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11institutetext: Popov I.S. 22institutetext: Department of Theoretical Physics, Dostoevsky Omsk State University, Omsk, Russia
22email: diphosgen@mail.ru, popovis@omsu.ru

Space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting for simulation of non-stationary compressible multicomponent reactive flows

Popov I.S
(Received: date / Accepted: date)
Abstract

The space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on subcells by the finite-volume ADER-WENO limiter was used to simulate non-stationary compressible multicomponent reactive flows. The multicomponent composition of the reacting medium and the reactions occurring in it were described by expanding the original system of Euler equations by a system of non-stationary convection-reaction equations. The use of this method to simulate high stiff problems associated with reactions occurring in a multicomponent medium requires the use of the adaptive change in the time step. The solution of the classical problem related to the formation and propagation of a ZND detonation wave is carried out. It was shown that the space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on subcells by the finite-volume ADER-WENO limiter can be used to simulate flows without using of splitting in directions and fractional step methods.

Keywords:
computational fluid dynamics physical gas dynamics reactive multicomponent flows HRS HRSCS ADER-DG ADER-WENO-FV LST-DG predictor a posteriori limitation
pacs:
47.11.-j 47.11.Fg 47.11.Df 47.70.-n 02.70.Dh 47.40.-x 47.40.Nm 47.40.Rs 47.40.Rs
MSC:
76M10 76M12 65M60 65N08 76N30 76V05 76L05 35L67 35Q31 35Q35 35L40

Introduction

Modern problems of fluids, gases and plasma dynamics are accompanied by the problems of simulating quite complex multi-scale flows Fortov_ESM ; Fortov_HEDP ; Zeldovich_Raizer_2002 ; Drake_2018 . Typical situations of flows arising within the framework of such problems contain forming, propagating and changing discontinuous solution components, such as shock waves and contact discontinuities; large scale and small scale flow turbulence; complex structure of boundary layers; coherent structures and a complicated set of nonlinear feedbacks. These peculiarities of the solution place strict conditions on the possibilities and accuracy of numerical schemes for simulating hydrodynamic flows.

Non-stationary solutions of classical problems of hydrodynamics and gas dynamics are characterized by the formation of discontinuous solution components, such as shock waves and contact discontinuities, even from smooth initial conditions Kulikovskii ; Rozhdestvenskii_Janenko . This leads to the imposition of rather contradictory requirements Handbook_NMHP_BF_2016 ; Handbook_NMHP_AM_2017 on the numerical schemes for modeling compressible flows. On the one hand, for the correct resolution of discontinuous components of the solution, the numerical scheme must have no more than the first order of accuracy, which is determined by the famous Godunov’s theorem, and have a sufficiently low numerical dispersion, or the numerical scheme must be nonlinear, which usually leads to the concept of hybrid numerical schemes. On the other hand, for a correct description of the propagation of small scale perturbations and non-stationary processes of the formation of complex solution structures, the numerical scheme must have a high order of accuracy and have a rather weak numerical dissipation.

Non-stationary compressible flows of multicomponent reactive flows are characterized by some significant additional difficulties that are not encountered in classical gas-dynamic problems Oran_Boris_2005 ; Lunev_2017 ; Nagnibeda_2009 ; Anderson_1989 . The kinetics of reactions in a multicomponent gas medium is described by the equations of chemical kinetics, such as the law of mass action. The reaction rates and the local energy yield of the reactions strongly and significantly nonlinearly depend on local density, temperature and composition fields. This imposes significant restrictions on the resolution accuracy of discontinuous components and sharp solution gradients. The strong dependence of the reaction parameters on the local temperature fields and concentrations of the medium components and the strong dependence of the fields of hydrodynamic quantities on the reaction fields (especially on the energy yield) lead to the formation of a complex feedback structure. This imposes significant restrictions on the accuracy of reproduction in the numerical solution of small perturbations, which is especially important in the study of non-stationary processes Oran_Boris_2005 .

Additional reactions terms in the convective transport equations of individual components of a multicomponent medium and in the equation(s) of the energy of the current have an extremely high stiffness Oran_Boris_2005 . These peculiarities, inherent in non-stationary compressible flows of multicomponent reactive flows, often lead to the use of numerical schemes for splitting into physical processes or methods of schemes with fractional time steps. However, the use of splitting methods usually leads to a significant reduction in the formal order of accuracy of the numerical scheme (usually, down to the first order). In certain situations, in particular, those associated with modeling the formation of detonation waves, the use of splitting methods can lead to a fundamentally incorrect solution (the detailed description see in frac_steps_detwave_sim_2000 ), which is associated with a significant difference in the local rates of hydrodynamic processes and reactions.

The described difficulties of numerical simulation of non-stationary compressible flows of multicomponent reactive flows require the development of high-precision numerical schemes that, on the one hand, would allow to resolve discontinuous components of the solution quite accurately and accurately reproduce small perturbations against the background of the general flow, on the other hand, would allow not to use direct methods of splitting by physical processes.

Among modern methods of computational fluid dynamics, in this case, high-precision DG methods (see review in chem_kin_hrs_rev ) and finite-volume methods with high-precision solution reconstruction chem_kin_hrs_weno are considered as perspective. In the case of DG methods, this is primarily due to the possibility of obtaining an arbitrarily high order of accuracy, especially when using the well-known ADER paradigm ader_init_1 ; ader_init_2 , as well as the high stability of these methods with respect to the occurrence of stiff terms in the system of equations ader_stiff_1 ; ader_stiff_2 , using a local space-time DG predictor (LST-DG) instead of the problem-dependent Cauchy-Kowalewski procedure in the ADER paradigm. However, one can’t just take and refuse using the splitting methods in high-precision finite volume methods, especially in terms of computational efficiency chem_kin_hrs_weno .

Computational methods such as the space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on sub-cells by the finite-volume ADER-WENO limiter using adaptive mesh refinement ader_dg_ideal_flows demonstrate unprecedented accuracy of numerical solution and resolution of discontinuities, and may be considered as a new generation of shock capturing schemes for computational fluid dynamics. This computational scheme has arisen as a result of the development of special schemes mood_par using a paradigm MOOD, using high-precision ADER-DG methods ader_dg_dev_1 ; ader_dg_dev_2 and adaptive correction with a sufficiently accurate and stable ADER-WENO-FV limiter ader_weno_lstdg . This scheme was extended for application in simulation of dissipative GD and MHD flows in ader_dg_diss_flows ; to the case of unstructured mesh, with application of direct ALE schemes in ader_dg_ale ; it was applied for solution of GRGD and GRMHD problems in ader_dg_grmhd ; ader_dg_gr_prd . In the article ader_dg_simple_mod in the Appendix A it was described the main actions that must be taken to transform a given DG code into a DG code that is stabilized with an a posteriori finite volume sub-cell limiter. In work ader_dg_PNPM , a generalization of the ADER-DG method with a posteriori correction technique of solutions on sub-cells by the finite-volume ADER-WENO limiter using adaptive mesh refinement to the PNPMP_{N}P_{M}-schemes PNPM_DG was constructed. Peculiarities of mathematical formulation and efficiency possibility of implementation are discussed in ader_dg_eff_impl ; fron_phys and exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 . The modern state of development of the space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on sub-cells by the finite-volume limiter using AMR for use on unstructured meshes and using the ALE approach is presented in the works ader_dg_mod_1 ; ader_dg_mod_2 . The article Vilar_subcell_lim_2019 presents a new development of these methods, associated with the use of a finite-volume limiter on the scale of individual subcells rather than the entire subgrid of the cell. An important feature of the space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on sub-cells by the finite-volume ADER-WENO limiter, as a new generation of high-resolution shock capturing numerical schemes, is the property of high-precision discontinuity resolution in the numerical solution — shock waves and contact discontinuities are resolved within a single finite element cell, while contact discontinuities do not spread over time; at the same time with high-precision resolution of small (acoustic) components of the solution.

This work is devoted to the use of space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on subcells by the finite-volume ADER-WENO limiter scheme for simulation of non-stationary compressible multicomponent reactive flows. The multicomponent composition of the reacting medium and the reactions occurring in it were described by expanding the original system of Euler equations by a system of non-stationary convection-reaction equations.

1 General description of the numerical method

1.1 Mathematical formulation of the problem

In this work, a classic mathematical problem formulation has been used to describe non-stationary gas-dynamic flow of multicomponent reactive media. The general properties of the gas-dynamic flow were described using a system of non-stationary one-dimensional Euler equations. The multicomponent composition of the reacting medium and the reactions occurring in it were described by expanding the original system of Euler equations by a system of non-stationary one-dimensional convection-reaction equations. The transfer velocities of the components in the convection-reaction equations were chosen to be the same and equal to the gas-dynamic velocity of the medium (one-speed approximation of the transfer). The density of the components was chosen by introducing into consideration the mass concentrations of the components, while the density of the medium was also determined from the Euler equations. In this case, the source term associated with the energy yield from the reactions occurring in the medium was included in the system of Euler equations on the right side of the energy equation. Thus, the system of non-stationary one-dimensional Euler equations and the system of non-stationary one-dimensional convection-reaction equations formed a quasilinear system of hyperbolic equations for describing non-stationary compressible reacting flows, which takes the following form:

𝐔t+𝐅(𝐔)x=𝐒(𝐔);\frac{\partial\mathbf{U}}{\partial t}+\frac{\partial\mathbf{F}(\mathbf{U})}{\partial x}=\mathbf{S}(\mathbf{U}); (1)

where 𝐔\mathbf{U} is the vector of conserved values, 𝐅\mathbf{F} is the flux terms and 𝐒\mathbf{S} is the source term:

𝐔=[ρρuερ𝐜];𝐅=[ρuρu2+p(ε+p)uρ𝐜u];𝐒=[00Se𝐒r];\displaystyle\mathbf{U}=\left[\begin{array}[]{c}\rho\\ \rho u\\ \varepsilon\\ \rho\mathbf{c}\end{array}\right];\hskip 14.22636pt\mathbf{F}=\left[\begin{array}[]{c}\rho u\\ \rho u^{2}+p\\ (\varepsilon+p)u\\ \rho\mathbf{c}u\end{array}\right];\hskip 14.22636pt\mathbf{S}=\left[\begin{array}[]{c}0\\ 0\\ S_{e}\\ \mathbf{S}_{r}\end{array}\right]; (14)

where ρ\rho is the mass density; uu is the velocity; pp is the pressure; ε\varepsilon is the total energy density including the thermal ee and the kinetic contributions ε=e+12ρv2\varepsilon=e+\frac{1}{2}\rho v^{2}; 𝐜T=[c1,,cR]\mathbf{c}^{T}=[c_{1},\ldots,c_{R}] is a vector of mass concentrations ckc_{k} of the component of the reacting medium, which determines the mass fraction of the kk-th component in the mixture: the density of the kk-th component can be obtained by the formula ρk=ρck\rho_{k}=\rho c_{k}, and thus the relation kck=1\sum_{k}c_{k}=1; RR is the amount of components in the mixture; Se\mathrm{S}_{e} is the source term that determine energy yield associated with reactions occurring in the medium; 𝐒r\mathbf{S}_{r} is the source terms that determines the rates of reactions. The multicomponent and reaction properties of the flow are considered in the form of non-stationary one-dimensional convection-reaction equations

(ρ𝐜)t+(ρ𝐜u)x=𝐒r,\frac{\partial\left(\rho\mathbf{c}\right)}{\partial t}+\frac{\partial\left(\rho\mathbf{c}u\right)}{\partial x}=\mathbf{S}_{r}, (15)

where, as can be seen from the system of equations (1), the transfer velocity of the mixture components and the total mass density are determined from the Euler equations. The reaction rates included in the term 𝐒r\mathbf{S}_{r} were chosen in the form of the law of mass action, where the reaction rate constants could have an arbitrary dependence on the temperature TT of the medium. The equation of state of the multicomponent mixture was chosen in the form of the perfect gas equation. The caloric equation of state was specified in the form p=(γ1)ep=(\gamma-1)e, where γ\gamma was calculated from the ratio of the weighted average, by mass concentrations ckc_{k}, specific heat capacities of components. Empirical values of the constants, RR and γ\gamma, which are used in the local approximation of the wide-range equations of state by the equation of state of a perfect gas Zeldovich_Raizer_2002 ; Lunev_2017 ; Anderson_1989 , can be used instead of the classical values.

