We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC)coupling method for problems with point defects. Near the defect core themethod employs a potential-based atomistic model, which enables accuratesimulation of the defect. Away from the core, where site energies become nearlyindependent of the lattice position, the method switches to a more efficientcontinuum model. The two models are merged by minimizing the mismatch of theirstates on an overlap region, subject to the atomistic and continuum forcebalance equations acting independently in their domains. We prove that theoptimization problem is well-posed and establish error estimates.
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