The applications of meshfree particle methods at the nanoscale

Abstract

Since meshfree particle methods are beneficial in simulating the problems involving extremely large deformations, fractures, etc., these methods become attractive options in multiscale modeling, especially when approaching a large number of atoms. In this paper, we propose preliminary research on applying meshfree particle methods to solve nanoscale problems. A quasicontinuum technique, i.e. the Cauchy-Born rule, is implemented into the meshfree particle methods so continuum approaches for large deformation problems or fracture problems at the nanoscale can be performed. Furthermore, the mesh-free particle methods can be coupled with molecular dynamics via the bridging domain coupling technique. The examples show that the meshfree particle methods can benefit either hierarchical or concurrent multiscale modeling at the nanoscale. © Springer-Verlag Berlin Heidelberg 2005.