Thus, in the present work, a computational scheme was used for the simplest mathematical model of unsteady compressible reacting flows, however, it is quite in demand in solving applied problems Oran_Boris_2005 ; Lunev_2017 ; Nagnibeda_2009 ; Anderson_1989 .

1.2 Formulation of the numerical method

The numerical scheme used in this work is based on the space-time adaptive ADER finite-element DG method, which has a high accuracy in resolution the smooth components of the solution. Nonphysical anomalies of the numerical solution that arise in the areas of discontinuities and strong gradients of the solution, associated with the linearity of the basic numerical scheme and Godunov’s theorem, are corrected a posteriori by a sufficiently stable high-precision ADER-WENO finite-volume scheme. An excellent detailed description of this computational scheme is given in the basic works ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 of the developers of this method. Details of the internal structure of the ADER-DG are presented in the works ader_dg_dev_1 ; ader_dg_dev_2 ; PNPM_DG . Details of the internal structure of the ADER-DG and ADER-WENO finite volume methods, in which the LST-DG prediction method is used, are presented in the work ader_weno_lstdg . Peculiarities of mathematical formulation and efficiency possibility of implementation are discussed in ader_dg_eff_impl ; fron_phys and exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 . The modern state of development of the space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on sub-cells by the finite-volume limiter using AMR for use on unstructured meshes and using the ALE approach is presented in the works ader_dg_mod_1 ; ader_dg_mod_2 . For this reason, the description of the computational method in this paragraph will be given only briefly enough to understand the general structure of the method used in this particular case.

The space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting involves a sequence of steps ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 :

  • a LST-DG predictor, using which a local discrete space-time solution in the small is obtained;

  • a pure ADER discontinuous Galerkin NN\mathbb{P}_{N}\mathbb{P}_{N} scheme, using which a preliminary high accuracy solution is obtained;

  • a determination of the admissibility of the obtained high accuracy solution and identification of “troubled” cells;

  • a recalculation of the solution in “troubled” cells by a stable ADER-WENO finite-volume limiter.

The one-dimensional computational domain Ω=[a,b]\Omega=[a,b] was represented by the mesh Ω=iΩi\Omega=\cup_{i}\Omega_{i}, where Ωi=[xi12,xi+12]\Omega_{i}=[x_{i-\frac{1}{2}},x_{i+\frac{1}{2}}]. The piecewise polynomials DG-representation 𝐔h(x,tn)\mathbf{U}_{h}(x,t^{n}) are based on the Legendre interpolation polynomials of degree NN, specified on the space cell Ωi\Omega_{i} (mapped into the space reference element ω=[0;1]\omega=[0;1]):

𝐔h(x,tn)=p𝐮^pnφp(ξ(x)),𝐫Ωiξω,\mathbf{U}_{h}(x,t^{n})=\sum\limits_{p}\hat{\mathbf{u}}_{p}^{n}\varphi_{p}\left(\xi(x)\right),\;\;\;\;\;\;\mathbf{r}\in\Omega_{i}\leftrightarrow\mathbf{\xi}\in\omega, (16)

where 𝐮^pn\hat{\mathbf{u}}_{p}^{n} are the DG-representation coefficients; φp=φp(ξ)\varphi_{p}=\varphi_{p}(\xi) are the basis functions; and index p[0,N]p\in[0,N]. The interpolation nodes of the Legendre polynomials φp(ξ)\varphi_{p}(\xi) were chosen at the nodal points of the Gauss-Legendre quadrature formula.

The solution on a new (n+1)(n+1)-th time step is obtained using the fully discrete one-step ADER-DG scheme ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 , that was chosen in the classical form of projection onto the elements φh(ξ)\varphi_{h}(\xi) of the set of basis functions {φh(ξ)}\left\{\varphi_{h}(\xi)\right\}:

tntn+1Ωiφh(ξ(x))𝐔h(x,t)tdxdt+tntn+1[φh(ξ(xi+12))𝔊(𝐪hR(xi12,t),𝐪h(xi+12,t))φh(ξ(xi12))𝔊(𝐪h(xi12,t),𝐪hL(xi+12,t))]dttntn+1Ωi[ddxφh(ξ(x))]𝐅(𝐪h(x,t))𝑑x𝑑t=tntn+1Ωiφh(ξ(x))𝐒(𝐪h(x,t))𝑑x𝑑t,\begin{split}\int\limits_{t^{n}}^{t^{n+1}}\int\limits_{\Omega_{i}}&\varphi_{h}(\xi(x))\frac{\partial\mathbf{U}_{h}(x,t)}{\partial t}\ dxdt\hskip 2.84526pt\\ +\int\limits_{t^{n}}^{t^{n+1}}&\left[\varphi_{h}\left(\xi(x_{i+\frac{1}{2}})\right)\mathbf{\mathfrak{G}}\Big{(}\mathbf{q}_{h}^{R}(x_{i-\frac{1}{2}},t),\mathbf{q}_{h}(x_{i+\frac{1}{2}},t)\Big{)}\right.\\ -&\left.\hskip 3.41432pt\varphi_{h}\left(\xi(x_{i-\frac{1}{2}})\right)\mathbf{\mathfrak{G}}\Big{(}\mathbf{q}_{h}(x_{i-\frac{1}{2}},t),\mathbf{q}_{h}^{L}(x_{i+\frac{1}{2}},t)\Big{)}\right]dt\\ -\int\limits_{t^{n}}^{t^{n+1}}&\int\limits_{\Omega_{i}}\left[\frac{d}{dx}\varphi_{h}(\xi(x))\right]\mathbf{F}\Big{(}\mathbf{q}_{h}(x,t)\Big{)}dxdt\\ =\int\limits_{t^{n}}^{t^{n+1}}&\int\limits_{\Omega_{i}}\varphi_{h}(\xi(x))\mathbf{S}\Big{(}\mathbf{q}_{h}(x,t)\Big{)}dxdt,\\ \end{split} (17)

where 𝐪h=𝐪h(x,t)\mathbf{q}_{h}=\mathbf{q}_{h}(x,t) is the discrete space-time solution obtained by using the LST-DG-predictor; 𝔊=𝔊(𝐪h,𝐪h+)\mathbf{\mathfrak{G}}=\mathbf{\mathfrak{G}}(\mathbf{q}_{h}^{-},\mathbf{q}_{h}^{+}) is the Riemann solver; 𝐪hL\mathbf{q}_{h}^{L} and 𝐪hR\mathbf{q}_{h}^{R} is the discrete space-time solution in left and right cells; left and right states (𝐪h,𝐪h+)(\mathbf{q}_{h}^{-},\mathbf{q}_{h}^{+}) of the Riemann problem 𝔊\mathbf{\mathfrak{G}} are chosen as a solution at cell Ωi\Omega_{i} interfaces. In this work, the Rusanov flux Rusanov_solver (as noted in the work ader_dg_ideal_flows , the Rusanov flux sometimes referred to as the local Lax-Friedrichs flux) and HLLE Riemann solver HLLE_solver_1 ; HLLE_solver_2 were used as a Riemann solver Toro_solvers_2009 ; HLLE Riemann solver is characterized by high stability when used in high rarefaction ranges HLLE_solver_2 ; Toro_solvers_2009 . In this paper, the author would also like to note a very interesting shock-stable modification of the HLLC Riemann solver with reduced numerical dissipation HLLC_solver_shock_stable_2020 , which may arouse interest in using it with the ADER-DG schemes.

The computational scheme was based on space-time adaptive ADER finite-element discontinuous Galerkin method, which is linear in the sense of Godunov’s theorem. Therefore, when using a DG-representation with a degree N1N\geqslant 1, with a formal order of accuracy not less than 22, nonphysical oscillations arise in the numerical solution. Nonphysical anomalies of the solution were found in the solution obtained at a new time step, using the physical admissibility criteria (PAC) and the relaxed discrete maximum principle (DMP) in the sense of polynomials (numerical admissibility criteria; NAC). The physical admissibility criteria in this work were chosen in a form similar to the work ader_dg_ideal_flows : density, pressure (more precisely, internal energy) must be positive; the concentrations of all components must be non-negative; the normalization condition kck=1\sum_{k}c_{k}=1 for the mass concentrations of the medium components must be satisfied (this automatically includes a check for the condition ck1c_{k}\leqslant 1); the values calculated on the new time step must not be nan, which can occur due to a serious loss of accuracy. The numerical admissibility criteria, in the form of DMP, without significant changes are taken from works ader_dg_ideal_flows ; ader_dg_diss_flows :

minxVi(𝐔(x,tn))δ𝐔(x,tn+1)maxxVi(𝐔(x,tn))+δ,xΩi,\begin{split}\min\limits_{x^{\prime}\in V_{i}}&\left(\mathbf{U}(x^{\prime},t^{n})\right)-\mathbf{\delta}\leqslant\mathbf{U}(x,t^{n+1})\\ &\leqslant\max\limits_{x^{\prime}\in V_{i}}\left(\mathbf{U}(x^{\prime},t^{n})\right)+\mathbf{\delta},\quad\forall x\in\Omega_{i},\end{split} (18)

where Vi=Ωi1ΩiΩi+1V_{i}=\Omega_{i-1}\,\cup\Omega_{i}\,\cup\Omega_{i+1}, δ\mathbf{\delta} is chosen to be a solution-dependent tolerance given by

δ=max[δ0,ϵ(maxxVi(𝐔(x,tn))minxVi(𝐔(x,tn)))],\begin{split}\mathbf{\delta}=\max\Big{[}\delta_{0},\epsilon\cdot\Big{(}&\max\limits_{x^{\prime}\in V_{i}}\left(\mathbf{U}(x^{\prime},t^{n})\right)\\ &-\min\limits_{x^{\prime}\in V_{i}}\left(\mathbf{U}(x^{\prime},t^{n})\right)\Big{)}\Big{]},\end{split} (19)

where δ0=104\delta_{0}=10^{-4} and ϵ=103\epsilon=10^{-3}, in accordance with the recommendations of the works ader_dg_ideal_flows ; ader_dg_diss_flows . The inequality (18) is checked separately for each value of the vector of conserved values. The min\min and max\max functions return vectors of conserved values. Violation of inequality for at least one value leads to violation of the criterion.

Simultaneous verification by the PAC and the NAC for a finite-element cell Ωi\Omega_{i} determines that the numerical solution obtained by the space-time adaptive ADER finite-element DG method is admissible, while the cell is marked with indicator β=0\beta=0; otherwise, the cell is marked as “troubled”, with indicator β=1\beta=1 ader_dg_ideal_flows . In such “troubled” cells, a sub-grid with NsN_{s} spatial sub-cells Ωi,k\Omega_{i,k} was generated, where the piecewise-constant alternative data representation 𝐯h=P^𝐔h\mathbf{v}_{h}=\hat{\mathit{P}}\mathbf{U}_{h} was constructed using the reversible conservative L2L_{2}-interpolation procedure with operator P^\hat{\mathit{P}}:

𝐯h,k=[P^𝐔h]k=1|Ωi,k|Ωi,k𝐔h(x,tn)𝑑x,\begin{split}\mathbf{v}_{h,k}=\left[\hat{\mathit{P}}\mathbf{U}_{h}\right]_{k}=\frac{1}{|\Omega_{i,k}|}\int\limits_{\Omega_{i,k}}\mathbf{U}_{h}(x,t^{n})dx,\end{split} (20)

The verification of the PAC and the NAC, in algorithmic and software implementations, was carried out not on the DG-representation 𝐔h\mathbf{U}_{h} of the solution, but immediately on the piecewise-constant alternative data representation 𝐯h\mathbf{v}_{h}; for which a small tolerance δ\mathbf{\delta} was included in the inequalities of the DMP (see details in ader_dg_ideal_flows ; ader_dg_diss_flows ).

