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Sylvester-preconditioned adaptive-rank implicit time integrators for advection-diffusion equations with variable coefficients

Here, we consider the adaptive-rank integration of multi-dimensional time-dependent advection-diffusion partial differential equations (PDEs) with variable coefficients. We employ a standard finite-difference method for spatial discretization coupled with high-order diagonally implicit Runge-Kutta temporal schemes. The discrete equation is a generalized Sylvester equation (GSE), which we solve with a projection-based adaptive-rank algorithm structured around two key strategies: (i) constructing dimension-wise subspaces using a novel atypical extended Krylov strategy, and (ii) efficiently solving the basis coefficient matrix with a preconditioned GMRES solver. The low-rank decomposition is performed in 2D using SVD and with high-order SVD (HOSVD) in 3D to represent the tensor in a compressed Tucker format. For d-dimensional problems (here, d = 2 or 3), the computational complexity and memory storage of the approach are found numerically to scale as and $\mathscr{O}(Nr^2) + \mathscr{O} (r^{d+1})$ and $\mathscr{O}(Nr) + \mathscr{O} (r^{d})$, respectively, with the one-dimensional resolution and the maximal rank during the Krylov iteration (which we find to be largely independent of on our numerical examples). We present numerical examples that illustrate the advertised properties of the algorithm.

97 MATHEMATICS AND COMPUTING↗

Validation of a High-Order Prefactored Compact Code on Nonlinear Flows with Complex Geometries

A finite-difference time domain solution of the airfoil gust problem is obtained using a high-accuracy nonlinear computational aeroacoustics code. For computational efficiency, the equations are cast in chain-rule curvilinear form, and a structured multiblock solver is used in parallel. In order to fully investigate the performance of this solver, a test matrix of eight problems are computed (two airfoil geometries, two gust frequencies, and two gust configurations). These results are compared to solutions obtained by the GUST3D frequency-domain solver both on the airfoil surface and in the far field. Grid density and domain size studies are included.

Hixon, R.↗

High-order dimensionally-split Cartesian embedded boundary method for non-dissipative schemes

Centered finite-difference schemes are commonly used for high-fidelity turbulent flow simulations in canonical configurations because of their non-dissipative property and computational efficiency. However, their use in flow simulations over complex geometries is limited by the requirements of a structured grid and a stable boundary treatment in the absence of artificial (numerical) dissipation. Cartesian embedded boundary (EB) approaches provide an efficient structured-grid framework to apply difference schemes over complex domains. However, they are often restricted to low orders of accuracy because of numerical instabilities at the embedded boundaries and the issues of small-cell problem that are difficult to address with high-order accuracy. The present work discusses a systematic approach to obtain high-order EB methods with non-dissipative centered schemes in the interior. This approach, based on satisfying the primary and secondary conservation conditions, is employed to derive EB schemes that are up to sixth-order accurate in the interior and fourth-order accurate globally for hyperbolic, parabolic as well as incompletely parabolic problems. The proposed finite-difference discretization is, by construction, dimensionally split and addresses the small-cell problem without any cell/geometry transformations, thus, highly simplifying implementation in a flow solver. Various linear and non-linear numerical tests are performed to evaluate the stability and the accuracy of the proposed EB schemes.

97 MATHEMATICS AND COMPUTING↗

Effects of spatial order of accuracy on the computation of vortical flowfields

The effect of the order-of-accuracy, used for the spatial discretization, on the resolution of the leading edge vortices over sharp-edged delta wings is investigated. The flowfield is computed using a viscous/inviscid zonal approach. The viscous flow in the vicinity of the wing is computed using the conservative formulation of the compressible, thin-layer Navier-Stokes equations. The leeward-side vortical flowfield and the other flow regions away from the surface are computed as inviscid. The time integration is performed with both an explicit fourth-order Runge-Kutta scheme and an implicit, factorized, iterative scheme. High-order-accurate inviscid fluxes are computed using both a conservative and a non-conservative (primitive variable) formulation. The nonlinear, inviscid terms of the primitive variable form of the governing equations are evaluated with a finite-difference numerical scheme based on the sign of the eigenvalues. High-order, upwind-biased, finite difference formulas are used to evaluate the derivatives of the nonlinear convective terms. Computed results are compared with available experimental data, and comparisons of the flowfield in the vicinity of the vortex cores are presented.

