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At least 55 records · Page 3

High order explicit local time stepping methods for hyperbolic conservation laws

In this paper we present and analyze a general framework for constructing high order explicit local time stepping (LTS) methods for hyperbolic conservation laws. In particular, we consider the model problem discretized by Runge-Kutta discontinuous Galerkin (RK-DG) methods and design LTS algorithms based on the strong stability preserving Runge-Kutta (SSP-RK) schemes, that allow spatially variable time step sizes to be used for time integration in different regions of the computational domain. The proposed algorithms are of predictor-corrector type, in which the interface information along the time direction is first predicted based on the SSP-RK approximations and Taylor expansions, and then the fluxes over the region of the interface are corrected to conserve mass exactly at each time step. Following the proposed framework, we detail the corresponding LTS schemes with accuracy up to the fourth order, and prove their conservation property and nonlinear stability for the scalar conservation laws. Numerical experiments are also presented to demonstrate excellent performance of the proposed LTS algorithms.

58 GEOSCIENCES↗

Efficient discontinuous Galerkin implementations and preconditioners for implicit unsteady compressible flow simulations

This work presents and compares efficient implementations of high-order discontinuous Galerkin methods: a modal matrix-free discontinuous Galerkin (DG) method, a hybridizable discontinuous Galerkin (HDG) method, and a primal formulation of HDG, applied to the implicit solution of unsteady compressible flows. The matrix-free implementation allows for a reduction of the memory footprint of the solver when dealing with implicit time-accurate discretizations. HDG reduces the number of globally-coupled degrees of freedom relative to DG, at high order, by statically condensing element-interior degrees of freedom from the system in favor of face unknowns. The primal formulation further reduces the element-interior degrees of freedom by eliminating the gradient as a separate unknown. This paper introduces a p-multigrid preconditioner implementation for these discretizations and presents results for various flow problems. Benefits of the p-multigrid strategy relative to simpler, less expensive, preconditioners are observed for stiff systems, such as those arising from low-Mach number flows at high-order approximation. The p-multigrid preconditioner also shows excellent scalability for parallel computations. Finally, additional savings in both speed and memory occur with a matrix-free/reduced version of the preconditioner.

97 MATHEMATICS AND COMPUTING↗

Subcell limiting strategies for discontinuous Galerkin spectral element methods

Here, we present a general family of subcell limiting strategies to construct robust high-order accurate nodal discontinuous Galerkin (DG) schemes. The main strategy is to construct compatible low order finite volume (FV) type discretizations that allow for convex blending with the high-order variant with the goal of guaranteeing additional properties, such as bounds on physical quantities and/or guaranteed entropy dissipation. For an implementation of this main strategy, four main ingredients are identified that may be combined in a flexible manner: (i) a nodal high-order DG method on Legendre–Gauss–Lobatto nodes, (ii) a compatible robust subcell FV scheme, (iii) a convex combination strategy for the two schemes, which can be element-wise or subcell-wise, and (iv) a strategy to compute the convex blending factors, which can be either based on heuristic troubled-cell indicators, or using ideas from flux-corrected transport methods. By carefully designing the metric terms of the subcell FV method, the resulting methods can be used on unstructured curvilinear meshes, are locally conservative, can handle strong shocks efficiently while directly guaranteeing physical bounds on quantities such as density, pressure or entropy. We further show that it is possible to choose the four ingredients to recover existing methods such as a provably entropy dissipative subcell shock-capturing approach or a sparse invariant domain preserving approach. We test the versatility of the presented strategies and mix and match the four ingredients to solve challenging simulation setups, such as the KPP problem (a hyperbolic conservation law with non-convex flux function), turbulent and hypersonic Euler simulations, and MHD problems featuring shocks and turbulence.