The solution in “troubled” cells was recalculated using the stable high-precision ADER-WENO-FV scheme, that was chosen in the classical form ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 :

(𝐯h,kn+1𝐯h,kn)τn+tntn+1[𝔊(𝐪hR(xi12,t),𝐪h(xi+12,t))𝔊(𝐪h(xi12,t),𝐪hL(xi+12,t))]dt=tntn+1Ωi𝐒(𝐪h(x,t))𝑑x𝑑t,\begin{split}\Big{(}\mathbf{v}^{n+1}_{h,k}&-\mathbf{v}^{n}_{h,k}\Big{)}\cdot\tau^{n}\hskip 2.84526pt\\ +&\int\limits_{t^{n}}^{t^{n+1}}\left[\mathbf{\mathfrak{G}}\Big{(}\mathbf{q}_{h}^{R}(x_{i-\frac{1}{2}},t),\mathbf{q}_{h}(x_{i+\frac{1}{2}},t)\Big{)}\right.\\ &\hskip 5.69054pt-\left.\mathbf{\mathfrak{G}}\Big{(}\mathbf{q}_{h}(x_{i-\frac{1}{2}},t),\mathbf{q}_{h}^{L}(x_{i+\frac{1}{2}},t)\Big{)}\right]dt\\ =&\int\limits_{t^{n}}^{t^{n+1}}\int\limits_{\Omega_{i}}\mathbf{S}\Big{(}\mathbf{q}_{h}(x,t)\Big{)}dxdt,\\ \end{split} (21)

where the introduced notation corresponds to the notation for the formula (17); τn=tn+1tn\tau^{n}=t^{n+1}-t^{n} is the time step. The main difference is that the discrete space-time solution 𝐪h(x,t)\mathbf{q}_{h}(x,t) is obtained by the LST-DG-predictor based on the WENO-reconstruction 𝐰h(x,tn)\mathbf{w}_{h}(x,t^{n}) as an initial condition, instead of DG-representation 𝐔hn\mathbf{U}^{n}_{h}. The resulting finite-volume solution, in the form of the piecewise-constant alternative data representation 𝐯hn+1\mathbf{v}^{n+1}_{h}, is converted into a DG-representation 𝐔hn+1\mathbf{U}^{n+1}_{h} using the inverse transformation specified by the suitable high order accurate reconstruction operator R^\hat{\mathit{R}}, which determines the relation 𝐔hn+1=R^𝐯hn+1\mathbf{U}^{n+1}_{h}=\hat{\mathit{R}}\mathbf{v}^{n+1}_{h}. The suitable high order accurate reconstruction operator R^\hat{\mathit{R}} is implemented using the least squares method implemented using a pseudo-inverse matrix.

It is important to note that the operators P^\hat{\mathit{P}} and R^\hat{\mathit{R}} satisfy the reversibility condition R^P^=1\hat{\mathit{R}}\circ\hat{\mathit{P}}=1, however, this condition is satisfied only in one direction: direct transformation is reversible 𝐔h𝐯h𝐔h\mathbf{U}_{h}\rightarrow\mathbf{v}_{h}\rightarrow\mathbf{U}_{h}, but the reverse transformation is irreversible, in the general case, 𝐯h𝐔h𝐯h𝐯h\mathbf{v}_{h}\rightarrow\mathbf{U}_{h}\rightarrow\mathbf{v}^{*}_{h}\neq\mathbf{v}_{h}; so there is the relation P^R^1\hat{\mathit{P}}\circ\hat{\mathit{R}}\neq 1. This is due to the fact that the amount of sub-cells NsN_{s} of sub-grid in cell is greater than the amount of coefficients N+1N+1 of the DG-representation, and the system of equations for obtaining the DG-representation 𝐔h\mathbf{U}_{h} from the piecewise-constant representation 𝐯h\mathbf{v}_{h} is overdetermined (thus, it is solved by the least squares method, using a pseudo-inverse matrix), and the system of equations for obtaining piecewise-constant representation 𝐯h\mathbf{v}_{h} from a DG-representation 𝐔h\mathbf{U}_{h} is underdetermined. Therefore, in algorithmic and software implementations, each cell is associated with the status (such as is_dg_the_primary_representation) that determines which of the DG-representations of the solution at the time step tnt^{n} is primary — whether the DG-representation 𝐔hn\mathbf{U}^{n}_{h} is obtained as a result of using the space-time adaptive ADER finite-element DG scheme and is its solution, or the DG-representation 𝐔hn\mathbf{U}^{n}_{h} is the result of a transformation from a piecewise-constant representation 𝐯h\mathbf{v}_{h}, using an operator R^\hat{\mathit{R}}. This is an important aspect of the implementation, since the next time step tn+1t^{n+1} of ADER-DG scheme may result in non-admissible DG-representation 𝐔hn+1\mathbf{U}^{n+1}_{h} (“troubled” cell) of the solution, so it will be necessary to recalculate the solution by the ADER-WENO-FV scheme, which will require a solution 𝐯hn\mathbf{v}^{n}_{h} at this time step tnt^{n}. Depending on which solution 𝐯hn\mathbf{v}^{n}_{h} is primary at this time step tnt^{n}, it will be used as a piecewise-constant representation for the ADER-WENO-FV scheme. Thus, if the cell remains “troubled” for several time steps, all these time steps will be performed only by the ADER-WENO-FV scheme, and there will be no problem with the irreversibility of the transformation operators P^R^1\hat{\mathit{P}}\circ\hat{\mathit{R}}\neq 1.

The WENO-reconstruction in high-precision ADER-WENO-FV scheme was carried out according to the piecewise-constant alternative data representation, for each sub-cell, based on the expansion in basis functions (similar to the representation (16), however, in this case, mapped into the space reference element ω=[0;1]\omega=[0;1] is performed separately for each sub-cell Ωi,k\Omega_{i,k}; so each “troubled” cell Ωi\Omega_{i} contains NsN_{s} separate representations of the WENO-reconstructions):

𝐰h(x,tn)=p𝐰^pnφp(ξ(x)),𝐫Ωiξω,\mathbf{w}_{h}(x,t^{n})=\sum\limits_{p}\hat{\mathbf{w}}_{p}^{n}\varphi_{p}\left(\xi(x)\right),\;\;\;\;\;\;\mathbf{r}\in\Omega_{i}\leftrightarrow\mathbf{\xi}\in\omega, (22)

where 𝐰^pn\hat{\mathbf{w}}_{p}^{n} are the WENO-reconstruction coefficients. A detailed description of the reconstruction procedure is presented in the work ader_weno_lstdg . The piecewise constant representation used to perform the reconstruction is taken from the piecewise constant representation of the given problem cell and two neighboring cells — “ghost” subgrids are built in neighboring cells. Technically, in algorithmic and software implementations, the piecewise-constant representation of two neighboring cells is already computed, whether they are “troubled” or not; the piecewise-constant representation calculation is still performed for the verification of the PAC and the NAC of the cells; at the same time, NAC still requires the calculation of the piecewise-constant representation in neighboring cells. The resulting WENO-reconstruction 𝐰h(x,tn)\mathbf{w}_{h}(x,t^{n}) is used as an initial condition in the LST-DG-predictor to obtain a discrete space-time solution 𝐪h(x,t)\mathbf{q}_{h}(x,t) to be used in the high-precision ADER-WENO-FV scheme (21) for each sub-cell Ωi,k\Omega_{i,k}.

ADER paradigm and the solution of a Generalized Riemann Problem (GRP) in this computational scheme are based on the use of a local discrete space-time solution 𝐪h(x,t)\mathbf{q}_{h}(x,t). The space-time adaptive ADER-DG scheme (17) and ADER-WENO-FV scheme (21) use the discrete space-time solution 𝐪h(x,t)\mathbf{q}_{h}(x,t) in the space-time cell Ωi×[tn,tn+1]\Omega_{i}\times[t^{n},t^{n+1}] for ADER-DG scheme and in the space-time cell Ωi,k×[tn,tn+1]\Omega_{i,k}\times[t^{n},t^{n+1}] for ADER-WENO-FV scheme (mapped into the space-time reference element [0;1]×[0;1][0;1]\times[0;1]). The discrete space-time solution 𝐪h(x,t)\mathbf{q}_{h}(x,t) is chosen in the form ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 :

𝐪(x,t)=𝔭𝐪^𝔭Φ𝔭(ξ(x),τ(t)),(ξ,τ)[0;1]×[0;1],\begin{split}&\mathbf{q}(x,t)=\sum\limits_{\mathfrak{p}}\hat{\mathbf{q}}_{\mathfrak{p}}\Phi_{\mathfrak{p}}\big{(}\xi(x),\tau(t)\big{)},\\ &(\mathbf{\xi},\tau)\in[0;1]\times[0;1],\end{split} (23)

where basis functions Φ𝔭(ξ,τ)\Phi_{\mathfrak{p}}(\xi,\tau) are chosen as tensor-products of Lagrange interpolation polynomials φn(ξ)\varphi_{n}(\xi) with degree NN, which were also used in the DG-representation (16) and WENO-reconstruction (22):

Φ𝔭(ξ(x),τ(t))=φp0(τ(t))φp1(ξ(x)),\Phi_{\mathfrak{p}}\big{(}\xi(x),\tau(t)\big{)}=\varphi_{p_{0}}\big{(}\tau(t)\big{)}\ \varphi_{p_{1}}\big{(}\xi(x)\big{)}, (24)

where tensor index 𝔭=(p0,p1)\mathfrak{p}=(p_{0},p_{1}), and 0p0,p1N0\leqslant p_{0},\ p_{1}\leqslant N. In this case, the following method of solving the GRP is used: first evolve the data locally in the small inside each element and then interact the evolved data at the element interfaces via a classical Riemann solver PNPM_DG ; ADER_GRP_LST_DG_1 ; ADER_GRP_LST_DG_2 ; ADER_GRP_LST_DG_3 ; ADER_GRP_LST_DG_4 ; ADER_GRP_LST_DG_5 (references in work ader_dg_ideal_flows ).

The LST-DG predictor for obtaining the discrete space-time solution 𝐪h(ξ(x),τ(t))\mathbf{q}_{h}(\xi(x),\tau(t)) in the space-time control volume Ω×[tn,tn+1]\Omega\times[t^{n},t^{n+1}] is chosen ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 as

[01Φ𝔭(ξ,1)Φ𝔮(ξ,1)𝑑ξ0101Φ𝔭(ξ,τ)τΦ𝔮(ξ,τ)dξdτ]𝐪^𝔮+0101Φ𝔭(ξ,τ)Φ𝔭(ξ,τ)ξ𝑑ξ𝑑τ𝐅~(𝐪^𝔮)=01Φ𝔭(ξ,0)Φk(ξ)𝑑ξ𝐮^k+0101Φ𝔭(ξ,τ)Φ𝔮(ξ,τ)𝑑ξ𝑑τ𝐒~(𝐪^𝔮),\begin{split}\Bigg{[}&\int\limits_{0}^{1}\Phi_{\mathfrak{p}}(\mathbf{\xi},1)\Phi_{\mathfrak{q}}(\mathbf{\xi},1)d\mathbf{\xi}\\ &-\int\limits_{0}^{1}\int\limits_{0}^{1}\frac{\partial\Phi_{\mathfrak{p}}(\mathbf{\xi},\tau)}{\partial\tau}\Phi_{\mathfrak{q}}(\mathbf{\xi},\tau)d\mathbf{\xi}d\tau\Bigg{]}\cdot\hat{\mathbf{q}}_{\mathfrak{q}}\\ +&\int\limits_{0}^{1}\int\limits_{0}^{1}\Phi_{\mathfrak{p}}(\mathbf{\xi},\tau)\frac{\partial\Phi_{\mathfrak{p}}(\mathbf{\xi},\tau)}{\partial\xi}d\mathbf{\xi}d\tau\cdot\tilde{\mathbf{F}}(\hat{\mathbf{q}}_{\mathfrak{q}})\\ &\hskip 14.22636pt=\int\limits_{0}^{1}\Phi_{\mathfrak{p}}(\mathbf{\xi},0)\Phi_{k}(\mathbf{\xi})d\mathbf{\xi}\cdot\hat{\mathbf{u}}_{k}\\ &\hskip 14.22636pt+\int\limits_{0}^{1}\int\limits_{0}^{1}\Phi_{\mathfrak{p}}(\mathbf{\xi},\tau)\Phi_{\mathfrak{q}}(\mathbf{\xi},\tau)d\mathbf{\xi}d\tau\cdot\tilde{\mathbf{S}}(\hat{\mathbf{q}}_{\mathfrak{q}}),\end{split} (25)

