A high-order discontinuous Galerkin method for wave propagation through coupled elastic–acoustic media

We introduce a high-order discontinuous Galerkin (dG) scheme for the numerical solution of three-dimensional (3D) wave propagation problems in coupled elastic–acoustic media. A velocity–strain formulation is used, which allows for the solution of the acoustic and elastic wave equations within the same unified framework. Careful attention is directed at the derivation of a numerical flux that preserves high-order accuracy in the presence of material discontinuities, including elastic–acoustic interfaces. Explicit expressions for the 3D upwind numerical flux, derived as an exact solution for the relevant Riemann problem, are provided. The method supports h-non-conforming meshes, which are particularly effective at allowing local adaptation of the mesh size to resolve strong contrasts in the local wavelength, as well as dynamic adaptivity to track solution features. The use of high-order elements controls numerical dispersion, enabling propagation over many wave periods. We prove consistency and stability of the proposed dG scheme. To study the numerical accuracy and convergence of the proposed method, we compare against analytical solutions for wave propagation problems with interfaces, including Rayleigh, Lamb, Scholte, and Stoneley waves as well as plane waves impinging on an elastic–acoustic interface. Spectral rates of convergence are demonstrated for these problems, which include a non-conforming mesh case. Finally, we present scalability results for a parallel implementation of the proposed high-order dG scheme for large-scale seismic wave propagation in a simplified earth model, demonstrating high parallel efficiency for strong scaling to the full size of the Jaguar Cray XT5 supercomputer.     

The mimetic finite difference method for the 3D magnetostatic field problems on polyhedral meshes

We extend the mimetic finite difference (MFD) method to the numerical treatment of magnetostatic fields problems in mixed div–curl form for the divergence-free magnetic vector potential. To accomplish this task, we introduce three sets of degrees of freedom that are attached to the vertices, the edges, and the faces of the mesh, and two discrete operators mimicking the curl and the gradient operator of the differential setting. Then, we present the construction of two suitable quadrature rules for the numerical discretization of the domain integrals of the div–curl variational formulation of the magnetostatic equations. This construction is based on an algebraic consistency condition that generalizes the usual construction of the inner products of the MFD method. We also discuss the linear algebraic form of the resulting MFD scheme, its practical implementation, and discuss existence and uniqueness of the numerical solution by generalizing the concept of logically rectangular or cubic meshes by Hyman and Shashkov to the case of unstructured polyhedral meshes. The accuracy of the method is illustrated by solving numerically a set of academic problems and a realistic engineering problem.     

Adjoint-based error estimation and adaptive mesh refinement for the RANS and k–ω turbulence model equations

In this article we present the extension of the a posteriori error estimation and goal-oriented mesh refinement approach from laminar to turbulent flows, which are governed by the Reynolds-averaged Navier–Stokes and k–ω turbulence model (RANS-kω) equations. In particular, we consider a discontinuous Galerkin discretization of the RANS-kω equations and use it within an adjoint-based error estimation and adaptive mesh refinement algorithm that targets the reduction of the discretization error in single as well as in multiple aerodynamic force coefficients. The accuracy of the error estimation and the performance of the goal-oriented mesh refinement algorithm is demonstrated for various test cases, including a two-dimensional turbulent flow around a three-element high lift configuration and a three-dimensional turbulent flow around a wing-body configuration.     

Two-level discretizations of nonlinear closure models for proper orthogonal decomposition

Proper orthogonal decomposition has been successfully used in the reduced-order modeling of complex systems. Its original promise of computationally efficient, yet accurate approximation of coherent structures in high Reynolds number turbulent flows, however, still remains to be fulfilled. To balance the low computational cost required by reduced-order modeling and the complexity of the targeted flows, appropriate closure modeling strategies need to be employed. Since modern closure models for turbulent flows are generally nonlinear, their efficient numerical discretization within a proper orthogonal decomposition framework is challenging. This paper proposes a two-level method for an efficient and accurate numerical discretization of general nonlinear closure models for proper orthogonal decomposition reduced-order models. The two-level method computes the nonlinear terms of the reduced-order model on a coarse mesh. Compared with a brute force computational approach in which the nonlinear terms are evaluated on the fine mesh at each time step, the two-level method attains the same level of accuracy while dramatically reducing the computational cost. We numerically illustrate these improvements in the two-level method by using it in three settings: the one-dimensional Burgers equation with a small diffusion parameter ν = 10^?3, the two-dimensional flow past a cylinder at Reynolds number Re = 200, and the three-dimensional flow past a cylinder at Reynolds number Re = 1000.     

