Atomistic and Continuum Simulations on Tensile Property of a Single Crystal Metal with Nano-holes

Abstract

In this paper, we use Molecular Dynamics and Finite Element Simulations to determine the mechanical properties of single-crystal metal of silver (Ag) with nano-holes. The Lattice Transition method from 3-dimensions into 2-dimentions in molecular dynamics simulation as well as plane stress model in finite element method, is used to lessen the simulation time consuming. Elasticity module reduction due to the existence of holes, their shape and configuration types has been studied. It can be seen that the manner in which the elasticity module is reduced in both the molecular dynamics and finite element simulations are the same; however, it is essential to serve an atomistic simulation to have more exact results.