97 MATHEMATICS AND COMPUTING↗

Sparse invariant domain preserving discontinuous Galerkin methods with subcell convex limiting

In this paper, we develop high-order nodal discontinuous Galerkin (DG) methods for hyperbolic conservation laws that satisfy invariant domain preserving properties using subcell flux corrections and convex limiting. These methods are based on a subcell flux corrected transport (FCT) methodology that involves blending a high-order target scheme with a robust, low-order invariant domain preserving method that is obtained using a graph viscosity technique. Furthermore, the new low-order discretizations are based on sparse stencils which do not increase with the polynomial degree of the high-order DG method. As a result, the accuracy of the low-order method does not degrade when used with high-order target methods. The method is applied to both scalar conservation laws, for which the discrete maximum principle is naturally enforced, and to systems of conservation laws such as the Euler equations, for which positivity of density and a minimum principle for specific entropy are enforced. Numerical results are presented on a number of benchmark test cases.

97 MATHEMATICS AND COMPUTING↗

An Investigation of Wave Propagations in Discontinuous Galerkin Method

Analysis of the discontinuous Galerkin method has been carried out for one- and two-dimensional system of hyperbolic equations. Analytical, as well as numerical, properties of wave propagation in a DGM scheme are derived and verified with direct numerical simulations. In addition to a systematic examination of the dissipation and dispersion errors, behaviours of a DG scheme at an interface of two different grid topologies are also studied. Under the same framework, a quantitative discrete analysis of various artificial boundary conditions is also conducted. Progress has been made in numerical boundary condition treatment that is closely related to the application of DGM in aeroacoustics problems. Finally, Fourier analysis of DGM for the Convective diffusion equation has also be studied in connection with the application of DG schemes for the Navier-Stokes equations. This research has resulted in five(5) publications, plus one additional manuscript in preparation, four(4) conference presentations, and three(3) departmental seminars, as summarized in part II. Abstracts of papers are given in part 111 of this report.

Hu, Fang Q.↗

LDRD Abbreviated report: High-Order General-Discrete-Ordinates Method Enabling Efficient Deterministic Transport in Hydrodynamic Simulations

Deterministic transport simulations for national-security and energy applications often operate in high-dimensional phase-space, where accuracy and cost both become major challenges. A common numerical artifact in such problems is the “ray-effect,” which appears as unphysical streaks. Beyond misinterpretation, these artifacts can contaminate tightly coupled physics, such as fluid dynamics, radiation-hydrodynamics, and laser-plasma interactions, eroding the predictive capability of entire multiphysics workflows. Our objective was to make high-dimension studies practical on modern hardware while mitigating the ray-effect without relying on prohibitively expensive sampling approaches such as Monte Carlo methods. We developed the Generic Discretization Library (GenDiL), a Graphics Processing Unit (GPU)-first framework that uses high-order Discontinuous Galerkin (DG) methods and matrix-free algorithms to reduce memory usage and improve computational efficiency, critical for phase-space simulations. GenDiL supports phase-space adaptivity in both mesh size and polynomial order (hp-adaptivity) to place resolution only where it is needed. A central capability is Local Dimensional Refinement (LDR), which couples lower-dimension continuum models to higher-dimension kinetic models through stable and conservative interfaces, so that high-fidelity physics is applied only in regions where it is essential. Building on the GenDiL framework, we developed the General SN (GSN) family of algorithms as a true generalization of the polar SN approach (discrete ordinates, often denoted SN). Rather than tying discrete ordinates to a specific polar change of coordinates, GSN formulates transport on an arbitrary change of coordinates chosen to reduce ray-effect. We studied two complementary variants: an analytic variant, where the coordinate map is prescribed in advance by a closed-form function; and a data-driven variant, where a quantity of interest, such as the net flux, guides the coordinate system. GenDiL provides the library infrastructure for efficient GPU execution, but the GSN concept is algorithmic and independent of any one library. Across representative high-dimension tests, including non-symmetric solutions, both variants delivered strong ray-effect mitigation at practical cost, moving four- to six-dimensional analysis toward repeatable, routine studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A coupled discontinuous Galerkin-Finite Volume framework for solving gas dynamics over embedded geometries

