Numerical Simulation of The Mechanical Properties of Nanoscale Metal Clusters Using The Atomistic-Continuum Mechanics Method

A novel atomistic-continuum method (ACM) based on finite element method (FEM) is proposed to numerically simulate the nano-scaled Poisson’s ratio and Young’s modulus effect of Lithium (Li) body-centered cubic (BCC) structure. The potential energy between Li atoms is described by the Morse potential function [1]. The pre-force effect will be discussed due to the different Li lattice length between experimental lattice constant and diatom distance from Morse function. Moreover, the size effect of the nano-scaled Li cluster will be introduced.