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

TL;DR

This paper introduces a new atomistic-continuum method based on FEM to simulate the mechanical properties of nanoscale lithium clusters, accounting for size effects and atomic interactions.

Contribution

It presents a novel ACM approach combining FEM with atomistic modeling to analyze nano-scale metal clusters, specifically lithium BCC structures.

Findings

Effect of nano-scale size on Poisson's ratio and Young's modulus

Influence of lattice length differences on pre-force effects

Size-dependent mechanical property variations

Abstract

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.