Efficient numerical methods for multiple surfactant-coated bubbles in a two-dimensional stokes flow

We present efficient and highly accurate numerical methods to compute the deformation of surfactant-coated, two-dimensional bubbles in a slow viscous flow. Surfactant acts to locally alter the surface tension and thereby change the nature of the interface motion. In this paper, we restrict our attention to the case of a dilute insoluble surfactant. The convection–diffusion equation for the surfactant concentration on the interface is coupled with the Stokes equations in the fluid domain through a boundary condition based on the Laplace-Young condition. The Stokes equations are first recast as an integral equation and then solved using a fast-multipole accelerated iterative procedure. The computational cost per time-step is only O(N log N) operations, with N being the number of discretization points on the interface. The bubble interfaces are described by a spectral mesh and is advected according to the fluid velocity in such a manner so as to preserve equal arc length spacing of marker points. This equal arc length framework has the dual advantage of dynamically maintaining the spatial mesh and allowing efficient, implicit treatment of the stiffest terms in the dynamics. Several phenomenologically different examples are presented.     

An efficient local time-stepping scheme for solution of nonlinear conservation laws

We develop an efficient local time-stepping algorithm for the method of lines approach to numerical solution of transient partial differential equations. The need for local time-stepping arises when adaptive mesh refinement results in a mesh containing cells of greatly different sizes. The global CFL number and, hence, the global time step, are defined by the smallest cell size. This can be inefficient as a few small cells may impose a restrictive time step on the whole mesh. A local time-stepping scheme allows us to use the local CFL number which reduces the total number of function evaluations. The algorithm is based on a second order Runge–Kutta time integration. Its important features are a small stencil and the second order accuracy in the L² and L^∞ norms.     

Variational multiscale element-free Galerkin method for 2D Burgers’ equation

A new numerical method, which is based on the coupling between variational multiscale method and meshfree methods, is developed for 2D Burgers’ equation with various values of Re. The proposed method takes full advantage of meshfree methods, therefore, no mesh generation and mesh recreation are involved. Meanwhile, compared with the variational multiscale finite element method, a strong assumption, that is, the fine scale vanishes identically over the element boundaries although non-zero within the elements, is not needed. Subsequently two problems which have an available analytical solution of their own are solved to analyze the convergence behaviour of the proposed method. Finally a 2D Burgers’ equation having large Re is solved and the results have also been compared with the ones computed by two other methods. The numerical results show that the proposed method can indeed obtain accurate numerical results for 2D Burgers’ equation having large Re, which does not refer to the choice of a proper stabilization parameter.     

Modeling and computation of two phase geometric biomembranes using surface finite elements

Biomembranes consisting of multiple lipids may involve phase separation phenomena leading to coexisting domains of different lipid compositions. The modeling of such biomembranes involves an elastic or bending energy together with a line energy associated with the phase interfaces. This leads to a free boundary problem for the phase interface on the unknown equilibrium surface which minimizes an energy functional subject to volume and area constraints. In this paper we propose a new computational tool for computing equilibria based on an L² relaxation flow for the total energy in which the line energy is approximated by a surface Ginzburg–Landau phase field functional. The relaxation dynamics couple a nonlinear fourth order geometric evolution equation of Willmore flow type for the membrane with a surface Allen–Cahn equation describing the lateral decomposition. A novel system is derived involving second order elliptic operators where the field variables are the positions of material points of the surface, the mean curvature vector and the surface phase field function. The resulting variational formulation uses H¹ spaces, and we employ triangulated surfaces and H¹ conforming quadratic surface finite elements for approximating solutions. Together with a semi-implicit time discretization of the evolution equations an iterative scheme is obtained essentially requiring linear solvers only. Numerical experiments are presented which exhibit convergence and the power of this new method for two component geometric biomembranes by computing equilibria such as dumbbells, discocytes and starfishes with lateral phase separation.     

