A posteriori error control for a quasicontinuum approximation of a periodic chain

Abstract

We consider a 1D periodic atomistic model, for which we formulate and analyze an adaptive variant of a quasicontinuum method. We establish a posteriori error estimates for the energy norm and for the energy, based on a posteriori residual and stability estimates. We formulate adaptive mesh refinement algorithms based on these error estimators. Our numerical experiments indicate optimal convergence rates of these algorithms.