FIG. 7.

Multi-scale coupling of continuum and atomistic solvers: Functional task decomposition between the tightly coupled continuum and atomistic solvers.¹¹ The continuum domain is partitioned into overlapping patches and the patches exchange data via inter-patch communicators. Each patch may have multiple inlets and outlets and may be connected to 1D fractal tree models in order to model boundary conditions for inlets/outlets. Atomistic domains are embedded inside the continuum. Each can be replicated several times to reduce statistical error. Communication between the continuum and atomistic domains is performed consistently through appropriate projection, interpolation, and filtering routines in the continuum to atomistic (C2A) and atomistic to continuum (A2C) operators.¹¹ Reprinted with permission from L. Grinberg, D. A. Fedosov, and G. E. Karniadakis, “Parallel multiscale simulations of a brain aneurysm,” J. Comput. Phys. 244, 131–147 (2013). Copyright 2013 Elsevier B.V.