where summation is assumed over the tensor index 𝔮=(q0,q1)\mathfrak{q}=(q_{0},q_{1}) and scalar index kk (Einstein notation); 𝐮^k\hat{\mathbf{u}}_{k} is the representation coefficients of the initial conditions (at this time step tnt^{n}): for the case of the ADER-DG scheme 𝐮^k\hat{\mathbf{u}}_{k} is the DG-representation coefficients — 𝐮^k=𝐔^kn\hat{\mathbf{u}}_{k}=\hat{\mathbf{U}}^{n}_{k}; for the case of the ADER-WENO-FV scheme 𝐮^k\hat{\mathbf{u}}_{k} is the WENO-reconstruction coefficients — 𝐮^k=𝐰^kn\hat{\mathbf{u}}_{k}=\hat{\mathbf{w}}^{n}_{k}. Functions 𝐅~\tilde{\mathbf{F}} and 𝐒~\tilde{\mathbf{S}} are rescaled flux 𝐅\mathbf{F} and source 𝐒\mathbf{S} terms due to mapping Ω×[tn,tn+1][0;1]×[0;1]\Omega\times[t^{n},t^{n+1}]\leftrightarrow[0;1]\times[0;1]; it is important to note here that in the cases of the ADER-DG scheme and the ADER-WENO-FV scheme, the spatial step of the cells differs — the cell step hh and the sub-cell step hsh_{s} differ by NsN_{s} times; so the rescaling factors will be different. The LST-DG predictor is used to obtain the discrete space-time solution 𝐪h(ξ(x),τ(t))\mathbf{q}_{h}(\xi(x),\tau(t)) in each cell Ωi\Omega_{i} in the case of a ADER-DG scheme, as well as in each subcell Ωi,k\Omega_{i,k} of each “troubled” cell Ωi\Omega_{i} (and also, in certain cases, in nearby sub-cells to the “troubled” cells, to calculate the left flux terms in the left sub-cell and right flux terms in the right sub-cell, if neighboring cells are not “troubled” and WENO-reconstruction is not required in them). LST-DG predictor (25) takes a compact notation Zanotti_lectures_2016 ; Jackson_2017

𝕂𝔭𝔮τ𝐪^𝔮+𝕂𝔭𝔮ξ𝐅~(𝐪^𝔮)=𝔽𝔭,k𝐮^k+𝕄𝔭𝔮𝐒~(𝐪^𝔮),\mathbb{K}_{\mathfrak{p}\mathfrak{q}}^{\tau}\hat{\mathbf{q}}_{\mathfrak{q}}+\mathbb{K}_{\mathfrak{p}\mathfrak{q}}^{\xi}\tilde{\mathbf{F}}(\hat{\mathbf{q}}_{\mathfrak{q}})=\mathbb{F}_{\mathfrak{p},k}\hat{\mathbf{u}}_{k}+\mathbb{M}_{\mathfrak{p}\mathfrak{q}}\tilde{\mathbf{S}}(\hat{\mathbf{q}}_{\mathfrak{q}}), (26)

where 𝕂𝔭𝔮τ\mathbb{K}_{\mathfrak{p}\mathfrak{q}}^{\tau}, 𝕂𝔭𝔮ξ\mathbb{K}_{\mathfrak{p}\mathfrak{q}}^{\xi}, 𝔽𝔭𝔥\mathbb{F}_{\mathfrak{p}\mathfrak{h}} and 𝕄𝔭𝔮\mathbb{M}_{\mathfrak{p}\mathfrak{q}} are the matrices of integrals of φp(ξ)\varphi_{p}(\xi) and dφp(ξ)/dξd\varphi_{p}(\xi)/d\xi, which have a convenient index structure due to the orthogonality of the set of basis functions, and can be pre-computed in the code. The process of obtaining a solution 𝐪^𝔭\hat{\mathbf{q}}_{\mathfrak{p}} to system of nonlinear algebraic equations (26) with stiff terms can be organized using one of the iterative scheme ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2

𝐪^𝔭(i+1)[(𝕂τ)1]𝔭𝔮[𝕄𝔮𝔯𝐒~(𝐪^𝔯(i+1))]=[(𝕂τ)1]𝔭𝔮[𝔽𝔮,k𝐮^k𝕂𝔮𝔯ξ𝐅~(𝐪^𝔯(i))],\begin{split}\hat{\mathbf{q}}^{(i+1)}_{\mathfrak{p}}-&\left[\left(\mathbb{K}^{\tau}\right)^{-1}\right]_{\mathfrak{p}\mathfrak{q}}\left[\mathbb{M}_{\mathfrak{q}\mathfrak{r}}\tilde{\mathbf{S}}\left(\hat{\mathbf{q}}^{(i+1)}_{\mathfrak{r}}\right)\right]=\\ &\left[\left(\mathbb{K}^{\tau}\right)^{-1}\right]_{\mathfrak{p}\mathfrak{q}}\left[\mathbb{F}_{\mathfrak{q},k}\hat{\mathbf{u}}_{k}-\mathbb{K}_{\mathfrak{q}\mathfrak{r}}^{\xi}\tilde{\mathbf{F}}\left(\hat{\mathbf{q}}^{(i)}_{\mathfrak{r}}\right)\right],\end{split} (27)

where matrix products on the right side have certain properties: the matrix [(𝕂τ)1]𝔭𝔮𝕂𝔮𝔯ξ[(\mathbb{K}^{\tau})^{-1}]_{\mathfrak{p}\mathfrak{q}}\mathbb{K}_{\mathfrak{q}\mathfrak{r}}^{\xi} has zero eigenvalues Zanotti_lectures_2016 ; Jackson_2017 , therefore, in the case of a problem without source terms, a simple iterative procedure is converged to a fixed point (Banach fixed point theorem); the matrix [(𝕂τ)1]𝔭𝔮𝔽𝔮,k[(\mathbb{K}^{\tau})^{-1}]_{\mathfrak{p}\mathfrak{q}}\mathbb{F}_{\mathfrak{q},k} also has an interesting property:

{[(𝕂τ)1]𝔭𝔮𝔽𝔮,k}p0,p1,k=𝕀p0δp1,k,\left\{\left[\left(\mathbb{K}^{\tau}\right)^{-1}\right]_{\mathfrak{p}\mathfrak{q}}\mathbb{F}_{\mathfrak{q},k}\right\}_{p_{0},p_{1},k}=\mathbb{I}_{p_{0}}\delta_{p_{1},k}, (28)

where δp1,k\delta_{p_{1},k} is the Kronecker delta symbol and 𝕀p0=1\mathbb{I}_{p_{0}}=1 is just a one; which is a consequence of the correspondence principle: in the case of null fluxes terms 𝐅0\mathbf{F}\equiv 0 and null sources terms 𝐒0\mathbf{S}\equiv 0, the solution 𝐪(x,t)\mathbf{q}(x,t) should not depend on time tt and for the representation coefficients the solution 𝐪^p0,k=𝐮^p\hat{\mathbf{q}}_{p_{0},k}=\hat{\mathbf{u}}_{p} can be obtained. In the present work, the system of equations was solved by an iterative method, the left side of the system of equations was solved by an internal iterative procedure. In the case of a weakly stiff terms of the problem, the internal iterative procedure was a simple fixed point method. In the case of a strong stiff terms of the problem, the internal iterative procedure was implemented by Newton’s method.

Despite the fact that the methods used in this paper are locally implicit, the resulting ADER-DG and ADER-WENO-FV schemes are explicit (local implicitness of the LST-DG predictor step). Therefore, the Courant-Friedrichs-Lewy (CFL) condition is imposed on the time discretization step τn=tn+1tn\tau^{n}=t^{n+1}-t^{n}, which takes the form ader_dg_ideal_flows ; ADER_DG_time_step_1 ; ADER_DG_time_step_2 :

τDGn=12N+1h|λmax|,τFVn=hs|λmax|,\begin{split}&\tau^{n}_{DG}=\frac{1}{2N+1}\frac{h}{|\lambda_{max}|},\\ &\tau^{n}_{FV}=\frac{h_{s}}{|\lambda_{max}|},\end{split} (29)

where |λmax||\lambda_{max}| is the maximum signal velocity, hh is the spatial characteristic mesh size and hs=h/Nsh_{s}=h/N_{s} is the spatial characteristic sub-grid size. If Ns=2N+1N_{s}=2N+1 then the discretization time steps τDGn=τFVn\tau^{n}_{DG}=\tau^{n}_{FV} ader_dg_ideal_flows , therefore, in this work, the condition Ns=2N+1N_{s}=2N+1 was chosen.

The software implementation was made using the C++ programming language. Multithreading execution was provided using the OpenMP standard. Parallelization by threads was performed primitively — loops were parallelized using OpenMP pragmas, with the allocation of critical code sections and private and shared variables. Multiprocessing execution and inter-process communication was provided within the framework of the MPI standard. Parallelization by processes was also performed primitively — the full spatial mesh was divided into ranges, in each of which calculations were performed by separate processes; at each step, data was transferred from the boundary cells of the selected ranges. Load balancing of processes and threads in the parallelized version of the program was not performed, which in some cases led to a slight idle time of computing resources — the iterative processes of obtaining discrete space-time solutions by the LST-DG predictor for various initial states often converged for a different number of iterations, but this difference was not significant in terms of computation time.