Ekaterinaris, J. A.↗

A High-Order Direct Solver for Helmholtz Equations with Neumann Boundary Conditions

In this study, a compact finite-difference discretization is first developed for Helmholtz equations on rectangular domains. Special treatments are then introduced for Neumann and Neumann-Dirichlet boundary conditions to achieve accuracy and separability. Finally, a Fast Fourier Transform (FFT) based technique is used to yield a fast direct solver. Analytical and experimental results show this newly proposed solver is comparable to the conventional second-order elliptic solver when accuracy is not a primary concern, and is significantly faster than that of the conventional solver if a highly accurate solution is required. In addition, this newly proposed fourth order Helmholtz solver is parallel in nature. It is readily available for parallel and distributed computers. The compact scheme introduced in this study is likely extendible for sixth-order accurate algorithms and for more general elliptic equations.

Sun, Xian-He↗

Parallel solution of high-order numerical schemes for solving incompressible flows

A new parallel numerical scheme for solving incompressible steady-state flows is presented. The algorithm uses a finite-difference approach to solving the Navier-Stokes equations. The algorithms are scalable and expandable. They may be used with only two processors or with as many processors as are available. The code is general and expandable. Any size grid may be used. Four processors of the NASA LeRC Hypercluster were used to solve for steady-state flow in a driven square cavity. The Hypercluster was configured in a distributed-memory, hypercube-like architecture. By using a 50-by-50 finite-difference solution grid, an efficiency of 74 percent (a speedup of 2.96) was obtained.

Milner, Edward J.↗

Discontinuous Spectral Difference Method for Conservation Laws on Unstructured Grids

A new, high-order, conservative, and efficient discontinuous spectral finite difference (SD) method for conservation laws on unstructured grids is developed. The concept of discontinuous and high-order local representations to achieve conservation and high accuracy is utilized in a manner similar to the Discontinuous Galerkin (DG) and the Spectral Volume (SV) methods, but while these methods are based on the integrated forms of the equations, the new method is based on the differential form to attain a simpler formulation and higher efficiency. Conventional unstructured finite-difference and finite-volume methods require data reconstruction based on the least-squares formulation using neighboring point or cell data. Since each unknown employs a different stencil, one must repeat the least-squares inversion for every point or cell at each time step, or to store the inversion coefficients. In a high-order, three-dimensional computation, the former would involve impractically large CPU time, while for the latter the memory requirement becomes prohibitive. In addition, the finite-difference method does not satisfy the integral conservation in general. By contrast, the DG and SV methods employ a local, universal reconstruction of a given order of accuracy in each cell in terms of internally defined conservative unknowns. Since the solution is discontinuous across cell boundaries, a Riemann solver is necessary to evaluate boundary flux terms and maintain conservation. In the DG method, a Galerkin finite-element method is employed to update the nodal unknowns within each cell. This requires the inversion of a mass matrix, and the use of quadratures of twice the order of accuracy of the reconstruction to evaluate the surface integrals and additional volume integrals for nonlinear flux functions. In the SV method, the integral conservation law is used to update volume averages over subcells defined by a geometrically similar partition of each grid cell. As the order of accuracy increases, the partitioning for 3D requires the introduction of a large number of parameters, whose optimization to achieve convergence becomes increasingly more difficult. Also, the number of interior facets required to subdivide non-planar faces, and the additional increase in the number of quadrature points for each facet, increases the computational cost greatly.

