Analysis of the quasi-nonlocal quasicontinuum approximation of the embedded atom model
X. H. Li and M. Luskin
International Journal for Multiscale Computational Engineering, 10, 33–49 (2012).
X. H. Li and M. Luskin
International Journal for Multiscale Computational Engineering, 10, 33–49 (2012).
ABSTRACT
The quasi-nonlocal quasicontinuum method (QNL) is a consistent hybrid coupling method for atomistic and continuum models. Embedded atom models are empirical many-body potentials that are widely used for fcc metals such as copper and aluminum. In this paper, we consider the QNL method for EAM potentials and give a stability and error analysis for a chain with next-nearest-neighbor interactions. We identify conditions for the pair potential, electron density function, and embedding function so that the
lattice stability of the atomistic and EAM-QNL models are asymptotically equal.