2 Applications of the numerical method

2.1 Accuracy and convergence

Formulation of the problem

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Figure 1: Numerical solution of the classical problem of advection flow for a multicomponent medium (a detailed statement of the problem is presented in the text), using the computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-5\mathbb{P}_{5} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO5\mathrm{WENO}5 finite volume limiter, on a coordinate mesh with 55 (top figures) and 800800 (bottom figures) finite element cells. Each finite element contains Ns=11N_{s}=11 subcells. In the top figures, vertical lines indicate the coordinate boundaries of each finite element. The graphs show the coordinate dependencies of subcells finite-volume representation of density ρ\rho (a, d) and densities ρk=ρck\rho_{k}=\rho c_{k} (b, c, e, f) of individual components k=1, 2k=1,\,2 of the multicomponent medium, at the final time tfinal=1.0t_{\rm final}=1.0. The black square symbols represent the numerical solution; the red circle symbols represents the exact analytical solution of the problem.
Table 1: L1L^{1}, L2L^{2} and LL^{\infty} norms of errors and convergence rates orders by density ρ\rho, computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-N\mathbb{P}_{N} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO(N)\mathrm{WENO}(\mathbb{P}_{N}) finite volume limiter.
cells       L1L^{1} error    L2L^{2} error    LL^{\infty} error L1L^{1} order L2L^{2} order LL^{\infty} order   theor.
ADER-DG-1\mathbb{P}_{1} 55 4.4476E014.4476\mathrm{E}\!-\!01 5.0488E015.0488\mathrm{E}\!-\!01 6.7112E016.7112\mathrm{E}\!-\!01 - - - 22
1010 3.6731E013.6731\mathrm{E}\!-\!01 4.0975E014.0975\mathrm{E}\!-\!01 5.5141E015.5141\mathrm{E}\!-\!01 0.2760.276 0.3010.301 0.2830.283
2525 8.5188E028.5188\mathrm{E}\!-\!02 1.0203E011.0203\mathrm{E}\!-\!01 2.0990E012.0990\mathrm{E}\!-\!01 1.5951.595 1.5171.517 1.0541.054
5050 1.8983E021.8983\mathrm{E}\!-\!02 2.6755E022.6755\mathrm{E}\!-\!02 6.8839E026.8839\mathrm{E}\!-\!02 2.1662.166 1.9311.931 1.6081.608
100100 2.8155E032.8155\mathrm{E}\!-\!03 4.9650E034.9650\mathrm{E}\!-\!03 1.7083E021.7083\mathrm{E}\!-\!02 2.7532.753 2.4302.430 2.0112.011
200200 1.4200E041.4200\mathrm{E}\!-\!04 1.6443E041.6443\mathrm{E}\!-\!04 2.4239E042.4239\mathrm{E}\!-\!04 4.3094.309 4.9164.916 6.1396.139
400400 3.4883E053.4883\mathrm{E}\!-\!05 4.0442E054.0442\mathrm{E}\!-\!05 5.9769E055.9769\mathrm{E}\!-\!05 2.0252.025 2.0242.024 2.0202.020
800800 8.6832E068.6832\mathrm{E}\!-\!06 1.0056E051.0056\mathrm{E}\!-\!05 1.4869E051.4869\mathrm{E}\!-\!05 2.0062.006 2.0082.008 2.0072.007
ADER-DG-2\mathbb{P}_{2} 55 5.5317E025.5317\mathrm{E}\!-\!02 6.0282E026.0282\mathrm{E}\!-\!02 8.6083E028.6083\mathrm{E}\!-\!02 - - - 33
1010 1.3787E021.3787\mathrm{E}\!-\!02 1.5171E021.5171\mathrm{E}\!-\!02 1.9636E021.9636\mathrm{E}\!-\!02 2.0042.004 1.9901.990 2.1322.132
2525 5.7508E045.7508\mathrm{E}\!-\!04 7.0939E047.0939\mathrm{E}\!-\!04 1.2220E031.2220\mathrm{E}\!-\!03 3.4673.467 3.3433.343 3.0313.031
5050 5.1458E055.1458\mathrm{E}\!-\!05 6.5010E056.5010\mathrm{E}\!-\!05 1.4852E041.4852\mathrm{E}\!-\!04 3.4823.482 3.4483.448 3.0413.041
100100 4.6608E064.6608\mathrm{E}\!-\!06 5.1810E065.1810\mathrm{E}\!-\!06 7.3933E067.3933\mathrm{E}\!-\!06 3.4653.465 3.6493.649 4.3284.328
200200 5.8233E075.8233\mathrm{E}\!-\!07 6.4685E076.4685\mathrm{E}\!-\!07 9.1489E079.1489\mathrm{E}\!-\!07 3.0013.001 3.0023.002 3.0153.015
400400 7.2854E087.2854\mathrm{E}\!-\!08 8.0903E088.0903\mathrm{E}\!-\!08 1.1444E071.1444\mathrm{E}\!-\!07 2.9992.999 2.9992.999 2.9992.999
800800 9.1131E099.1131\mathrm{E}\!-\!09 1.0119E081.0119\mathrm{E}\!-\!08 1.4315E081.4315\mathrm{E}\!-\!08 2.9992.999 2.9992.999 2.9992.999
ADER-DG-3\mathbb{P}_{3} 55 5.7454E035.7454\mathrm{E}\!-\!03 6.5334E036.5334\mathrm{E}\!-\!03 8.7552E038.7552\mathrm{E}\!-\!03 - - - 44
1010 4.1255E044.1255\mathrm{E}\!-\!04 4.8525E044.8525\mathrm{E}\!-\!04 8.3217E048.3217\mathrm{E}\!-\!04 3.8003.800 3.7513.751 3.3953.395
2525 7.3836E067.3836\mathrm{E}\!-\!06 8.4286E068.4286\mathrm{E}\!-\!06 1.5863E051.5863\mathrm{E}\!-\!05 4.3914.391 4.4234.423 4.3224.322
5050 4.1056E074.1056\mathrm{E}\!-\!07 4.7356E074.7356\mathrm{E}\!-\!07 7.0085E077.0085\mathrm{E}\!-\!07 4.1694.169 4.1544.154 4.5004.500
100100 2.5826E082.5826\mathrm{E}\!-\!08 2.9882E082.9882\mathrm{E}\!-\!08 4.4280E084.4280\mathrm{E}\!-\!08 3.9913.991 3.9863.986 3.9843.984
200200 1.6177E091.6177\mathrm{E}\!-\!09 1.8749E091.8749\mathrm{E}\!-\!09 2.7768E092.7768\mathrm{E}\!-\!09 3.9973.997 3.9943.994 3.9953.995
400400 1.0126E101.0126\mathrm{E}\!-\!10 1.1738E101.1738\mathrm{E}\!-\!10 1.7383E101.7383\mathrm{E}\!-\!10 3.9983.998 3.9983.998 3.9983.998
800800 6.3580E126.3580\mathrm{E}\!-\!12 7.3703E127.3703\mathrm{E}\!-\!12 1.1028E111.1028\mathrm{E}\!-\!11 3.9933.993 3.9933.993 3.9783.978
ADER-DG-4\mathbb{P}_{4} 55 2.3897E042.3897\mathrm{E}\!-\!04 2.7028E042.7028\mathrm{E}\!-\!04 4.0639E044.0639\mathrm{E}\!-\!04 - - - 55
1010 1.3196E051.3196\mathrm{E}\!-\!05 1.4964E051.4964\mathrm{E}\!-\!05 2.1046E052.1046\mathrm{E}\!-\!05 4.1794.179 4.1754.175 4.2714.271
2525 1.5401E071.5401\mathrm{E}\!-\!07 1.7074E071.7074\mathrm{E}\!-\!07 2.4186E072.4186\mathrm{E}\!-\!07 4.8574.857 4.8824.882 4.8744.874
5050 4.9460E094.9460\mathrm{E}\!-\!09 5.4955E095.4955\mathrm{E}\!-\!09 7.7642E097.7642\mathrm{E}\!-\!09 4.9614.961 4.9574.957 4.9614.961
100100 1.5594E101.5594\mathrm{E}\!-\!10 1.7351E101.7351\mathrm{E}\!-\!10 2.7513E102.7513\mathrm{E}\!-\!10 4.9874.987 4.9854.985 4.8194.819
200200 4.9148E124.9148\mathrm{E}\!-\!12 5.4550E125.4550\mathrm{E}\!-\!12 7.8031E127.8031\mathrm{E}\!-\!12 4.9884.988 4.9914.991 5.1405.140
400400 1.4970E131.4970\mathrm{E}\!-\!13 1.6845E131.6845\mathrm{E}\!-\!13 3.2685E133.2685\mathrm{E}\!-\!13 5.0375.037 5.0175.017 4.5774.577
ADER-DG-5\mathbb{P}_{5} 55 2.4059E052.4059\mathrm{E}\!-\!05 2.5733E052.5733\mathrm{E}\!-\!05 3.5695E053.5695\mathrm{E}\!-\!05 - - - 66
1010 5.8109E075.8109\mathrm{E}\!-\!07 6.3412E076.3412\mathrm{E}\!-\!07 8.8554E078.8554\mathrm{E}\!-\!07 5.3725.372 5.3435.343 5.3335.333
2525 2.5136E092.5136\mathrm{E}\!-\!09 2.8697E092.8697\mathrm{E}\!-\!09 4.2690E094.2690\mathrm{E}\!-\!09 5.9405.940 5.8915.891 5.8225.822
5050 3.9997E113.9997\mathrm{E}\!-\!11 4.6238E114.6238\mathrm{E}\!-\!11 6.8677E116.8677\mathrm{E}\!-\!11 5.9745.974 5.9565.956 5.9585.958
100100 1.8509E121.8509\mathrm{E}\!-\!12 3.7825E123.7825\mathrm{E}\!-\!12 1.3581E111.3581\mathrm{E}\!-\!11 4.4344.434 3.6123.612 2.3382.338
200200 6.1555E146.1555\mathrm{E}\!-\!14 7.2808E147.2808\mathrm{E}\!-\!14 1.6587E131.6587\mathrm{E}\!-\!13 4.9104.910 5.6995.699 6.3556.355

The computer program developed in this work implements the space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting for simulation of non-stationary compressible multicomponent reactive flows. The first problem of testing the developed program that implements the numerical method was checking the accuracy and convergence of the computational scheme. In the work ader_dg_ideal_flows where the ADER-DG finite element method, with LST-DG predictor and a posteriori sub-cell limiting by ADER-WENO-FV scheme, was originally proposed, it was shown that the convergence of the numerical solution for smooth solutions has an order of convergence N+1N+1 for polynomials with a degree NN, while the order of convergence was calculated for the computational scheme with AMR.

In this work, testing of the accuracy and convergence of the computational scheme was carried out using a gas-dynamic test with an advective flow. The spatial domain of the flow was chosen as x[0.0,1.0]x\in[0.0,1.0]. The initial values of velocity uinit=1.0u_{\rm init}=1.0 and pressure pinit=1.0p_{\rm init}=1.0 were chosen to be constant for the entire spatial domain of the flow. The initial values of mass concentrations c1,init=0.2c_{1,\mathrm{init}}=0.2 and c2,init=0.8c_{2,\mathrm{init}}=0.8 were also chosen to be constant. The initial coordinate dependence of the density ρ(x,t=0)=ρinit(x)\rho(x,t=0)=\rho_{\rm init}(x) was chosen in the following form:

ρinit(x)=2+sin(4πx).\rho_{\rm init}(x)=2+\sin\left(4\pi x\right). (30)

Periodic boundary conditions were set at the boundaries of the spatial domain of the flow. The solution of this problem represents the transfer for the coordinate dependencies of the density ρ(x,t)=ρinit(xut)\rho(x,t)=\rho_{\rm init}(x-ut) and component densities ρk(x,t)=ck,initρinit(xut)\rho_{k}(x,t)=c_{k,\mathrm{init}}\cdot\rho_{\rm init}(x-ut) with a constant flow velocity uu. In this case, the coordinate dependencies of the flow velocity u(x,t)u(x,t), pressure p(x,t)p(x,t), and mass concentrations ck(x,t)c_{k}(x,t) of the components do not change with time tt and remain constant values determined at the initial moment of time. As a result of choosing the conditions of the testing problem, the exact solutions for the flow density ρ(x,t)\rho(x,t) and the component densities ρk(x,t)\rho_{k}(x,t) are recovered to the coordinate dependence form after a time interval equal to an integer value. Testing of accuracy and convergence was carried out for the first recovery of the solution, with the final time of the simulation tfinal=1.0t_{\rm final}=1.0. The study of the convergence of the numerical solution was carried out using a sequence of 88 mesh sizes, with the number NcellsN_{\rm cells} of finite element cells: 55, 1010, 2525, 5050, 100100, 200200, 400400 and 800800. Numerical schemes ADER-DG-N\mathbb{P}_{N} with the degrees N=1N=1, 22, 33, 44 and 55 of polynomials were investigated. The sub-cell limiter for the numerical scheme ADER-DG-N\mathbb{P}_{N} was the ADER-WENO (N\mathbb{P}_{N}) finite-volume scheme.

Results

The solution to the advection problem is shown in Fig. 1 for two demonstration cases: Ncells=5N_{\rm cells}=5 and Ncells=800N_{\rm cells}=800, with degrees N=5N=5 of polynomials. The figure shows the coordinate dependencies of subcells finite-volume representation of density ρ\rho and densities ρk=ρck\rho_{k}=\rho c_{k} of individual components. The subcells finite-volume representation was calculated for the numerical solution and for the analytical solution (analytical calculation of integrals). The solution to the problem is smooth, so it was expected that the subcell limiter would never be activated, and the property was indeed satisfied in all cases of computation. The presented results show that the numerical method has a high subgrid resolution — five finite element cells are enough to correctly represent such solution.

