A Three-Dimensional Atomic-Scale Finite Element Model for a Copper Nano Thin Film Subject to a Uniaxial Tension

Abstract

A three-dimensional atomic-scale finite element model was developed in this paper for simulation of a nano-scale uniaxial tension. First, the Morse’s potential function was used to simulate the forces acting among particles. Furthermore, a non-linear spring and dashpot element with a lumped mass was used to establish an atomic model. The elongation of the spring at fracture was used to simulate the radius of fracture of the atomic link. This method was applied to investigate the proportional tension test of an idealized FCC single crystal copper film along the x direction. The study includes the stress-strain curve, the effect of five categories of atomic distances on the stress-strain curve; and the effect of strain-rate on the stress-strain curve. The results showed that (1)the simulated maximum stress for copper is very close to 30.0GPa, which is also the value of maximum equivalent stress obtained by Lin and Hwang [6], verifying the validity of the calculation of this paper. In the tension test of copper, necking develops gradually and eventually leads to fracture. The simulated deformed material element during each stage of deformation was similar to that simulated by Komanduri et al.[2](2)the influence of =6.2608 on the five categories of atomic distance considered was limited and it may be neglected to save computation time,(3)when the strain-rate was large, the resistance to deformation was also large, leading to an increase in the yield stress and fracture stress.