Liu, Yen↗

Numerical simulation of entry flow over blunt swept-wing planes

Viscous, heat-conducting flow with chemical and vibrational relaxation processes of the constituent gases surrounding winged spacecraft is considered in the continuum regime. The Navier-Stokes equations are appended by additional vibrational energy and species rate equations and supplemented by the equations of state and the phenomenological laws based on mixture rules or collisional cross sections. Numerical convective flux can be obtained from several forms of one-dimensional Riemann solver, with or without entropy correction. High-order accuracy is obtained from two types of reconstructive interpolation. A number of explicit and implicit numerical schemes have been implemented as a means to yield converged solutions. Both shock-fitting, finite-difference and shock-capturing, finite-volume techniques have been tested for configurations such as a sphere, double ellipsoid, blunt-edge delta wing, a European Hermes vehicle, and the U.S. Shuttle Orbiter. The shock-fitting code provides excellent results only for simple configurations, whereas the shock-capturing code leads to overall satisfying solutions for complex geometries.

Li, C. P.↗

Photochemically Induced Acousto-optics Fluid Simulations

PIAFS is a finite-difference code to solve the compressible Navier-Stokes equations with chemical heating on Cartesian grids. It models chemical reactions of air (oxygen and carbon dioxide) with ozone subject to radiation. It uses a high-order WENO spatial discretization and explicit Runge-Kutta time integration. It is capable of parallel simulations using MPI. The code is written in C/C++.

Oudin, AlbertineN [Lawrence Livermore National Lab↗

Conservative high-order-accurate finite-difference methods for curvilinear grids

Two fourth-order-accurate finite-difference methods for numerically solving hyperbolic systems of conservation equations on smooth curvilinear grids are presented. The first method uses the differential form of the conservation equations; the second method uses the integral form of the conservation equations. Modifications to these schemes, which are required near boundaries to maintain overall high-order accuracy, are discussed. An analysis that demonstrates the stability of the modified schemes is also provided. Modifications to one of the schemes to make it total variation diminishing (TVD) are also discussed. Results that demonstrate the high-order accuracy of both schemes are included in the paper. In particular, a Ringleb-flow computation demonstrates the high-order accuracy and the stability of the boundary and near-boundary procedures. A second computation of supersonic flow over a cylinder demonstrates the shock-capturing capability of the TVD methodology. An important contribution of this paper is the dear demonstration that higher order accuracy leads to increased computational efficiency.

Rai, Man M.↗

A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part I: Model Formulation

Here, this paper formulates a new particle-in-cell method for the Vlasov–Maxwell system. Under the Lorenz gauge condition, Maxwell’s equations for the electromagnetic fields can be written as a collection of scalar and vector wave equations. The use of potentials for the fields motivates the adoption of a Hamiltonian formulation for particles that employs the generalized (conjugate) momentum. A notable advantage offered by the Hamiltonian formulation is the elimination of time derivatives in the Lorenz gauge formulation that are required by the standard Newton–Lorentz treatment of the particles. This allows the fields to retain the full time-accuracy guaranteed by the field solver. The resulting updates for particles require only knowledge of the fields and their spatial derivatives. An analytical method for constructing these spatial derivatives is presented that exploits the underlying integral solution used in the field solver for the wave equations. Moreover, these derivatives are demonstrated to converge at the same rate as the fields in both time and space. The Method of Lines Transpose field solver we consider in this work is globally first-order accurate in time and high-order accurate in space (e.g., fourth- and fifth-order) and belongs to a larger class of methods which are unconditionally stable, can address geometry, and leverage $\mathcal {O}(N)$ fast summation methods for efficiency. We demonstrate the method on several well-established benchmark problems on bounded domains, including a plasma sheath as well as a relativistic particle beam. The efficacy of the proposed formulation is established by comparing with a second-order accurate finite-difference time-domain method that employs a leapfrog time advance for particles and a charge conserving map suitable for bounded domains. The new method shows mesh-independent numerical heating properties even in cases where the plasma Debye length is smaller than the grid spacing. This is an important feature of the new method for problems defined on bounded domains, because it permits the use of coarser grids in space in the representation of the fields. Such a capability has significant implications for the simulation of plasmas in bounded domains with complex geometry, where the ratio between the largest and smallest cells can vary significantly. The use of high-order spatial approximations in the new method also means that fewer grid points are required in order to achieve a fixed accuracy. Our results also suggest that the new method can be used with fewer simulation particles per cell compared to the benchmark explicit method, which permits further computational savings.

