S. Karimi

S. Karimi, K. B. Nakshatrala

Developing robust simulation tools for problems involving multiple mathematical scales has been a subject of great interest in computational mathematics and engineering. A desirable feature to have in a numerical formulation for multiscale transient problems is to be able to employ different time-steps (multi-time-step coupling), and different time integrators and different numerical formulations (mixed methods) in different regions of the computational domain. We present two new monolithic multi-time-step mixed coupling methods for first-order transient systems. We shall employ unsteady advection-diffusion-reaction equation with linear decay as the model problem, which offers several unique challenges in terms of non-self-adjoint spatial operator and rich features in the solutions. We shall employ the dual Schur domain decomposition technique to handle the decomposition of domain into subdomains. Two different methods of enforcing compatibility along the subdomain interface will be used in the time discrete setting. A systematic theoretical analysis (which includes numerical stability, influence of perturbations, bounds on drift along the subdomain interface) will be performed. The first coupling method ensures that there is no drift along the subdomain interface but does not facilitate explicit/implicit coupling. The second coupling method allows explicit/implicit coupling with controlled (but non-zero) drift in the solution along the subdomain interface. Several canonical problems will be solved to numerically verify the theoretical predictions, and to illustrate the overall performance of the proposed coupling methods. Finally, we shall illustrate the robustness of the proposed coupling methods using a multi-time-step transient simulation of a fast bimolecular advective-diffusive-reactive system.

S. Karimi, K. B. Nakshatrala

The lattice Boltzmann method (LBM) has established itself as a valid numerical method in computational fluid dynamics. Recently, multiple-relaxation-time LBM has been proposed to simulate anisotropic advection-diffusion processes. The governing differential equations of advective-diffusive systems are known to satisfy maximum principles, comparison principles, the non-negative constraint, and the decay property. In this paper, it will be shown that current single- and multiple-relaxation-time lattice Boltzmann methods fail to preserve these mathematical properties for transient diffusion-type equations. It will also be shown that the discretization of Dirichlet boundary conditions will affect the performance of lattice Boltzmann methods in meeting these mathematical principles. A new way of discretizing the Dirichlet boundary conditions is also proposed. Several benchmark problems have been solved to illustrate the performance of lattice Boltzmann methods and the effect of discretization of boundary conditions with respect to the aforementioned mathematical properties for transient diffusion and advection-diffusion equations.