An Analysis of Node-Based Cluster Summation Rules in the Quasicontinuum Method

Abstract

We investigate two examples of node-based cluster summation rules that have been proposed for the quasicontinuum method: a force-based approach (Knap & Ortiz, J. Mech. Phys. Solids 49, 2001), and an energy-based approach which is a generalization of the non-local quasicontinuum method (Eidel & Stukowski, J. Mech. Phys. Solids, to appear). We show that, even for the case of nearest neighbour interaction in a one-dimensional periodic chain, both of these approaches create large errors when used with graded and, more generally, non-smooth meshes. These errors cannot be removed by increasing the cluster size. We offer some suggestions how the accuracy of (cluster) summation rules may be improved.