97 MATHEMATICS AND COMPUTING↗

A Highly Accurate Technique for the Treatment of Flow Equations at the Polar Axis in Cylindrical Coordinates using Series Expansions

Numerical methods for solving the flow equations in cylindrical or spherical coordinates should be able to capture the behavior of the exact solution near the regions where the particular form of the governing equations is singular. In this work we focus on the treatment of these numerical singularities for finite-differences methods by reinterpreting the regularity conditions developed in the context of pseudo-spectral methods. A generally applicable numerical method for treating the singularities present at the polar axis, when nonaxisymmetric flows are solved in cylindrical, coordinates using highly accurate finite differences schemes (e.g., Pade schemes) on non-staggered grids, is presented. Governing equations for the flow at the polar axis are derived using series expansions near r=0. The only information needed to calculate the coefficients in these equations are the values of the flow variables and their radial derivatives at the previous iteration (or time) level. These derivatives, which are multi-valued at the polar axis, are calculated without dropping the accuracy of the numerical method using a mapping of the flow domain from (0,R)*(0,2pi) to (-R,R)*(0,pi), where R is the radius of the computational domain. This allows the radial derivatives to be evaluated using high-order differencing schemes (e.g., compact schemes) at points located on the polar axis. The proposed technique is illustrated by results from simulations of laminar-forced jets and turbulent compressible jets using large eddy simulation (LES) methods. In term of the general robustness of the numerical method and smoothness of the solution close to the polar axis, the present results compare very favorably to similar calculations in which the equations are solved in Cartesian coordinates at the polar axis, or in which the singularity is removed by employing a staggered mesh in the radial direction without a mesh point at r=0, following the method proposed recently by Mohseni and Colonius (1). Extension of the method described here for incompressible flows or for any other set of equations that are solved on a non-staggered mesh in cylindrical or spherical coordinates with finite-differences schemes of various level of accuracy is immediate.

Constantinescu, George S.↗

Navier-Stokes simulations of blade-vortex interaction using high-order accurate upwind schemes

Conventional, spatially second-order-accurate, finite-difference schemes are much too dissipative for calculations involving vortices that travel large distances (relative to some measure of the size of the vortex). This study presents a fifth-order-accurate upwind-biased scheme that preserves vortex structure for much longer times than existing second-order-accurate central and upwind difference schemes. Vortex calculations demonstrating this aspect of the fifth-order scheme are also presented. The method is then applied to the blade-vortex interaction problem. Results for strong interactions wherein the vortex impinges directly on the airfoil or a shock associated with the airfoil are presented. None of these calculations required any modeling of the shape, size, and trajectory of the interacting vortex.

Rai, Man Mohan↗

The piecewise-linear predictor-corrector code - A Lagrangian-remap method for astrophysical flows

We describe a time-explicit finite-difference algorithm for solving the nonlinear fluid equations. The method is similar to existing Eulerian schemes in its use of operator-splitting and artificial viscosity, except that we solve the Lagrangian equations of motion with a predictor-corrector and then remap onto a fixed Eulerian grid. The remap is formulated to eliminate errors associated with coordinate singularities, with a general prescription for remaps of arbitrary order. We perform a comprehensive series of tests on standard problems. Self-convergence tests show that the code has a second-order rate of convergence in smooth, two-dimensional flow, with pressure forces, gravity, and curvilinear geometry included. While not as accurate on idealized problems as high-order Riemann-solving schemes, the predictor-corrector Lagrangian-remap code has great flexibility for application to a variety of astrophysical problems.

