Discontinuous Galerkin Spectral Element Method Research Articles

CADET-Julia: Efficient and versatile, open-source simulator for batch chromatography in Julia

This study introduces CADET-Julia, an open-source, versatile and fast chromatography solver implemented in the Julia programming language. The software offers a platform for rapid prototyping and numerical refinement for a range of chromatography models, including the general rate model (GRM). The interstitial column mass balance was spatially discretized using a strong-form discontinuous Galerkin spectral element method (DGSEM) whereas a generalized spatial Galerkin spectral method (GSM) was applied for the particle mass balance. Three different benchmarks showcased the computational efficiency of CADET-Julia: A baseline benchmark was established by comparing the Julia implementation to a C++ implementation that employed the same mathematical methods and time integrator (CADET-DG). Various Julia time integrators were tested, and with the best-performing settings, the Julia implementation was benchmarked against CADET-DG and a finite volume (FV) based implementation in C++ (CADET-FV). Overall, Julia implementations performed better than C++ implementations and Galerkin methods were generally superior to finite volumes.

Energy bounds for discontinuous Galerkin spectral element approximations of well-posed overset grid problems for hyperbolic systems

We show that even though the Discontinuous Galerkin Spectral Element Method is stable for hyperbolic boundary-value problems, and the overset domain problem is well-posed in an appropriate norm, the energy of the approximation of the latter is bounded by data only for fixed polynomial order, mesh, and time. In the absence of dissipation, coupling of the overlapping domains is destabilizing by allowing positive eigenvalues in the system to be integrated in time. This coupling can be stabilized in one space dimension by using the upwind numerical flux. To help provide additional dissipation, we introduce a novel penalty method that applies dissipation at arbitrary points within the overlap region and depends only on the difference between the solutions. We present numerical experiments in one space dimension to illustrate the implementation of the well-posed penalty formulation, and show spectral convergence of the approximations when sufficient dissipation is applied.

Maximum principle preserving time implicit DGSEM for linear scalar hyperbolic conservation laws

The properties of the high-order discontinuous Galerkin spectral element method (DGSEM) with implicit backward Euler time stepping are investigated for the approximation of hyperbolic linear scalar conservation equation in multiple space dimensions. We first prove that the DGSEM scheme in one space dimension preserves a maximum principle for the cell-averaged solution when the time step is large enough. This property however no longer holds in multiple space dimensions and we propose to use the flux-corrected transport (FCT) limiting [5] based on a low-order approximation using graph viscosity to impose a maximum principle on the cell-averaged solution. These results allow us to use a linear scaling limiter [58] in order to impose a maximum principle at nodal values within elements, while limiting the cell average with the FCT limiter improves the accuracy of the limited solution. Then, we investigate the inversion of the linear systems resulting from the time implicit discretization at each time step. We prove that the diagonal blocks are invertible and provide efficient algorithms for their inversion. Numerical experiments in one and two space dimensions are presented to illustrate the conclusions of the present analyses.

Entropy-Conservative Discontinuous Galerkin Methods for the Shallow Water Equations with Uncertainty

In this paper, we develop an entropy-conservative discontinuous Galerkin (DG) method for the shallow water (SW) equation with random inputs. One of the most popular methods for uncertainty quantification is the generalized Polynomial Chaos (gPC) approach which we consider in the following manuscript. We apply the stochastic Galerkin (SG) method to the stochastic SW equations. Using the SG approach in the stochastic hyperbolic SW system yields a purely deterministic system that is not necessarily hyperbolic anymore. The lack of the hyperbolicity leads to ill-posedness and stability issues in numerical simulations. By transforming the system using Roe variables, the hyperbolicity can be ensured and an entropy-entropy flux pair is known from a recent investigation by Gerster and Herty (Commun. Comput. Phys. 27(3): 639–671, 2020). We use this pair and determine a corresponding entropy flux potential. Then, we construct entropy conservative numerical two-point fluxes for this augmented system. By applying these new numerical fluxes in a nodal DG spectral element method (DGSEM) with flux differencing ansatz, we obtain a provable entropy conservative (dissipative) scheme. In numerical experiments, we validate our theoretical findings.