Herein, we present a computational framework for solving the equations of inviscid gas dynamics using structured grids with embedded geometries. The novelty of the proposed approach is the use of high-order discontinuous Galerkin (dG) schemes and a shock-capturing Finite Volume (FV) scheme coupled via an hp adaptive mesh refinement (hp-AMR) strategy that offers high-order accurate resolution of the embedded geometries. The hp-AMR strategy is based on a multi-level block-structured domain partition in which each level is represented by block-structured Cartesian grids and the embedded geometry is represented implicitly by a level set function. The intersection of the embedded geometry with the grids produces the implicitly-defined mesh that consists of a collection of regular rectangular cells plus a relatively small number of irregular curved elements in the vicinity of the embedded boundaries. High-order quadrature rules for implicitly-defined domains enable high-order accuracy resolution of the curved elements with a cell-merging strategy to address the small-cell problem. The hp-AMR algorithm treats the system with a second-order finite volume scheme at the finest level to dynamically track the evolution of solution discontinuities while using dG schemes at coarser levels to provide high-order accuracy in smooth regions of the flow. On the dG levels, the methodology supports different orders of basis functions on different levels. The space-discretized governing equations are then advanced explicitly in time using high-order Runge-Kutta algorithms. Numerical tests are presented for two-dimensional and three-dimensional problems involving an ideal gas. The results are compared with both analytical solutions and experimental observations and demonstrate that the framework provides high-order accuracy for smooth flows and accurately captures solution discontinuities.

97 MATHEMATICS AND COMPUTING↗

A Moving Discontinuous Galerkin Method with Interface Condition Enforcement for Reacting Hypersonic Flows

The necessity of enforcing conservation in computational elements or cells (element conservation) for discontinuous solutions is well understood and respected for solving conservation laws in computational fluid dynamics (CFD). In contrast, interface conservation, where the conservation across cell interfaces is enforced, is long ignored, and yet is also ruled and required by the underlying physics just like element conservation. Violation of the interface conservation across discontinuities is the root cause why an exact discontinuous solution can never be achieved in shock capturing methods. The interface conservation is examined and explored in this talk. Moving discontinuous Galerkin (MDG) finite element method with interface conservation enforcement (MDG-ICE) [1],[2] are then presented for solving compressible flow problems with discontinuities based on the observation that the interface conservation can only be satisfied, only when mesh interfaces are aligned with discontinuities. In the MDG-ICE formulation, both conservative quantities and grid geometry are considered as independent variables. A space-time DG formulation is used to solve the multi-material compressible Euler equations in the standard discontinuous solution space and the discrete grid geometry is solved using a variational formulation in a continuous space. A self-adaptive Levenberg-Marquardt method is utilized to solve the resulting over-determined system of nonlinear equations arising from the MDG-ICE formulation. A number of numerical experiments for a variety of flow problems are conducted to assess the accuracy and performance of the MDG-ICE method. Numerical results obtained indicate that the MDG-ICE method is able to deliver the designed order of both h- and p-convergence even for discontinuous solutions, and detect all types of interfaces, via interface condition enforcement and satisfy, via grid movement, the compressible Euler equations and the associated interface condition.

Discontinuous Galekin↗

A moving discontinuous Galerkin finite element method with interface condition enforcement for compressible flows

A variation of moving discontinuous Galerkin finite element method with interface condition enforcement (MDG-ICE) is developed for solving the compressible Euler equations. The MDG-ICE method, originating from the work of Corrigan et al. [1], [2], [3], [4], is based on the space-time DG formulation, where both flow field and grid geometry are considered as independent variables and the conservation laws are enforced both on discrete elements and element interfaces. The element conservation laws are solved in the standard discontinuous solution space to determine conservative quantities, while the interface conservation is enforced using a variational formulation in a continuous space to determine discrete grid geometry. The resulting over-determined system of nonlinear equations arising from the MDG-ICE formulation can then be solved in a least-squares sense, leading to an unconstrained nonlinear least-squares problem that is regularized and solved by Levenberg-Marquardt method. A number of numerical experiments for both 1D unsteady and 2D steady state compressible flow problems are conducted to assess the accuracy and robustness of the MDG-ICE method. Numerical results obtained indicate that the MDG-ICE method is able to implicitly detect and track all types of discontinuities via interface conservation enforcement and satisfy the conservation law on both elements and interfaces via grid movement and grid management, demonstrating that an exponential rate of convergence for Sod and Lax-Harden shock tube problems can be achieved and highly accurate solutions without overheating to both double-rarefaction wave and Noh problems can be obtained.

