A unified framework and performance benchmark of fourteen multiscale atomistic/continuum coupling methods

RE Miller, EB Tadmor - … and simulation in materials science and …, 2009 - iopscience.iop.org
Modelling and simulation in materials science and engineering, 2009iopscience.iop.org
A partitioned-domain multiscale method is a computational framework in which certain key
regions are modeled atomistically while most of the domain is treated with an approximate
continuum model (such as finite elements). The goal of such methods is to be able to
reproduce the results of a fully atomistic simulation at a reduced computational cost. In
recent years, a large number of partitioned-domain methods have been proposed.
Theoretically, these methods appear very different to each other making comparison difficult …
Abstract
A partitioned-domain multiscale method is a computational framework in which certain key regions are modeled atomistically while most of the domain is treated with an approximate continuum model (such as finite elements). The goal of such methods is to be able to reproduce the results of a fully atomistic simulation at a reduced computational cost. In recent years, a large number of partitioned-domain methods have been proposed. Theoretically, these methods appear very different to each other making comparison difficult. Surprisingly, it turns out that at the implementation level these methods are in fact very similar. In this paper, we present a unified framework in which fourteen leading multiscale methods can be represented as special cases.
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