Accurate computation of Stokes flow driven by an open immersed interface

We present numerical methods for computing two-dimensional Stokes flow driven by forces singularly supported along an open, immersed interface. Two second-order accurate methods are developed: one for accurately evaluating boundary integral solutions at a point, and another for computing Stokes solution values on a rectangular mesh. We first describe a method for computing singular or nearly singular integrals, such as a double layer potential due to sources on a curve in the plane, evaluated at a point on or near the curve. To improve accuracy of the numerical quadrature, we add corrections for the errors arising from discretization, which are found by asymptotic analysis. When used to solve the Stokes equations with sources on an open, immersed interface, the method generates second-order approximations, for both the pressure and the velocity, and preserves the jumps in the solutions and their derivatives across the boundary. We then combine the method with a mesh-based solver to yield a hybrid method for computing Stokes solutions at N² grid points on a rectangular grid. Numerical results are presented which exhibit second-order accuracy. To demonstrate the applicability of the method, we use the method to simulate fluid dynamics induced by the beating motion of a cilium. The method preserves the sharp jumps in the Stokes solution and their derivatives across the immersed boundary. Model results illustrate the distinct hydrodynamic effects generated by the effective stroke and by the recovery stroke of the ciliary beat cycle.     

Inclusive photoproduction of polarized 3P1 quarkonium

We analyse inclusive photoproduction of polarized ³P₁ quarkonium in the framework of QCD. To separate non-perturbative and perturbative parts in the density matrix of the produced quarkonium we use a method, which is equivalent to the diagrammatic expansion widely used in analyzing deeply inelastic scattering. A systematic expansion in a small velocity v, with which a heavy quark moves inside the quarkonium in its rest frame, is performed for the non-perturbative parts, and they are expressed as matrix elements in non-relativistic QCD. At the leading order of v there are four matrix elements representing non-perturbative physics. The perturbative parts are calculated at the leading order of coupling constants. Some numerical results, especially numerical results for HERA, are given.     

FDTD algorithm for computing the off-plane band structure in a two-dimensional photonic crystal with dielectric or metallic inclusions

An effective numerical method based on the finite-difference time-domain scheme for computing the off-plane band structure of a two-dimensional photonic crystal is presented. The method is an order N method, and requires only a two-dimensional discretization mesh for a given off-plane wave number k_z although the off-plane propagation is a three-dimensional problem. The computation time and memory required is thus reduced significantly. The present method can be used for any type of inclusions and no additional effort is needed for metallic inclusions. The off-plane band structures of a square lattice of metallic rods in the air are studied, and a complete bandgap for some nonzero off-plane wave number k_z is found.     

Wavelet based ILU preconditioners for the numerical solution by PUFEM of high frequency elastic wave scattering

Daubechies family of wavelets combined to the Incomplete Lower–Upper (ILU) factorization are considered as preconditioners for a block sparse linear system arising from the approximation of the time harmonic elastic wave equations by the Partition of Unity Finite Element Method (PUFEM). After applying the discrete wavelet transform (DWT) to each dense block in the final matrix and the known right-hand side, due to the local enrichment by pressure (P) and shear (S) plane waves, the resulting linear system is solved by the restarted Generalized Minimum RESidual method (GMRES) with ILU preconditioners allowing fill-in elements in the L and U matrix factors. A reordering algorithm of the vertices based on Gibbs method is also introduced. It leads to a significant reduction of the bandwidth of the wave based Finite Element (FE) matrix and enables the ILU preconditioners to be more effective. To study the performance of the proposed preconditioners, a problem of a horizontal S plane wave scattered by a rigid circular body in an infinite elastic medium is considered. The numerical tests show the good performance of the DWT based ILU preconditioners in improving the rate of convergence of GMRES, for high numbers of approximating P and S plane waves, on coarse mesh grids containing multi-wavelength sized elements. Moreover, the Haar DWT enhances the scalability with respect to the problem size, when the number of the nodal points increases, of the ILU preconditioner which uses the threshold strategy in the control of the fill-in elements. Despite the high level of the conditioning, a good accuracy may be achieved for a discretization level of around 1.9 degrees of freedom per S wavelength, which is far below the rule of thumb of 10 nodal points per wavelength, adopted for the conventional FE.     

A variational adiabatic hyperspherical finite element R matrix methodology: general formalism and application to H + H2 reaction

The aim of this paper is to present an efficient numerical procedure for the theoretical study of bimolecular reactions. It is based on the R matrix variational formalism and the p-version of the finite element method (p-FEM) for expanding the wave function in a finite basis set, and facilitates the development of an efficient algorithm to invert matrices that significantly reduces the computational time in R matrix calculations. We also utilise the self-consistent finite element method to optimise the elements mesh and provide faster convergence of results. We apply our methodology to the study of the collinear H + H₂ process and evaluate its efficiency by comparing our results with several results previously published in the literature.     

