3D-MD/FEM combined model for a simulation of micro-indentation process

Abstract

A three dimensional molecular dynamics (MD) model combined with a finite element method (FEM) is proposed. In the connecting area of the model, the displacement of a node in FEM model is given by the average displacement of atoms around the node in MD model. On the other hand, the force generated at a node in FEM model is divided among the atoms around the node in MD model. Using the model proposed, micro-indentation process was successfully analyzed.