A Verification Suite of Test Cases for the Barotropic Solver of Ocean Models

AbstractThe development of any atmosphere or ocean model warrants a suite of test cases (TCs) to verify its spatial and temporal discretizations, order of accuracy, stability, reproducibility, portability, scalability, etc. In this paper, we present a suite of shallow water TCs designed to verify the barotropic solver of atmosphere and ocean models. These include the non‐dispersive coastal Kelvin wave; the dispersive inertia‐gravity wave; the dispersive planetary and topographic Rossby waves; the barotropic tide; and a non‐linear manufactured solution. These TCs check the implementation of the linear pressure gradient term; the linear constant or variable‐coefficient Coriolis and bathymetry terms; and the non‐linear advection terms. Simulation results are presented for a variety of time‐stepping methods as well as two spatial discretizations: a mimetic finite volume method based on the TRiSK scheme, and a high‐order discontinuous Galerkin spectral element method. The experimental procedure for conducting these numerical experiments is detailed. It underscores several key considerations that vary depending on the chosen spatial discretization method. Finally, convergence studies of every TC are conducted with refinement in both space and time, only in space, and only in time. The convergence slopes match the expected theoretical predictions.

Accuracy assessment of discontinuous Galerkin spectral element method in simulating supersonic free jets

Accuracy assessment of discontinuous Galerkin spectral element method in simulating supersonic free jets

Monolithic Convex Limiting for Legendre-Gauss-Lobatto Discontinuous Galerkin Spectral-Element Methods

We extend the monolithic convex limiting (MCL) methodology to nodal discontinuous Galerkin spectral-element methods (DGSEMS). The use of Legendre-Gauss-Lobatto (LGL) quadrature endows collocated DGSEM space discretizations of nonlinear hyperbolic problems with properties that greatly simplify the design of invariant domain-preserving high-resolution schemes. Compared to many other continuous and discontinuous Galerkin method variants, a particular advantage of the LGL spectral operator is the availability of a natural decomposition into a compatible subcell flux discretization. Representing a high-order spatial semi-discretization in terms of intermediate states, we perform flux limiting in a manner that keeps these states and the results of Runge-Kutta stages in convex invariant domains. In addition, local bounds may be imposed on scalar quantities of interest. In contrast to limiting approaches based on predictor-corrector algorithms, our MCL procedure for LGL-DGSEM yields nonlinear flux approximations that are independent of the time-step size and can be further modified to enforce entropy stability. To demonstrate the robustness of MCL/DGSEM schemes for the compressible Euler equations, we run simulations for challenging setups featuring strong shocks, steep density gradients, and vortex dominated flows.

An Entropy Stable Discontinuous Galerkin Method for the Two-Layer Shallow Water Equations on Curvilinear Meshes

We present an entropy stable nodal discontinuous Galerkin spectral element method (DGSEM) for the two-layer shallow water equations on two dimensional curvilinear meshes. We mimic the continuous entropy analysis on the semi-discrete level with the DGSEM constructed on Legendre–Gauss–Lobatto (LGL) nodes. The use of LGL nodes endows the collocated nodal DGSEM with the summation-by-parts property that is key in the discrete analysis. The approximation exploits an equivalent flux differencing formulation for the volume contributions, which generate an entropy conservative split-form of the governing equations. A specific combination of a numerical surface flux and discretization of the nonconservative terms is then applied to obtain a high-order path-conservative scheme that is entropy conservative. Furthermore, we find that this combination yields an analogous discretization for the pressure and nonconservative terms such that the numerical method is well-balanced for discontinuous bathymetry on curvilinear domains. Dissipation is added at the interfaces to create an entropy stable approximation that satisfies the second law of thermodynamics in the discrete case, while maintaining the well-balanced property. We conclude with verification of the theoretical findings through numerical tests and demonstrate results about convergence, entropy stability and well-balancedness of the scheme.