97 MATHEMATICS AND COMPUTING↗

Discontinuous Galerkin Methods for NonLinear Differential Systems

This talk considers simplified finite element discretization techniques for first-order systems of conservation laws equipped with a convex (entropy) extension. Using newly developed techniques in entropy symmetrization theory, simplified forms of the discontinuous Galerkin (DG) finite element method have been developed and analyzed. The use of symmetrization variables yields numerical schemes which inherit global entropy stability properties of the PDE (partial differential equation) system. Central to the development of the simplified DG methods is the Eigenvalue Scaling Theorem which characterizes right symmetrizers of an arbitrary first-order hyperbolic system in terms of scaled eigenvectors of the corresponding flux Jacobian matrices. A constructive proof is provided for the Eigenvalue Scaling Theorem with detailed consideration given to the Euler equations of gas dynamics and extended conservation law systems derivable as moments of the Boltzmann equation. Using results from kinetic Boltzmann moment closure theory, we then derive and prove energy stability for several approximate DG fluxes which have practical and theoretical merit.

Barth, Timothy↗

Robust 3D multi-material hydrodynamics using discontinuous Galerkin methods

A high-order discontinuous Galerkin (DG) method is presented for nonequilibrium multi-material (m ≥ 2) flow with sharp interfaces. Material interfaces are reconstructed using the algebraic THINC approach, resulting in a sharp interface resolution. The system assumes stiff velocity relaxation and pressure nonequilibrium. The presented DG method uses Dubiner's orthogonal basis functions on tetrahedral elements. This results in a unique combination of sharp multimaterial interfaces and high-order accurate solutions in smooth single-material regions. A novel shock indicator based on the interface conservation condition is introduced to mark regions with discontinuities. Slope limiting techniques are applied only in these regions so that nonphysical oscillations are eliminated while maintaining high-order accuracy in smooth regions. A local projection is applied on the limited solution to ensure discrete closure law preservation. The effectiveness of this novel limiting strategy is demonstrated for complex three-dimensional multi-material problems, where robustness of the method is critical. The presented numerical problems demonstrate that more accurate and efficient multi-material solutions can be obtained by the DG method, as compared to second-order finite volume methods.

97 MATHEMATICS AND COMPUTING↗

Precise 3D reactor core calculation using spherical harmonics and discontinuous Galerkin finite element methods

We study the use of P{sub N} method in angle and discontinuous Galerkin is space to solve 3D neutron transport problem. P{sub N} method consists in developing the angular flux on truncated spherical harmonics basic. In this paper, we couple this method with the discontinuous finite elements in space to obtain a complete discretization of the multigroup neutron transport equation. To investigate its precision, the method was applied to Takeda and C5G7 benchmark problems. These calculations point out that the proposed P{sub N}-DG method is capable of producing accurate solutions in small computational time, and that it is able to handle complex 3D geometries. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Practical Aspects of Stabilized FEM Discretizations of Nonlinear Conservation Law Systems with Convex Extension