The assessment of accuracy and convergence was carried out in the classical norms L1L^{1}, L2L^{2} and LL^{\infty} of error. Orders of convergence were calculated as ratios of logarithms ln(ε0/ε1)/ln(Ncells,1/Ncells,0)\ln\left(\varepsilon_{0}/\varepsilon_{1}\right)/\ln\left(N_{\mathrm{cells},1}/N_{\mathrm{cells},0}\right), where the errors ε0\varepsilon_{0} and ε1\varepsilon_{1} values correspond to the sequential numbers of cells Ncells,0N_{\mathrm{cells},0} and Ncells,1N_{\mathrm{cells},1}, respectively. The error has been calculated relative to the available analytical solution at the time tfinalt_{\rm final}. The error was calculated for the density ρ(x,t)\rho(x,t) and component densities ρk(x,t)\rho_{k}(x,t). It should be noted that exact analytical integration over the coordinate was carried out in the calculation of the norm values (numerically represented in the calculation of the differences for the finite volume representation, in subcells, of the numerical solution and of the exact solution). The results of calculating the errors in these norms are presented in the Table 1, together with the calculated values of the orders of convergence and the expected theoretical values of the orders of convergence, which are equal to the formal orders of approximation of a smooth solution. Only the results for the error by density ρ\rho are presented, the results for the error by component densities ρk\rho_{k} are similar and do not have significant differences. There is a clear trend that with an increase in the degree NN of polynomials, there is a decrease in the error for a fixed number NcellsN_{\rm cells} of finite element cells. There are no violations of the monotonicity of the decrease in the error with an increase in the values of NN or NcellsN_{\rm cells}. In cases N4N\geqslant 4, solutions for meshes of not all sizes are presented, because for larger meshes, round-off errors in the representation of floating point numbers make a significant contribution to the test results. In the case N=1N=1, there is some “over-convergence” for intermediate mesh sizes, with orders of convergence 4\simeq 4-66, but with an increase in the number of cells and reaching an asymptotic dependence, the order of convergence tends to theoretical value 22. For all other values NN studied, a similar behavior is observed when the order of convergence is greater than the theoretical result, which disappears in the asymptotics of large values NcellsN_{\rm cells}, where there is a correspondence with the theoretical result N+1N+1. It should be noted that for values N=4N=4-55 in the range Ncells200N_{\rm cells}\geqslant 200, round-off errors already begin to affect.

Thus, as a result of this carried out study of accuracy and convergence, it was revealed that the computational scheme ADER-DG-N\mathbb{P}_{N} shows the expected ader_dg_ideal_flows high orders N+1N+1 of convergence and the computer program correctly implements this numerical method. This testing applies mainly only to the computational scheme ADER-DG-N\mathbb{P}_{N}, because for a smooth solution, the limiter, which is the computational scheme ADER\mathrm{ADER}-WENO(N)\mathrm{WENO}(\mathbb{P}_{N}), has never been used in obtaining this numerical solution.

2.2 Classical gas dynamics problems

Formulation of the problems

The computer program developed in this work implements the space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting for simulation of non-stationary compressible multicomponent reactive flows. This subsection presents the results of calculating classical test cases based on exactly solvable classical Riemann problems Toro_solvers_2009 . The developed simulation method and its implementation are designed to simulate multicomponent reacting medium, therefore, in the selected test cases, they are extended to the case of multicomponent medium, with convective transfer. These problems have well-known exact analytical solutions, since in the case of passive convective transport of components (with the same values of the adiabatic exponent γk\gamma_{k}, otherwise, the problem associated with the equation of state of a multicomponent gas becomes much more complicated; then, in the general case, the splitting of the system of equations into two independent systems is violated), the Euler equations are split off from the equations of convective transport of components, which can then be solved Kulikovskii ; Rozhdestvenskii_Janenko on the basis of the obtained solution of the Euler equations. The mass concentrations of individual flow components, as well as the densities of individual components (see formula (15)), for a non-reacting medium satisfy the simple equations of convective transport:

(ρ𝐜)t+(ρ𝐜u)t=ρ[𝐜t+u𝐜x]+𝐜[ρt+(ρu)x]=ρ[𝐜t+u𝐜x]=𝐒=0;𝐜t+u𝐜x=0;\begin{split}\frac{\partial\left(\rho\mathbf{c}\right)}{\partial t}+&\frac{\partial\left(\rho\mathbf{c}u\right)}{\partial t}\\ &=\rho\left[\frac{\partial\mathbf{c}}{\partial t}+u\frac{\partial\mathbf{c}}{\partial x}\right]+\mathbf{c}\left[\frac{\partial\rho}{\partial t}+\frac{\partial\left(\rho u\right)}{\partial x}\right]\\ &=\rho\left[\frac{\partial\mathbf{c}}{\partial t}+u\frac{\partial\mathbf{c}}{\partial x}\right]=\mathbf{S}=0;\\ &\Rightarrow\frac{\partial\mathbf{c}}{\partial t}+u\frac{\partial\mathbf{c}}{\partial x}=0;\end{split} (31)

where the continuity equation was explicitly taken into account. Thus, the solution is constant along the characteristic curves dxdt=u(x,t)\frac{dx}{dt}=u(x,t), the slopes of which are piecewise separated in the case of the classical Riemann problem of the Euler equations, for which the exact analytical solution is known (including the flow velocity u=u(x,t)u=u(x,t)). In the test problems chosen in this work, the coordinate dependencies of mass concentrations 𝐜(x,t)\mathbf{c}(x,t) remain piecewise-constant over time tt in the areas to the left and to the right of the contact discontinuity, if it exists in the solution.

Table 2: Data for four Riemann problem tests. The parameter values (ρL,uL,pL)(\rho_{L},u_{L},p_{L}) correspond to the state of the flow to the left of the discontinuity; the parameter values (ρR,uR,pR)(\rho_{R},u_{R},p_{R}) correspond to the state of the flow to the right of the discontinuity.
test ρL\rho_{L} uLu_{L} pLp_{L} ρR\rho_{R} uRu_{R} pRp_{R}
1 1.0001.000 0.0000.000 1.0001.000 0.1250.125 0.0000.000 0.1000.100
2 0.4450.445 0.6980.698 3.5283.528 0.5000.500 0.0000.000 0.5710.571
3 1.0001.000 1.000-1.000 1.0001.000 1.0001.000 +1.000+1.000 1.0001.000
4 1.0001.000 +1.000+1.000 1.0001.000 1.0001.000 1.000-1.000 1.0001.000

Verification and testing of the developed computer program in this work was carried out on four classical gas-dynamic tests Toro_solvers_2009 : the classical Sod and Lax problems (11 and 22 tests), the problem with two strong rarefaction waves (33 test), and the problem with two shock waves (44 test). The spatial domain of the flow was chosen as x[0.0,1.0]x\in[0.0,1.0]. The initial discontinuity was located at the coordinate xc=0.5x_{\rm c}=0.5. The final time of the simulation was chosen as tfinal=0.15t_{\rm final}=0.15 for all four tests. Data for the parameter values (ρ,u,p)(\rho,u,p) of these four Riemann problem tests are presented in Table 2: the parameter values (ρL,uL,pL)(\rho_{L},u_{L},p_{L}) correspond to the state of the flow to the left of the discontinuity; the parameter values (ρR,uR,pR)(\rho_{R},u_{R},p_{R}) correspond to the state of the flow to the right of the discontinuity. The case of a multicomponent medium consisting of four components was chosen. Data for the mass concentrations (c1,c2,c3,c4)\left(c_{1},c_{2},c_{3},c_{4}\right) of each of the four components of the medium, that was used in all four test problems, are represented by the formula:

(c1,c2,c3,c4)={(0.5,0.1,0.2,0.2),ifx[0.0,0.5],(0.1,0.5,0.2,0.2),ifx[0.5,1.0],\displaystyle\left(c_{1},c_{2},c_{3},c_{4}\right)=\left\{\begin{array}[]{cl}\left(0.5,0.1,0.2,0.2\right),&\mathrm{if}\,x\in[0.0,0.5],\\[5.69054pt] \left(0.1,0.5,0.2,0.2\right),&\mathrm{if}\,x\in[0.5,1.0],\end{array}\right. (34)

The initial conditions for the first two components (with mass concentrations c1c_{1} and c2c_{2}) were chosen in the form of a discontinuity in mass concentrations by a factor of 55; for the other two components (with mass concentrations c3c_{3} and c4c_{4}), continuous initial conditions were chosen — this is due to the need for a detailed consideration of the correctness of the solution of the equations of convective transfer of the components of the medium, both under discontinuous initial conditions and under continuous ones (however, of course, hydrodynamic values (ρ,u,p)(\rho,u,p), in this case, undergo a discontinuity). The adiabatic exponents γk\gamma_{k} of the components were chosen equal to each other and were equal to the adiabatic exponent γ=1.4\gamma=1.4 of the medium. The Courant number for all selected tests was chosen 𝙲𝙵𝙻_𝚗𝚞𝚖𝚋𝚎𝚛=0.4\mathtt{CFL}\_\mathtt{number}=0.4. The study of the numerical solution was carried out using a sequence of 99 mesh sizes, with the number NcellsN_{\rm cells} of finite element cells: 200200, 400400, 600600, 800800, 10001000, 12001200, 14001400, 16001600 and 18001800. Numerical schemes ADER-DG-N\mathbb{P}_{N} with the degrees N=1N=1, 22, 33, 44 and 55 (for the Lax problem, results are obtained for N4N\leqslant 4) of polynomials were investigated. On the boundaries of the spatial domain of the solution, the boundary conditions of the free boundary were set. The sub-cell limiter for the numerical scheme ADER-DG-N\mathbb{P}_{N} was the ADER-WENO (N\mathbb{P}_{N}) finite-volume scheme. Numerical solutions of the tests problems for a multicomponent medium using the computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-5\mathbb{P}_{5} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO5\mathrm{WENO}5 finite volume limiter, on a coordinate mesh with Ncells=1800N_{\rm cells}=1800, are presented in Fig. 2 for Sod problem, in Fig. 3 for Lax problem, in Fig. 4 for the problem with two strong rarefaction waves and in Fig. 5 for the problem with two shock waves.

Results

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Figure 2: Numerical solution of the classical Sod problem for a multicomponent medium (a detailed statement of the problem is presented in the text), using the computational scheme ADER\mathrm{ADER}-5\mathbb{P}_{5} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO5\mathrm{WENO}5 finite volume limiter, on a coordinate mesh with 18001800 finite element cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d), and densities ρk=ρck\rho_{k}=\rho c_{k} (e1-e4) of individual components kk of the multicomponent medium, at the final time tfinal=0.15t_{\rm final}=0.15. The black square symbols represent the numerical solution; the red solid lines represents the exact analytical solution of the problem.
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Figure 3: Numerical solution of the classical Lax problem for a multicomponent medium (a detailed statement of the problem is presented in the text), using the computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-4\mathbb{P}_{4} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO4\mathrm{WENO}4 finite volume limiter, on a coordinate mesh with 18001800 finite element cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d), and densities ρk=ρck\rho_{k}=\rho c_{k} (e1-e4) of individual components kk of the multicomponent medium, at the final time tfinal=0.15t_{\rm final}=0.15. The black square symbols represent the numerical solution; the red solid lines represents the exact analytical solution of the problem.
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Figure 4: Numerical solution of the classical problem with two rarefaction waves for a multicomponent medium (a detailed statement of the problem is presented in the text), using the computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-5\mathbb{P}_{5} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO5\mathrm{WENO}5 finite volume limiter, on a coordinate mesh with 18001800 finite element cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d), and densities ρk=ρck\rho_{k}=\rho c_{k} (e1-e4) of individual components kk of the multicomponent medium, at the final time tfinal=0.15t_{\rm final}=0.15. The black square symbols represent the numerical solution; the red solid lines represents the exact analytical solution of the problem.
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Figure 5: Numerical solution of the classical problem with two shock waves for a multicomponent medium (a detailed statement of the problem is presented in the text), using the computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-5\mathbb{P}_{5} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO5\mathrm{WENO}5 finite volume limiter, on a coordinate mesh with 18001800 finite element cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d), and densities ρk=ρck\rho_{k}=\rho c_{k} (e1-e4) of individual components kk of the multicomponent medium, at the final time tfinal=0.15t_{\rm final}=0.15. The black square symbols represent the numerical solution; the red solid lines represents the exact analytical solution of the problem.

