Title Mesoscale analysis of the equation-free constrained runs initialization scheme Author Leemput, van, Pieter Vanroose, Wim Roose, Dirk Faculty/Department Faculty of Sciences. Mathematics and Computer Science Publication type article Publication 2008 2008 Source (journal) Multiscale modelling & simulation Volume/pages 6(2008) :4 , p. 1234-1255 ISSN 1540-3459 Carrier E Target language English (eng) Full text (Publishers DOI) Affiliation University of Antwerp Abstract Pieter Van Leemput, Wim Vanroose, and Dirk Roose In this article, we analyze the stability, convergence, and accuracy of the constrained runs initialization scheme for a mesoscale lattice Boltzmann model (LBM). This type of initialization scheme was proposed by Gear and Kevrekidis in [J. Sci. Comput., 25 (2005), pp. 1728] in the context of both singularly perturbed ordinary differential equations and equation-free computing. It maps the given macroscopic initial variables to the higher-dimensional space of microscopic/mesoscopic variables. The scheme performs short runs with the microscopic/mesoscopic simulator and resets the macroscopic variables (typically the lower order moments of the microscopic/mesoscopic variables), while leaving the higher order moments unchanged. We use the LBM BhatnagarGrossKrook (BGK) model for one-dimensional reaction-diffusion systems as the microscopic/mesoscopic model. For such systems, we prove that the constrained runs scheme is unconditionally stable and that it converges to an approximation of the slaved state, i.e., the mesoscopic state which is consistent with the macroscopic initial condition. This approximation is correct up to and including the first order terms in the ChapmanEnskog expansion of the LBM. The asymptotic convergence factor is $|1-\omega|$ with $\omega$ the BGK relaxation parameter. The results are illustrated numerically for the FitzHughNagumo system. Furthermore, we use the constrained runs scheme to perform a coarse equation-free bifurcation analysis of this model. Finally, we show that the constrained runs scheme is very similar to the LBM initialization scheme proposed by Mei et al. in [Comput. Fluids, 35 (2006), pp. 855862] when implemented for our model problem, and that our numerical analysis applies to the latter scheme also. Handle