Efficient bound preserving and asymptotic preserving semi-implicit schemes for the fast reaction-diffusion system (2404.18463v1)
Abstract: We consider a special type of fast reaction-diffusion systems in which the coefficients of the reaction terms of the two substances are much larger than those of the diffusion terms while the diffusive motion to the substrate is negligible. Specifically speaking, the rate constants of the reaction terms are $O(1/\epsilon)$ while the diffusion coefficients are $O(1)$ where the parameter $\epsilon$ is small. When the rate constants of the reaction terms become highly large, i.e. $\epsilon$ tends to 0, the singular limit behavior of such a fast reaction-diffusion system is inscribed by the Stefan problem with latent heat, which brings great challenges in numerical simulations. In this paper, we adopt a semi-implicit scheme, which is first-order accurate in time and can accurately approximate the interface propagation even when the reaction becomes extremely fast, that is to say, the parameter $\epsilon$ is sufficiently small. The scheme satisfies the positivity, bound preserving properties and has $L2$ stability and the linearized stability results of the system. For better performance on numerical simulations, we then construct a semi-implicit Runge-Kutta scheme which is second-order accurate in time. Numerous numerical tests are carried out to demonstrate the properties, such as the order of accuracy, positivity and bound preserving, the capturing of the sharp interface with various $\epsilon$ and to simulate the dynamics of the substances and the substrate, and to explore the heat transfer process, such as solid melting or liquid solidification in two dimensions.
- R. Anguelov and J. M.-S. Lubuma. Contributions to the mathematics of the nonstandard finite difference method and applications. Numerical Methods for Partial Differential Equations: An International Journal, 17(5):518–543, 2001.
- A moving mesh finite element method for the solution of two-dimensional Stefan problems. Journal of Computational Physics, 168(2):500–518, 2001.
- High order semi-implicit schemes for time dependent partial differential equations. Journal of Scientific Computing, 68:975–1001, 2016.
- J. Caldwell and Y. Y. Kwan. Numerical methods for one-dimensional Stefan problems. Communications in numerical methods in engineering, 20(7):535–545, 2004.
- A simple level set method for solving Stefan problems. Journal of Computational Physics, 135(1):8–29, 1997.
- Exponential time differencing for stiff systems. Journal of Computational Physics, 176(2):430–455, 2002.
- A. W. Date. Novel strongly implicit enthalpy formulation for multidimensional Stefan problems. Numerical Heat Transfer, Part B Fundamentals, 21(2):231–251, 1992.
- Numerical analysis of a first-order in time implicit-symplectic scheme for predator–prey systems. Computers & Mathematics with Applications, 74(5):948–961, 2017.
- A. Esen and S. Kutluay. A numerical solution of the Stefan problem with a Neumann-type boundary condition by enthalpy method. Applied Mathematics and Computation, 148(2):321–329, 2004.
- J. Fernandez-Diaz and W. O. Williams. A generalized Stefan condition. Zeitschrift für angewandte Mathematik und Physik ZAMP, 30:749–755, 1979.
- Vanishing latent heat limit in a Stefan-like problem arising in biology. Nonlinear analysis: real world applications, 4(2):261–285, 2003.
- The fast reaction limit for a reaction–diffusion system. Journal of mathematical analysis and applications, 199(2):349–373, 1996.
- A quantitative description of membrane current and its application to conduction and excitation in nerve. The Journal of physiology, 117(4):500, 1952.
- High-order, linearly stable, partitioned solvers for general multiphysics problems based on implicit–explicit Runge–Kutta schemes. Computer Methods in Applied Mechanics and Engineering, 346:674–706, 2019.
- E. M. Izhikevich and R. FitzHugh. Fitzhugh-nagumo model. Scholarpedia, 1(9):1349, 2006.
- The original michaelis constant: translation of the 1913 Michaelis–Menten paper. Biochemistry, 50(39):8264–8269, 2011.
- P. Kareiva. Population dynamics in spatially complex environments: theory and data. Philosophical Transactions of the Royal Society of London. Series B: Biological Sciences, 330(1257):175–190, 1990.
- Fourth-order time-stepping for stiff PDEs. SIAM Journal on Scientific Computing, 26(4):1214–1233, 2005.
- Smoothing schemes for reaction–diffusion systems with nonsmooth data. Journal of Computational and Applied Mathematics, 223(1):374–386, 2009.
- T. Koto. IMEX Runge–Kutta schemes for reaction–diffusion equations. Journal of Computational and Applied Mathematics, 215(1):182–195, 2008.
- The numerical solution of one-phase classical Stefan problem. Journal of computational and applied mathematics, 81(1):135–144, 1997.
- The numerical solution of one-dimensional phase change problems using an adaptive moving mesh method. Journal of computational Physics, 161(2):537–557, 2000.
- A. Madzvamuse. Time-stepping schemes for moving grid finite elements applied to reaction–diffusion systems on fixed and growing domains. Journal of computational physics, 214(1):239–263, 2006.
- A. Madzvamuse and A. H. W. Chung. Fully implicit time-stepping schemes and non-linear solvers for systems of reaction–diffusion equations. Applied Mathematics and Computation, 244:361–374, 2014.
- R. McFadden and C. S. Kwok. Mathematical model of simultaneous diffusion and binding of antitumor antibodies in multicellular human tumor spheroids. Cancer research, 48(14):4032–4037, 1988.
- A. M. Meirmanov. The stefan problem, volume 3. Walter de Gruyter, 2011.
- R. E. Mickens. Nonstandard finite difference schemes: methodology and applications. World Scientific, 2020.
- B. Perthame. Parabolic equations in biology. Springer, 2015.
- J. Stefan. Über das gleichgewicht und die bewegung, insbesondere die diffusion von gasgemengen. Sitzungsberichte der Mathematisch-Naturwissenschaftlichen Classe der Kaiserlichen Akademie der Wissenschaften Wien, 63:63–124, 1871.
- M. Tong and D. J. Browne. Smoothed particle hydrodynamics modelling of the fluid flow and heat transfer in the weld pool during laser spot welding. IOP Conference Series: Materials Science and Engineering, 27(1):012080, 2012.
- J. J. Tyson. The belousov-zhabotinskii reaction, volume 10. Springer Science & Business Media, 2013.
- Third order implicit–explicit Runge–Kutta local discontinuous Galerkin methods with suitable boundary treatment for convection–diffusion problems with Dirichlet boundary conditions. Journal of Computational and Applied Mathematics, 342:164–179, 2018.
- P. J. Wangersky. Lotka-Volterra population models. Annual Review of Ecology and Systematics, 9(1):189–218, 1978.
- Uncertainty quantification of phase transition problems with an injection boundary. arXiv preprint arXiv:2402.02806, 2024.