This talk considers simplified finite element discretization techniques for first-order systems of conservation laws equipped with a convex (entropy) extension. Using newly developed techniques in entropy symmetrization theory, simplified forms of the Galerkin least-squares (GLS) and the discontinuous Galerkin (DG) finite element method have been developed and analyzed. The use of symmetrization variables yields numerical schemes which inherit global entropy stability properties of the POE system. Central to the development of the simplified GLS and DG methods is the Degenerative Scaling Theorem which characterizes right symmetrizes of an arbitrary first-order hyperbolic system in terms of scaled eigenvectors of the corresponding flux Jacobean matrices. A constructive proof is provided for the Eigenvalue Scaling Theorem with detailed consideration given to the Euler, Navier-Stokes, and magnetohydrodynamic (MHD) equations. Linear and nonlinear energy stability is proven for the simplified GLS and DG methods. Spatial convergence properties of the simplified GLS and DO methods are numerical evaluated via the computation of Ringleb flow on a sequence of successively refined triangulations. Finally, we consider a posteriori error estimates for the GLS and DG demoralization assuming error functionals related to the integrated lift and drag of a body. Sample calculations in 20 are shown to validate the theory and implementation.

Barth, Timothy↗

A scalable DG solver for the electroneutral Nernst-Planck equations

The robust, scalable simulation of flowing electrochemical systems is increasingly important due to the synergy between intermittent renewable energy and electrochemical technologies such as energy storage and chemical manufacturing. The high Péclet regime of many such applications prevents the use of off-the-shelf discretization methods. In this work, we present a high-order Discontinuous Galerkin scheme for the electroneutral Nernst-Planck equations. The chosen charge conservation formulation allows for the specific treatment of the different physics: upwinding for advection and migration, and interior penalty for diffusion of ionic species as well the electric potential. Similarly, the formulation enables different treatments in the preconditioner: AMG for the potential blocks and ILU-based methods for the advection-dominated concentration blocks. Here we evaluate the convergence rate of the discretization scheme through numerical tests. Strong scaling results for two preconditioning approaches are shown for a large 3D flow-plate reactor example.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detection of Strand Cleavage And Oxidation Damage Using Model DNA Molecules Captured in a Nanoscale Pore

We use a biological nano-scale pore to distinguish among individual DNA hairpins that differ by a single site of oxidation or a nick in the sugar-phosphate backbone. In earlier work we showed that the protein ion channel alpha-hemolysin can be used as a detector to distinguish single-stranded from double-stranded DNA, single base pair and single nucleotide differences. This resolution is in part a result of sensitivity to structural changes that influence the molecular dynamics of nucleotides within DNA. The strand cleavage products we examined here included a 5-base-pair (5-bp) hairpin with a 5-prime five-nucleotide overhang, and a complementary five-nucleotide oligomer. These produced predictable shoulder-spike and rapid near-full blockade signatures, respectively. When combined, strand annealing was monitored in real time. The residual current level dropped to a lower discrete level in the shoulder-spike blockade signatures, and the duration lengthened. However, these blockade signatures had a shorter duration than the unmodified l0bp hairpin. To test the pore sensitivity to nucleotide oxidation, we examined a 9-bp hairpin with a terminal 8-oxo-deoxyguanosine (8-oxo-dG), or a penultimate 8-oxo-dG. Each produced blockade signatures that differed from the otherwise identical control 9bp hairpins. This study showed that DNA structure is modified sufficiently by strand cleavage or oxidation damage at a single site to alter in a predictable manner the ionic current blockade signatures produced. This technique improves the ability to assess damage to DNA, and can provide a simple means to help characterize the risks of radiation exposure. It may also provide a method to test radiation protection.

Vercoutere, W.↗

A short note on the accuracy of the discontinuous Galerkin method with reentrant faces

In this work, we study the convergence of the discontinuous Galerkin (DG) method applied to the advection–reaction equation on meshes with reentrant faces. On such meshes, the upwind numerical flux is not smooth, and so the numerical integration of the resulting face terms can only be expected to be first-order accurate. Despite this inexact integration, we prove that the DG method converges with order $\mathscr{O}$(h p+1/2 ), which is the same rate as in the case of exact integration. Consequently, specialized quadrature rules that accurately integrate the non-smooth numerical fluxes are not required for high-order accuracy. These results are numerically corroborated on examples of linear advection and discrete ordinates transport equations.