A bubble-stabilized least-squares finite element method for steady MHD duct flow problems at high Hartmann numbers

In this paper we devise a stabilized least-squares finite element method using the residual-free bubbles for solving the governing equations of steady magnetohydrodynamic duct flow. We convert the original system of second-order partial differential equations into a first-order system formulation by introducing two additional variables. Then the least-squares finite element method using C⁰$C^0$ linear elements enriched with the residual-free bubble functions for all unknowns is applied to obtain approximations to the first-order system. The most advantageous features of this approach are that the resulting linear system is symmetric and positive definite, and it is capable of resolving high gradients near the layer regions without refining the mesh. Thus, this approach is possible to obtain approximations consistent with the physical configuration of the problem even for high values of the Hartmann number. Before incoorperating the bubble functions into the global problem, we apply the Galerkin least-squares method to approximate the bubble functions that are exact solutions of the corresponding local problems on elements. Therefore, we indeed introduce a two-level finite element method consisting of a mesh for discretization and a submesh for approximating the computations of the residual-free bubble functions. Numerical results confirming theoretical findings are presented for several examples including the Shercliff problem.     

Entropy viscosity method for nonlinear conservation laws

A new class of high-order numerical methods for approximating nonlinear conservation laws is described (entropy viscosity method). The novelty is that a nonlinear viscosity based on the local size of an entropy production is added to the numerical discretization at hand. This new approach does not use any flux or slope limiters, applies to equations or systems supplemented with one or more entropy inequalities and does not depend on the mesh type and polynomial approximation. Various benchmark problems are solved with finite elements, spectral elements and Fourier series to illustrate the capability of the proposed method.     

Error estimation and anisotropic mesh refinement for 3d laminar aerodynamic flow simulations

This article considers a posteriori error estimation and anisotropic mesh refinement for three-dimensional laminar aerodynamic flow simulations. The optimal order symmetric interior penalty discontinuous Galerkin discretization which has previously been developed for the compressible Navier–Stokes equations in two dimensions is extended to three dimensions. Symmetry boundary conditions are given which allow to discretize and compute symmetric flows on the half model resulting in exactly the same flow solutions as if computed on the full model. Using duality arguments, an error estimation is derived for estimating the discretization error with respect to the aerodynamic force coefficients. Furthermore, residual-based indicators as well as adjoint-based indicators for goal-oriented refinement are derived. These refinement indicators are combined with anisotropy indicators which are particularly suited to the discontinuous Galerkin (DG) discretization. Two different approaches based on either a heuristic criterion or an anisotropic extension of the adjoint-based error estimation are presented. The performance of the proposed discretization, error estimation and adaptive mesh refinement algorithms is demonstrated for 3d aerodynamic flows.     

Heuristic a posteriori estimation of error due to dissipation in finite volume schemes and application to mesh adaptation

A heuristic method is proposed to estimate a posteriori that part of the total discretization error which is attributable to the smoothing effect of added dissipation, for finite volume discretizations of the Euler equations. This is achieved by observing variation in a functional of the solution as the level of dissipation is varied, and it is deduced for certain test-cases that the dissipation alone accounts for the majority of the functional error. Based on this result an error estimator and mesh adaptation indicator is proposed for functionals, relying on the solution of an adjoint problem. The scheme is considerably implementationally simpler and computationally cheaper than other recently proposed a posteriori error estimators for finite volume schemes, but does not account for all sources of error. In mind of this, emphasis is placed on numerical evaluation of the performance of the indicator, and it is shown to be extremely effective in both estimating and reducing error for a range of 2d and 3d flows.     

Scattering solutions to non-local Hamiltonians in terms of generalized Bessel-Neumann series

We develop and test a method for the numerical solution of partial-wave scattering equations with partially non-local potentials, as arising in microscopic theories of the nucleus-nucleus interaction. The method is complementary to the usual Robertson discretization in that the amount of computation required decreases with increasing energy. It is based on a Bessel-Neumann expansion of the x-space scattering wave function and on its analogue for Coulomb functions. As a by-product, we obtain a new, general representation of the half-off-shell t-matrix and discuss the class of special functions arising in this context.