Conservation and stability in a discontinuous Galerkin method for the vector invariant spherical shallow water equations

We develop a novel and efficient discontinuous Galerkin spectral element method (DG-SEM) for the spherical rotating shallow water equations in vector invariant form. We prove that the DG-SEM is energy stable, and discretely conserves mass, absolute vorticity, and linear geostrophic balance on general curvlinear meshes. These theoretical results are possible due to our novel entropy stable numerical DG fluxes for the shallow water equations in vector invariant form. We experimentally verify these results on a cubed sphere mesh. Additionally, we show that our method is robust, that is it can be run stably without any dissipation. The entropy stable fluxes are sufficient to control the grid scale noise generated by geostrophic turbulence without the need for artificial stabilisation.

Fully well-balanced entropy controlled discontinuous Galerkin spectral element method for shallow water flows: Global flux quadrature and cell entropy correction

We present a novel formulation of the discontinuous Galerkin spectral element method for solving balance laws, with application to the shallow water equations. The scheme proposed is constructed starting from a global flux formulation in which an additional flux term is constructed as the primitive of the source. We show that, in the context of nodal spectral finite elements, this can be translated into a simple modification of the integral of the source term, or equivalently into a modification of a mass matrix. When using Gauss-Lobatto nodal finite elements this modified integration allows to recover at steady state a well known high order Gauss collocation ODE integrator for the flux: the LobattoIIIA method. This method is superconvergent at the collocation points. We thus obtain considerable accuracy enhancements for any steady state, and a characterization via a discrete well-balanced property similar in spirit to the one proposed in [20], albeit not needing the explicit solution of the local Cauchy problem. To control the entropy production, we introduce ad-hoc artificial viscosity corrections at the cell level and incorporate them into the scheme. We provide theoretical and numerical characterizations of the accuracy and equilibrium preservation of these corrections. Through extensive numerical benchmarking we validate all the theoretical predictions, conforming great improvements in accuracy for one dimensional steady states, and robustness for more complex scenarios both in one and two dimensions.

High order entropy stable discontinuous Galerkin spectral element methods through subcell limiting

Subcell limiting strategies for discontinuous Galerkin spectral element methods do not provably satisfy a semi-discrete cell entropy inequality. In this work, we introduce an extension to the subcell and monolithic convex limiting strategies [12,11,2] that satisfies the semi-discrete cell entropy inequality by formulating the limiting factors as solutions to an optimization problem. The optimization problem is efficiently solved using a deterministic greedy algorithm. We also discuss the extension of the proposed subcell limiting strategy to preserve general convex constraints. Numerical experiments confirm that the proposed limiting strategy preserves high-order accuracy for smooth solutions and satisfies the cell entropy inequality.

A Numerical Test Rig for Turbomachinery Flows Based on Large Eddy Simulations With a High-Order Discontinuous Galerkin Scheme—Part II: Shock Capturing and Transonic Flows

Abstract In the second paper of this three-part series, we focus on the simulation of transonic test cases for turbomachinery applications using a high-order discontinuous Galerkin spectral element method (DGSEM). High-fidelity simulations of transonic compressors and turbines are particularly challenging, as they typically occur at high Reynolds numbers and require additional treatment to reliably capture the shock waves characterizing such flows. A recently developed finite-volume subcell shock capturing scheme tailored for the DGSEM is applied and evaluated with regard to the shock sensor. To this end, we conduct implicit large eddy simulations of a high-pressure turbine cascade from the public literature and a transonic compressor cascade measured at the German Aerospace Center, both at a high Reynolds number above 106. Based on the results, we examine modal-energy and flow-feature based shock indicator functions, compare the simulation data to experimental and numerical studies, and present an analysis of the unsteady features of the flows.

A flux-differencing formula for split-form summation by parts discretizations of non-conservative systems: Applications to subcell limiting for magneto-hydrodynamics

In this paper, we show that diagonal-norm summation by parts (SBP) discretizations of general non-conservative systems of hyperbolic balance laws can be rewritten as a finite-volume-type formula, also known as flux-differencing formula, if the non-conservative terms can be written as the product of a local and a symmetric contribution. Furthermore, we show that the existence of a flux-differencing formula enables the use of recent subcell limiting strategies to improve the robustness of the high-order discretizations. The methods are valid on unstructured curvilinear grids using tensor-product basis functions.To demonstrate the utility of the novel flux-differencing formula, we construct hybrid schemes that combine high-order SBP methods (the discontinuous Galerkin spectral element method and a high-order SBP finite difference method) with a compatible low-order finite volume (FV) scheme at the subcell level. We apply the hybrid schemes to solve challenging magnetohydrodynamics (MHD) problems featuring strong shocks.