Lufkin, Eric A.↗

Computation of Nonlinear Backscattering Using a High-Order Numerical Method

The nonlinear Schrodinger equation (NLS) is the standard model for propagation of intense laser beams in Kerr media. The NLS is derived from the nonlinear Helmholtz equation (NLH) by employing the paraxial approximation and neglecting the backscattered waves. In this study we use a fourth-order finite-difference method supplemented by special two-way artificial boundary conditions (ABCs) to solve the NLH as a boundary value problem. Our numerical methodology allows for a direct comparison of the NLH and NLS models and for an accurate quantitative assessment of the backscattered signal.

Fibich, G.↗

Three-Dimensional High-Order Spectral Finite Volume Method for Unstructured Grids

Many areas require a very high-order accurate numerical solution of conservation laws for complex shapes. This paper deals with the extension to three dimensions of the Spectral Finite Volume (SV) method for unstructured grids, which was developed to solve such problems. We first summarize the limitations of traditional methods such as finite-difference, and finite-volume for both structured and unstructured grids. We then describe the basic formulation of the spectral finite volume method. What distinguishes the SV method from conventional high-order finite-volume methods for unstructured triangular or tetrahedral grids is the data reconstruction. Instead of using a large stencil of neighboring cells to perform a high-order reconstruction, the stencil is constructed by partitioning each grid cell, called a spectral volume (SV), into 'structured' sub-cells, called control volumes (CVs). One can show that if all the SV cells are partitioned into polygonal or polyhedral CV sub-cells in a geometrically similar manner, the reconstructions for all the SVs become universal, irrespective of their shapes, sizes, orientations, or locations. It follows that the reconstruction is reduced to a weighted sum of unknowns involving just a few simple adds and multiplies, and those weights are universal and can be pre-determined once for all. The method is thus very efficient, accurate, and yet geometrically flexible. The most critical part of the SV method is the partitioning of the SV into CVs. In this paper we present the partitioning of a tetrahedral SV into polyhedral CVs with one free parameter for polynomial reconstructions up to degree of precision five. (Note that the order of accuracy of the method is one order higher than the reconstruction degree of precision.) The free parameter will be determined by minimizing the Lebesgue constant of the reconstruction matrix or similar criteria to obtain optimized partitions. The details of an efficient, parallelizable code to solve three-dimensional problems for any order of accuracy are then presented. Important aspects of the data structure are discussed. Comparisons with the Discontinuous Galerkin (DG) method are made. Numerical examples for wave propagation problems are presented.

Liu, Yen↗

Multi-Dimensional Spectral Difference Method for Unstructured Grids

A new, high-order, conservative, and efficient method for conservation laws on unstructured grids is developed. It combines the best features of structured and unstructured grid methods to attain computational efficiency and geometric flexibility; it utilizes the concept of discontinuous and high-order local representations to achieve conservation and high accuracy; and it is based on the finite-difference formulation for simplicity. Universal reconstructions are obtained by distributing unknowns in a geometrically similar manner for all unstructured cells. Placements of the unknown and flux points with various order of accuracy are given for the line, triangular and tetrahedral elements. The data structure of the new method permits an optimum use of cache memory, resulting in further computational efficiency on modern computers. A new pointer system is developed that reduces memory requirements and simplifies programming for any order of accuracy. Numerical solutions are presented and compared with the exact solutions for wave propagation problems in both two and three dimensions to demonstrate the capability of the method. Excellent agreement has been found. The method is simpler and more efficient than previous discontinuous Galerkin and spectral volume methods for unstructured grids.

Liu, Yen↗

High-Order Entropy Stable Formulations for Computational Fluid Dynamics

A systematic approach is presented for developing entropy stable (SS) formulations of any order for the Navier-Stokes equations. These SS formulations discretely conserve mass, momentum, energy and satisfy a mathematical entropy inequality. They are valid for smooth as well as discontinuous flows provided sufficient dissipation is added at shocks and discontinuities. Entropy stable formulations exist for all diagonal norm, summation-by-parts (SBP) operators, including all centered finite-difference operators, Legendre collocation finite-element operators, and certain finite-volume operators. Examples are presented using various entropy stable formulations that demonstrate the current state-of-the-art of these schemes.

Carpenter, Mark H.↗