradient. For space discretization, we take the cell-centered finite volume and node-based finite element method for flow and geomechanics, respectively. Then, we propose a sequential implicit method for all-way coupled thermoporomechanics, where the nonisothermal multiphase flow problem of gas hydrates is solved implicitly first and then the geomechanics problem is solved implicitly at the next step. During solution of the flow problem, we fix the rate of first Pioal total stress for numerical stability as well as apply porosity correction and entropy correction to account for geomechanical effects. We test numerical examples where flow and geomechanics parameters are based on deep oceanic gas hydrate deposits. When applying depressurization, even though the results between the infinitesimal transformation and finite strain geomechanics are similar in the early stages due to small deformation, we find differences between them in the late times as deformation becomes large. Accordingly, permeability and thermal conductivity tensors become nonisotropic full tensors although they are initially isotropic. Furthermore, we identify numerical stability of the developed sequential method from the test cases that exhibit the highly complex coupled gas hydrate systems with large deformation. Thus, the proposed sequential formulation can be applied in largely deformable gas hydrate systems.

42 ENGINEERING↗

DOE OSTI2022

Study of recirculating liquid fuel in a 1D critical stationary system

Several studies have been conducted to investigate the physics of liquid fuel reactors, showing also applications with molten salts. A liquid nuclear fuel implies changes in the neutron balance equation to take into account the precursors' displacement and the emission of delayed neutrons in a different position than at the original fission. This requires to upgrade the computer codes normally used to calculate nuclear reactors using only solid fuel. In this work, we revisit a simple problem with liquid fuel, which is proposed for the verification of the numerical solutions obtained by advanced computer codes. This problem studies criticality with constant coefficients, thus neglecting thermal feedback. We elaborate on the analytical solution of the problem, deriving also a generalized eigenvalue problem by finite-volume integration over the cells of a discretized mesh to study the evolution of the dominance ratio with fuel velocity. Finally, we investigate the influence of the fuel velocity on the reactivity of the system. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1980

Forebody and base region real-gas flow in severe planetary entry by a factored implicit numerical method. I - Computational fluid dynamics

A new code for the simulation of full (forebody and base region) flowfields about bluff bodies in the hypersonic regime of severe planetary entry is described. The present 'maximally conservative, maximally differenced' formulation of the unsteady compressible Navier-Stokes equations for 2-D axisymmetric 3-D flow is contrasted for stability with previous formulations of Viviand, Kutler, et al, and Thomas and Lombard. Discrete metric relations peculiar to the axisymmetric finite volume formulation are presented along with a general discussion of their relations to and consequences of failure to close computational cells. A computational mesh of curvilinear coordinate topology singular in the flow regime is presented that permits aligned capturing of the major physical features of the complex flowfield.

Lombard, C. K.↗