97 MATHEMATICS AND COMPUTING↗

Chemical Thermodynamics and the Mathematical Integration of Reaction Kinetics

Key advances in the development of numerical methods for non-reacting compressible flows have been enabled by translating physical requirements into concrete numerical guidelines, such as the satisfaction of entropy inequalities for shock-capturing techniques [Lax, Contributions to Nonlinear Functional Analysis (1971) 603-634]. In the present work, we present nonlinear numerical analysis tools that draw from Chemical Thermodynamics , the branch of Nonequilibrium Thermodynamics that deals with chemical reactions. Through Gibbs formalism, chemical thermodynamics provides a well-known theoretical expression for the chemical equilibrium constant of a reaction in terms of reduced chemical potentials. A less-known, yet extremely valuable result, due to [Krambeck, Arch. Ration. Mech. Anal. , 38 (1970) 317], states that when this expression is implemented, mass-action kinetic models are consistent with the dynamical prescriptions of the 2nd law of thermodynamics. For fixed-temperature ordinary differential equations modeling constant-volume reacting gas mixtures, this leads to a decreasing Helmholtz free energy. If the temperature is allowed to vary in accordance with conservation of energy (1st law), this leads to the statement of increasing entropy. These nonlinear prescriptions can, and should be, used to further develop temporal integration techniques for reaction kinetics. We demonstrate that Krambeck's result holds even when the equilibrium constants are approximated from data. We prove this result by constructing the implicit free energy and the implicit entropy inherent to a given approximation. This is first done for a 5-species, 17-reaction model problem for air. With this structure established, elements of discrete entropy-stability theory [Tadmor, Acta Numer. , 12 (2003) 451] are leveraged to examine the consistency of time-integration schemes with these prescriptions. Using chemical potentials, one can compute the respective contributions of the kinetics model and of the temporal scheme to free energy/entropy variations. We introduce a nonlinear-stable version of the Discontinuous-Galerkin (DG) scheme in time which shows robustness improvements over the standard linearly-stable version. Most notably, the maximum timestep that can be resolved with the nonlinearly-stable variant tends to grow with polynomial order, in contrast to the linearly-stable variant. We generalize our constructions to arbitrary systems of reversible chemical reactions, ultimately showing that the compressible reacting Euler system admits the opposite of the implicitly constructed thermodynamic entropy as a mathematical entropy . This lays important theoretical foundations towards robust scheme development [Harten, J. Comput. Phys. 49 (1983) 151-164].

STMD↗

Analysis of the SBP-SAT Stabilization for Finite Element Methods Part I: Linear Problems

In the hyperbolic community, discontinuous Galerkin (DG) approaches are mainly applied when finite element methods are considered. As the name suggested, the DG framework allows a discontinuity at the element interfaces, which seems for many researchers a favorable property in case of hyperbolic balance laws. On the contrary, continuous Galerkin methods appear to be unsuitable for hyperbolic problems and there exists still the perception that continuous Galerkin methods are notoriously unstable. To remedy this issue, stabilization terms are usually added and various formulations can be found in the literature. However, this perception is not true and the stabilization terms are unnecessary, in general. In this paper, we deal with this problem, but present a different approach. We use the boundary conditions to stabilize the scheme following a procedure that are frequently used in the finite difference community. Here, the main idea is to impose the boundary conditions weakly and specific boundary operators are constructed such that they guarantee stability. This approach has already been used in the discontinuous Galerkin framework, but here we apply it with a continuous Galerkin scheme. No internal dissipation is needed even if unstructured grids are used. Further, we point out that we do not need exact integration, it suffices if the quadrature rule and the norm in the differential operator are the same, such that the summation-by-parts property is fulfilled meaning that a discrete Gauss Theorem is valid. This contradicts the perception in the hyperbolic community that stability issues for pure Galerkin scheme exist. In numerical simulations, we verify our theoretical analysis.

97 MATHEMATICS AND COMPUTING↗