The solution of the Sod problem, presented in Fig. 2, contains a shock wave propagating to the right, followed by a contact discontinuity, and a rarefaction wave propagating to the left. The numerical solution obtained by the numerical scheme correctly and accurately displays all the main components of the solution of the Sod problem. The shock wave front spreads into one or two finite element cells: in the case when the front is located inside the cell, then into one cell; in the case when the front goes to the interface of neighboring cells, then to two cells. The shock wave front in the numerical solution does not expand with time tt. The position and velocity of the shock wave front are stably displayed in the numerical solution, in the coordinate dependencies of pressure pp, density ρ\rho, velocity uu, speed of sound cc and the densities ρk\rho_{k} of the components of a multicomponent medium. The contact discontinuity in the numerical solution of the Sod problem also spreads out into one or two finite element cells and does not expand with time tt, which is often a problem when using TVD\mathrm{TVD} numerical schemes Kulikovskii . The contact discontinuity is accurately displayed in the coordinate dependence of the density ρ\rho and speed of sound cc (as well as the densities ρk\rho_{k} of the components of a multicomponent medium), while it is not displayed in any way in the coordinate dependencies of pressure pp and velocity uu. The rarefaction wave is reproduced quite accurately, and there are no significant oscillations at the leading front of the wave. It should be noted that with increase in the degree of polynomials NN used in the ADER-DG-N\mathbb{P}_{N} and ADER\mathrm{ADER}-WENO\mathrm{WENO} (N\mathbb{P}_{N}) numerical schemes, small oscillations of the numerical solution arise in the region of space between the front of the shock wave and the leading front of the rarefaction wave. The oscillations between the shock wave front and the contact discontinuity are larger in amplitude than the oscillations between the contact discontinuity and the leading front of the rarefaction wave. The amplitude of the oscillations does not change significantly as the polynomials NN used in the numerical schemes increase, starting from the degree of 33. High-order ADER-DG-N\mathbb{P}_{N} numerical schemes were used in the work ader_dg_ideal_flows , but the ADER-WENO-FV schemes were limited to the 33 order. The coordinate dependencies of the densities ρk\rho_{k} and mass concentrations ckc_{k} of individual components of the medium in the numerical solution correctly and accurately reflect all the main components of the solution to the Sod problem. The quality of the obtained coordinate dependencies for the components of the medium corresponds to the quality of the results obtained for the main hydrodynamic quantities.

The solution of the Lax problem, similarly to the solution of the Sod problem, contains a shock wave, a contact discontinuity, and a resolution wave. However, the solution to the Lax problem is more complex Toro_solvers_2009 , due to the change in density difference and the non-zero flow velocity to the left of the discontinuity. This creates additional complexity for the numerical solution, so the solution of the problem usually reveals more peculiarities and artifacts of the numerical scheme. The solution of the Lax problem shown in Fig. 3 demonstrates the behavior of the numerical solution, which is similar to the numerical solution of the Sod problem. However, the numerical solution of the Lax problem was obtained only for N4N\leqslant 4 degrees of polynomials. For higher degrees of polynomials NN, a decrease in the Courant number 𝙲𝙵𝙻_𝚗𝚞𝚖𝚋𝚎𝚛=0.3\mathtt{CFL}\_\mathtt{number}=0.3 and below was required. The numerical solution of the Lax problem demonstrates noticeable oscillations of the solution in the vicinity of the contact discontinuity, which also spreads into 44-55 finite-element cells. The shock wave and rarefaction wave are accurately represented in the numerical solution, similar to the numerical solution of the Sod problem. In this case, the leading front of the rarefaction wave is also accurately reproduced, without significant oscillations of the numerical solution. The coordinate dependencies of the densities ρk\rho_{k} and mass concentrations ckc_{k} of the components of the medium in terms of the quality of the numerical solution are, in general, similar to the numerical solution for the main hydrodynamic quantities.

The numerical solution of the problem with two rarefaction waves, presented in Fig. 4, demonstrates the sufficient capabilities of the numerical scheme to obtain a solution in areas with strong rarefaction. The solution of the problem contains symmetric rarefaction waves, which are correctly and accurately resolved in the numerical solution. In the vicinity of rarefaction waves fronts closest to the center, small oscillations of the numerical solution, typical for this problem, are observed. The coordinate dependencies of the density ρ\rho and speed of sound cc demonstrate a small “carbuncle” in the center xc=0.5x_{\rm c}=0.5 of the computational domain. The coordinate dependencies of the densities ρk\rho_{k} and mass concentrations ckc_{k} of the medium components quite accurately repeat the peculiarities of the numerical solution of the problem for the main hydrodynamic quantities. The initial discontinuity in the concentrations of components 11 and 22 spreads out into 22-33 finite element cells.

The solution to the problem with two counterflows, presented in Fig. 5, contains two symmetrical divergent shock waves in the solution. The numerical solution of this test problem, in contrast to the three previous test problems, is characterized by the strongest oscillations of the numerical solution, in the region behind the shock waves. The intensity of non-physical oscillations increases with the degree NN of polynomials used in the numerical scheme, starting from the degree N=3N=3. This is connected, first of all, with the oscillations generated by the WENO scheme, with the order of the polynomials in the reconstruction N3N\geqslant 3. The coordinate dependencies of the densities ρk\rho_{k} and mass concentrations ckc_{k} of the medium components quite accurately repeat the peculiarities of the numerical solution of the problem for the main hydrodynamic quantities.

As a result of the analysis of the obtained numerical solution of these four test problems, it can be concluded that the use of the space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting for simulation of non-stationary compressible multicomponent reactive flows does not lead to the appearance of additional non-physical peculiarities and numerical artifacts in the spatial and temporal dependencies of the components of the medium, except for those that are already characteristic of the original numerical method ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 .

2.3 ZND-detonation waves

Adaptive change in the time step

Obtaining a correct numerical solution using the computational scheme used in this work described above in the case of strongly stiffness of source terms associated with reaction kinetics and energy yield is generally problematic — large and sensitive changes in the reaction rate constants and concentration factors in the reaction rates significantly slow down the convergence of the iterative process of obtaining the discrete space-time solution by the LST-DG predictor and quite often leads to nan, due to a significant change in the values of the source terms even with small variations in the medium parameters — composition ckc_{k}, density ρ\rho, temperature TT (and therefore pressure pp).

An approach similar to the adaptive change in the time step presented in the work chem_kin_hrs_weno was used (a description of the use of such techniques is also presented in the review chem_kin_hrs_rev ). The approach of adaptive change in the time step was applied in the work chem_kin_hrs_weno to the method of the Strang splitting by physical processes, when the full time step was split into two steps — the hydrodynamic step, in which the hydrodynamic characteristics were calculated using a high-precision finite-volume WENO scheme, and the reaction kinetic step, within which the equations of chemical kinetics were solved by the classical third-order total variation diminishing Runge-Kutta method. It is clear that within a single step, this approach of adaptive change in the time step can be implemented, as in the work chem_kin_hrs_weno . However, in this work, the splitting method was not used — in the framework of a full one-step scheme, the entire initial system of equations was solved. Therefore, using the adaptive time step approach requires some modifications to it. Stiffness of the terms of the problem is associated with a significant difference in the time (and spatial) scales of hydrodynamic processes and reaction kinetics, so the scaling factor should be focused on the relative time scales of the processes.

Relative characteristic times τRk\tau^{k}_{R} of the source terms 𝐒\mathbf{S}, normalized to conserved variables 𝐔\mathbf{U}, were chosen as the “rates” of source terms:

(τRk)1=[𝐒]k[𝐔]k,\left(\tau^{k}_{R}\right)^{-1}=\frac{[\mathbf{S}]_{k}}{[\mathbf{U}]_{k}}, (35)

where [𝐔]k[\mathbf{U}]_{k} and [𝐒]k[\mathbf{S}]_{k} is the kk-th component of the vectors of conserved variables 𝐔\mathbf{U} and source terms 𝐒\mathbf{S}; there are no source terms for mass and momentum in the system of equations (1), so the time scales are determined only by the relative rate of energy yield SeS_{e} of the reactions and the relative rates of the reactions 𝐒r\mathbf{S}_{r} in the medium. From the obtained values of the relative characteristic times τRk\tau^{k}_{R}, the minimum value τRmin\tau^{min}_{R} was chosen on the full spatial grid, corresponding to the locally fastest process. The calculation of the minimum value τRmin\tau^{min}_{R} of the relative characteristic time was carried out for all sub-cells of each cell of the spatial grid, and not by analyzing the extrema of the DG-representations of the solution, as in the cases of verifying the DMP (within the framework of the NAC) and calculating the time steps τDGn\tau^{n}_{DG} for the ADER-DG scheme. It should be noted that the relative time scales were chosen from the ratio of the local increment of values to their current state, and not to the rate of hydrodynamic processes (which are determined by flux terms 𝐅\mathbf{F}), so no indirect slowdown of processes is expected. The adaptive factor α\alpha can be obtained by the following formula (modified expression from work chem_kin_hrs_weno ):

α(τDGnτRmin)=(NR1)[1exp(AτDGnτRmin)]+1,\alpha\left(\frac{\tau^{n}_{DG}}{\tau^{min}_{R}}\right)=\left(N_{R}-1\right)\left[1-\exp\left(-A\frac{\tau^{n}_{DG}}{\tau^{min}_{R}}\right)\right]+1, (36)

where the parameter NRN_{R} defines the limit value for reducing the time step; the parameter A>0A>0 is chosen for reasons of stability — the higher the parameter, the faster the step decreases with an increase in the rate of source processes, such as reactions and their energy yield (typical value A=101103A=10^{1}-10^{3} in chem_kin_hrs_weno ). The expression (36) for the factor allows you to accurately track the area of change in the character of processes in the system: in the case of sufficiently slow processes described by the source terms, the condition τDGnτRmin\tau^{n}_{DG}\ll\tau^{min}_{R} is satisfied, which corresponds to the limiting case α(0)=1\alpha(0)=1; in the case of fast processes described by the source terms, when the problem becomes stiff, the condition τDGnτRmin\tau^{n}_{DG}\gg\tau^{min}_{R} is satisfied, which corresponds to the limiting case α()=NR\alpha(\infty)=N_{R}. The dimensionless parameter AA is used to set the width of the transition region of the adaptive factor change. The resulting value of the adapted time step τresn\tau^{n}_{res} was calculated using the value of the adaptive factor α\alpha:

τresn=τDGnα(τDGnτRmin).\tau^{n}_{res}=\frac{\tau^{n}_{DG}}{\alpha\left(\frac{\tau^{n}_{DG}}{\tau^{min}_{R}}\right)}. (37)

The resulting value of the adapted time step τresn\tau^{n}_{res} was used both for the ADER-DR scheme and for the ADER-WENO-FV scheme. To obtain the results of calculations of detonation waves in two-component medium with model kinetics presented below, the values of the parameters A=1.0A=1.0 and NR=100N_{R}=100 were used.

It is necessary to add information that, in the case of using the strategy of adaptive mesh refinement ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 , the use of adaptive change in the time step can be realized within the framework of the strategy of local time stepping; at the same time, information about the strongly stiffness of source terms of local flow regions can be used within the framework of an indicator function that determines the performance of procedures for refining/coarse grid cells.