Inverse radiative transfer with goal-oriented hp-adaptive mesh refinement: adaptive-mesh inversion

The inverse problem for radiative transfer is important in many applications, such as optical tomography and remote sensing. Major challenges include large memory requirements and computational expense, which arise from high-dimensionality and the need for iterations in solving the inverse problem. Here, to alleviate these issues, we propose adaptive-mesh inversion: a goal-oriented hp-adaptive mesh refinement method for solving inverse radiative transfer problems. One novel aspect here is that the two optimizations (one for inversion, and one for mesh adaptivity) are treated simultaneously and blended together. By exploiting the connection between duality-based mesh adaptivity and adjoint-based inversion techniques, we propose a goal-oriented error estimator, which is cheap to compute, and can efficiently guide the mesh-refinement to numerically solve the inverse problem. We use discontinuous Galerkin spectral element methods to discretize the forward and the adjoint problems. Then, based on the goal-oriented error estimator, we propose an hp-adaptive algorithm to refine the meshes. Numerical experiments are presented at the end and show convergence speed-up and reduced memory occupation by the goal-oriented mesh adaptive method.

A high-order fluid–structure interaction framework with application to shock-wave/turbulent boundary-layer interaction over an elastic panel

Within this work, a loosely-coupled high-order fluid–structure interaction (FSI) framework is developed in order to investigate the influence of an elastic panel response on shock-wave/turbulent boundary-layer interaction (SWTBLI). Since high-order methods are expected to determine the future of high-fidelity numerical simulations, they are employed in the construction of both fluid and structure solvers. Specifically, a split-form arbitrary Lagrangian-Eulerian discontinuous Galerkin spectral element method is employed in the fluid solver and a Legendre spectral finite element method in the structure solver. Shock capturing by an improved adaptive filter method, which confines the filtering effect to the vicinity of shocks, is found to be well-behaved in accuracy, efficiency and flexibility.After being validated by two benchmark FSI problems, the developed FSI framework is applied to simulate SWTBLI over an elastic panel. A comparison with a previous simulation of SWTBLI over a rigid panel reveals that: (1) A larger amplitude of the pressure variation, observed on the elastic panel surface, implies a larger threat to the structural integrity; (2) The shock-induced separation flow over the elastic panel changes both in size and shape, leading to a different skin-friction coefficient distribution; (3) A new low-frequency flow unsteadiness of the same magnitude as the elastic panel vibration is detected, which may affect the flow dynamics inside the turbulent boundary layer.

A discontinuous Galerkin discretization of elliptic problems with improved convergence properties using summation by parts operators

Nishikawa (2007) proposed to reformulate the classical Poisson equation as a steady state problem for a linear hyperbolic system. This results in optimal error estimates for both the solution of the elliptic equation and its gradient. However, it prevents the application of well-known solvers for elliptic problems. We show connections to a discontinuous Galerkin (DG) method analyzed by Cockburn, Guzmán, and Wang (2009) that is very difficult to implement in general. Next, we demonstrate how this method can be implemented efficiently using summation by parts (SBP) operators, in particular in the context of SBP DG methods such as the DG spectral element method (DGSEM). The resulting scheme combines nice properties of both the hyperbolic and the elliptic point of view, in particular a high order of convergence of the gradients, which is one order higher than what one would usually expect from DG methods for elliptic problems.

