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

C.-Y. Chou (1) , C. Yuan (1) , Chung-Jung Wu (1) , K.-N. Chiang (1)

1 Department of Power Mechanical Engineering

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.

Mots clés: Atomistic Continuum Mechanics Method; Young's Modulus; Poisson's Ratio; Lithium; FEM; ACM

Domaines: Science des matériaux [cond-mat.mtrl-sci]

C.-Y. Chou, C. Yuan, Chung-Jung Wu, K.-N. Chiang. Numerical Simulation of The Mechanical Properties of Nanoscale Metal Clusters Using The Atomistic-Continuum Mechanics Method. ENS 2005, Dec 2005, Paris, France. pp.121-125. ⟨hal-00166994⟩