Atomistic and continuum simulation on extension behaviour of single crystal with nano-holes

Abstract

Two- and three-dimensional molecular dynamics simulations, together with finite element method simulation of continuum mechanics, have been carried out to predict the mechanical properties of a single crystalline metal with nanoholes. The stress concentration near the hole is studied from both atomistic and continuum viewpoints. The decrease in elastic modulus due to the existence of holes, the shape of holes, and the different geometries of arrangement of multiple holes are investigated.