Spatial discontinuous Galerkin spectral element method for a family of chromatography models in CADET

Packed bed liquid chromatography is widely applied in academia and industry. Model-based methods are increasingly utilized for process development and optimization, demanding multitudes of complex simulations. We derive spatial arbitrary order discontinuous Galerkin (DG) discretizations for three commonly used chromatography models, including the general rate model (GRM). The methods are integrated in the open source CADET software, making efficient implementations publicly available for the first time. The DG CADET code is validated and benchmarked against the original finite volume CADET code. We observe great performance advantages for DG, depending on the discrete problem size. For a four-component steric mass action GRM, we achieve a speed-up of an order of magnitude for an error range typical for engineering applications. We explore the performance of a collocation Legendre–Gauß–Lobatto (LGL) quadrature DG method in comparison to an exact integration DG method. Our performance benchmarks indicate a slight advantage for collocation DG.

Time parallelism and Newton-adaptivity of the two-derivative deferred correction discontinuous Galerkin method

In this work, we consider a high-order discretization of compressible viscous flows allowing parallelization both in space and time.The discontinuous Galerkin spectral element method, which is well-suited for massively parallel simulations, is used for spatial discretization. The main novelty in this work is the additional demonstration of time-parallel capabilities within an implicit two-derivative timestepping procedure to further increase the parallel speedup. Temporal parallelism is made possible by a predictor-corrector-type time discretization that allows to split the associated workload onto multiple processors.We identify a homogeneous load balance with respect to the linear (GMRES) iterations on each processor as a key for parallel efficiency. To homogenize the load and to enable practical simulations, an adaptive strategy for Newton’s method is introduced. It is shown that the time-parallel method provides a parallel efficiency of approx. 60−70% on 4−7 computational partitions. Moreover, the capabilities of the novel method for the simulation of large-scale problems are illustrated with a mixed temporal and spatial parallelization on more than 1000 processors.

High-order methods for hypersonic flows with strong shocks and real chemistry

We compare high-order methods including spectral difference (SD), flux reconstruction (FR), the entropy-stable discontinuous Galerkin spectral element method (ES-DGSEM), modal discontinuous Galerkin methods, and WENO to select the best candidate to simulate strong shock waves characteristic of hypersonic flows. We consider several benchmarks, including the Leblanc and modified shock-density wave interaction problems that require robust stabilization and positivity-preserving properties for a successful flow realization. We also perform simulations of the three-species Sod problem with simplified chemistry with the chemical reaction source terms introduced in the Euler equations. The ES-DGSEM scheme exhibits the highest stability, negligible numerical oscillations, and requires the least computational effort in resolving reactive flow regimes with strong shock waves. Therefore, we extend the ES-DGSEM to hypersonic Euler equations by deriving a new set of two-point entropy conservative fluxes for a five-species gas model. In this paper, hypersonic Euler equations refer to the multi-species Euler equations for which the internal energy and thermodynamic properties are computed using the Rigid-Rotor Harmonic-Oscillator model. Stabilization for capturing strong shock waves occurs by blending high-order entropy conservative fluxes with low-order finite volume fluxes constructed using the HLLC Riemann solver. The hypersonic Euler solver is verified using the non-equilibrium chemistry Sod problem. To this end, we adopt the Mutation++ library to compute the reaction source terms, thermodynamic properties, and transport coefficients. We also investigate the effect of real chemistry versus ideal chemistry, and the results demonstrate that the ideal chemistry assumption fails at high temperatures, hence real chemistry must be employed for accurate predictions. Finally, we consider a viscous hypersonic flow problem to verify the transport coefficients and reaction source terms determined by the Mutation++ library.

Entropy Stable DGSEM Schemes of Gauss Points Based on Subcell Limiting.

The discontinuous Galerkin spectral element method (DGSEM) is a compact and high-order method applicable to complex meshes. However, the aliasing errors in simulating under-resolved vortex flows and non-physical oscillations in simulating shock waves may lead to instability of the DGSEM. In this paper, an entropy-stable DGSEM (ESDGSEM) based on subcell limiting is proposed to improve the non-linear stability of the method. First, we discuss the stability and resolution of the entropy-stable DGSEM based on different solution points. Second, a provably entropy-stable DGSEM based on subcell limiting is established on Legendre-Gauss (LG) solution points. Numerical experiments demonstrate that the ESDGSEM-LG scheme is superior in non-linear stability and resolution, and ESDGSEM-LG with subcell limiting is robust in shock-capturing.