Formulation of the problem and the results obtained

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Figure 6: Reference solution of the problem of the formation of a detonation wave in a two-component medium with a “slow” reaction: the solution is obtained using the numerical scheme ADER\mathrm{ADER}-DG\mathrm{DG}-1\mathbb{P}_{1} with 32003200 cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d) and mass concentrations ckc_{k} (e1-e2) of individual components kk of the two-component medium, at the times t=0t=0 (initial conditions), 0.01, 0.05, 0.10, 0.20, 0.300.01,\ 0.05,\ 0.10,\ 0.20,\ 0.30 and 0.40.4 (tfinalt_{\rm final}).
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Figure 7: Reference solution of the problem of the formation of a detonation wave in a two-component medium with a “fast” reaction: the solution is obtained using the numerical scheme ADER\mathrm{ADER}-DG\mathrm{DG}-1\mathbb{P}_{1} with 32003200 cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d) and mass concentrations ckc_{k} (e1-e2) of individual components kk of the two-component medium, at the times t=0t=0 (initial conditions), 0.01, 0.05, 0.10, 0.20, 0.300.01,\ 0.05,\ 0.10,\ 0.20,\ 0.30 and 0.40.4 (tfinalt_{\rm final}).
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Figure 8: Numerical solution of the problem of the formation of a detonation wave in a two-component medium with a “slow” reaction (weak stiff case, a detailed statement of the problem is presented in the text), using the computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-5\mathbb{P}_{5} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO4\mathrm{WENO}4 finite volume limiter, on a coordinate mesh with 400400 finite element cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d), densities ρk=ρck\rho_{k}=\rho c_{k} (e1-e2) and mass concentrations ρk=ρck\rho_{k}=\rho c_{k} (f1-f2) of individual components kk of the two-component medium, at the final time tfinal=0.4t_{\rm final}=0.4. The black square symbols represent the numerical solution; the red solid lines represents the exact reference solution of the problem.
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Figure 9: Numerical solution of the problem of the formation of a detonation wave in a two-component medium with a “fast” reaction (strong stiff case, a detailed statement of the problem is presented in the text), using the computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-5\mathbb{P}_{5} with a posteriori limitation of the solution by a ADER\mathrm{ADER}-WENO4\mathrm{WENO}4 finite volume limiter, on a coordinate mesh with 400400 finite element cells. The graphs show the coordinate dependencies of pressure pp (a), density ρ\rho (b), flow velocity uu (c), sound speed cc (d), densities ρk=ρck\rho_{k}=\rho c_{k} (e1-e2) and mass concentrations ρk=ρck\rho_{k}=\rho c_{k} (f1-f2) of individual components kk of the two-component medium, at the final time tfinal=0.4t_{\rm final}=0.4. The black square symbols represent the numerical solution; the red solid lines represents the exact reference solution of the problem.
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Figure 10: Troubled cells indicator β\beta: 0 — normal cell, 11 — troubled cell, for numerical solution of the problem of the formation of a detonation wave in a two-component medium with a “slow” reaction (weak stiff case). The graphs show the coordinate dependencies of troubled cells indicator β\beta at the final time tfinal=0.4t_{\rm final}=0.4 for computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-2\mathbb{P}_{2} (a), ADER\mathrm{ADER}-DG\mathrm{DG}-3\mathbb{P}_{3} (b), ADER\mathrm{ADER}-DG\mathrm{DG}-4\mathbb{P}_{4} (c) and for reference solution (c): ADER\mathrm{ADER}-DG\mathrm{DG}-1\mathbb{P}_{1} with 32003200 cells.
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Figure 11: Troubled cells indicator β\beta: 0 — normal cell, 11 — troubled cell, for numerical solution of the problem of the formation of a detonation wave in a two-component medium with a “fast” reaction (strong stiff case). The graphs show the coordinate dependencies of troubled cells indicator β\beta at the final time tfinal=0.4t_{\rm final}=0.4 for computational scheme ADER\mathrm{ADER}-DG\mathrm{DG}-2\mathbb{P}_{2} (a), ADER\mathrm{ADER}-DG\mathrm{DG}-3\mathbb{P}_{3} (b), ADER\mathrm{ADER}-DG\mathrm{DG}-4\mathbb{P}_{4} (c) and for reference solution (c): ADER\mathrm{ADER}-DG\mathrm{DG}-1\mathbb{P}_{1} with 32003200 cells.

As a test example of the flow of a multicomponent medium with chemical reactions, a model frac_steps_detwave_sim_2000 of the formation and propagation of a detonation wave in media with discrete ignition temperature kinetics model was chosen. In work ader_stiff_2 , this model was used as an example of the study of viscous flow with chemical reactions. The original work frac_steps_detwave_sim_2000 describes in detail the problems that one has to face when solving such problems in the framework of the methods of splitting into physical processes and fractional steps. In particular, due to significant differences in the times of the processes occurring in the medium associated with hydrodynamic flow and chemical reactions, it is often impossible to obtain a correct numerical solution in principle. The reagent “quickly” burns out, while the correct distribution of the released energy does not occur. As a result, a stationary, in the reference frame accompanying the detonation front, ZND (Zel’dovich, von Neumann, and Döring) structure of a CJ (Chapman-Jouguet) detonation wave does not arise in the numerical solution, in particular, it is not possible to obtain the correct propagation velocity of the detonation wave — the non-stationary two-wave structure is formed, where the shock wave has a higher propagation velocity than is assumed by the conditions of stationary detonation. The work frac_steps_detwave_sim_2000 proposes a rather complicated (both from the standpoint of universality, and from the standpoint of modifications to the original numerical method) method for obtaining the correct solution using splitting by physical processes. The work chem_kin_hrs_weno notes the existence of such problems, as a result of which it presents the results of a comparison with the “standard” numerical splitting scheme, in which it is not possible to correctly resolve the motion of a detonation wave in the flow.

In this work, the space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting is used for simulation of non-stationary compressible multicomponent reactive flows without using the splitting method — hydrodynamic processes are considered simultaneously with the kinetics of chemical reactions. The only modification compared to the classic original method ader_dg_ideal_flows is the inclusion of the method of adaptive change in the time step.

The problem statement was chosen similarly to the problem in the works frac_steps_detwave_sim_2000 ; ader_stiff_2 . The spatial domain of the flow was chosen as x[0.0,1.0]x\in[0.0,1.0]. The initial discontinuity was located at the coordinate xc=0.5x_{\rm c}=0.5. The initial conditions were chosen in the form: to the left of the discontinuity ρL=1.4\rho_{L}=1.4, uL=0.0u_{L}=0.0, pL=1.0p_{L}=1.0; to the right of the discontinuity ρR=0.887565\rho_{R}=0.887565, uR=0.57735u_{R}=-0.57735, pR=0.191709p_{R}=0.191709. The medium is chosen as a two-component one, with a monomolecular reaction A1A2A_{1}\rightarrow A_{2}, where the first component A1A_{1} is the reaction reagent, the second component A2A_{2} is the reaction product. To the left of the discontinuity, the gas was assumed to be burnt, with mass concentrations c1,L=0c_{1,L}=0, c2,L=1c_{2,L}=1; to the right of the discontinuity, the gas was assumed to be unburnt, with mass concentrations c1,R=1c_{1,R}=1, c2,R=0c_{2,R}=0. The final time of the simulation was chosen as tfinal=0.4t_{\rm final}=0.4. The discrete ignition temperature kinetics model was represented by the reaction rate constant in the following form:

k(T)={1τ0,ifTTign,0,T<Tign,\displaystyle k(T)=\left\{\begin{array}[]{cl}\frac{1}{\tau_{0}},&\mathrm{if}\,T\geqslant T_{\rm ign},\\[5.69054pt] 0,&T<T_{\rm ign},\end{array}\right. (40)

where TT is the temperature, TignT_{\rm ign} is the ignition temperature, and τ0\tau_{0} is the time scale of the chemical reaction. The ignition temperature was chosen Tign=0.25T_{\rm ign}=0.25. Dimensional scales and parameters of medium (such as molar mass μ\mu) are chosen such that T=p/ρT=p/\rho. The specific energy yield was chosen q0=1q_{0}=1. In this work, two tests were considered, the parameters for which were chosen similarly to the work ader_stiff_2 : τ0=0.1\tau_{0}=0.1 (“slow” reaction) and τ0=4103\tau_{0}=4\cdot 10^{-3} (“fast” reaction). The first case corresponds to the classical relation between the time scales of the reacting flow; the second is the case of a high stiffness of the solution. The reference solutions are computed on a fine mesh using a second order ADER-DG-1\mathbb{P}_{1} numerical scheme with ADER\mathrm{ADER}-WENO2\mathrm{WENO}2 limiter on 32003200 cells and are shown in Fig. 7 for the “slow” reaction case and in Fig. 6 for the “fast” reaction case. The reference solution corresponds well to the solution presented in the works frac_steps_detwave_sim_2000 ; ader_stiff_2 .

Numerical schemes ADER-DG-N\mathbb{P}_{N} with the degrees N=1N=1, 22, 33 and 44 of polynomials were investigated. On the boundaries of the spatial domain of the solution, the boundary conditions of the free boundary were set. The sub-cell limiter for the numerical scheme ADER-DG-N\mathbb{P}_{N} was the ADER-WENO (N\mathbb{P}_{N}) finite-volume scheme. The numerical solution was obtained on a mesh with Ncells=400N_{\rm cells}=400 finite-element cells. The Courant number was chosen 𝙲𝙵𝙻_𝚗𝚞𝚖𝚋𝚎𝚛=0.4\mathtt{CFL}\_\mathtt{number}=0.4.

The numerical solution for the non-stiff problem (“slow” reaction case) obtained by the ADER-DG-4\mathbb{P}_{4} numerical scheme and its comparison with the reference solution is shown in Fig. 8. The numerical solution shows well agreement with the reference solution and shows the main peculiarities of the problem solution — a CJ detonation wave arises and demonstrates the main features of the wave structure. Non-physical effects and artifacts of the numerical solution, which are typical for schemes with splitting by physical processes, do not appear.

The numerical solution for the stiff problem (“fast” reaction case) obtained by the ADER-DG-4\mathbb{P}_{4} numerical scheme and its comparison with the reference solution is shown in Fig. 9. The numerical solution shows well agreement with the reference solution. The classical nature of the development of stationary detonation is observed. A classical ZND patterns of the formation and evolution of stationary detonation is observed, such as Zel’dovich spike, with complete burnout of the reagent behind the detonation wave — a spatial region with a high reaction rate appears behind the shock wave front, the energy released as a result of the reaction is correctly redistributed in the flow, forming a stationary detonation structure.

The detonation front practically does not spread, the expansion of the shock wave front occurs by no more than 11-22 finite-element cells. This is characteristic of the solution in both cases. However, it should be noted that in the case of a problem with high stiffness, the magnitude of the peak in numerical solution is smaller than in the case of the reference solution. In this case, the shock wave front itself is somewhat ahead of the shock wave front in the reference solution, by a distance of about 11-33 cells.

In addition to the results obtained in Fig. 10 and Fig. 11 the coordinate dependencies of the indicator β\beta are presented, which determine the “troubled” cells (β=0\beta=0 corresponds to the normal cell, β=1\beta=1 corresponds to the “troubled” cell) in which the solution obtained by the method is recalculated by the limiter. It can be seen that in both cases the problematic cells occupy about 25-35% of the nodes of the spatial grid. Problematic cells located on the right arise due to the passage of a shock wave through them and, as a result, a violation of the monotonically of the numerical scheme occurs. The problematic cells located on the left are related to the discontinuity decay perturbations propagating to the left under the initial conditions.

Conclusion

In this work, the space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on subcells by the finite-volume ADER-WENO limiter was used to simulate non-stationary compressible multicomponent reactive flows. The multicomponent composition of the reacting medium and the reactions occurring in it were described by expanding the original system of Euler equations by a system of non-stationary convection-reaction equations. The use of this method to simulate high stiff problems associated with reactions occurring in a multicomponent medium requires the use of the adaptive change in the time step, for which a suitable formulation was proposed in this paper. The solution of classical test problems based on Riemann problems, generalized to the case of multicomponent medium, was carried out. It is shown that the use of the method in the case of multicomponent medium does not lead to the emergence of new non-physical peculiarities and artifacts of the numerical solution. The solution of the classical problem related to the formation and propagation of a ZND detonation wave is carried out in a non-stiff and high-stiff formulation of the problem. It is shown that the space-time adaptive ADER-DG finite element method with LST-DG predictor and a posteriori sub-cell WENO finite-volume limiting allows simulate such problems without using of splitting in directions and fractional step methods.

As a result of the work carried out, it was shown that the space-time adaptive ADER finite element DG method with a posteriori correction technique of solutions on subcells by the finite-volume ADER-WENO limiter, proposed and developed in the works ader_dg_ideal_flows ; ader_dg_dev_1 ; ader_dg_dev_2 ; ader_weno_lstdg ; ader_dg_diss_flows ; ader_dg_ale ; ader_dg_grmhd ; ader_dg_gr_prd ; ader_dg_PNPM ; PNPM_DG ; ader_dg_eff_impl ; fron_phys ; exahype ; ader_dg_hpc_impl_1 ; ader_dg_hpc_impl_2 ; ader_dg_hpc_impl_3 ; ader_dg_hpc_impl_4 , can be used to simulate flows without using splitting methods.

Declarations

Acknowledgements.
The reported study was support of the Russian Science Foundation grant No. 21-71-00118:
https://rscf.ru/en/project/21-71-00118/. The simulations were supported in through computational resources provided by the Laboratory of Applied Theoretical Physics and Parallel Computation of Dostoevsky OmSU, by the Shared Facility Center “Data Center of FEB RAS” (Khabarovsk) and by Moscow Joint Supercomputer Center of the RAS. I would like to thank Popova A.P. for help in correcting the English text.

Data Availability

The datasets generated during and/or analysed during the current study are available from the corresponding author on reasonable request.

Conflict of interest

The author declares that he has no conflict of interest.

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