Atomistic Simulation of the Buckling Behavior of Metal Nanorod

Abstract

The approach of molecular dynamics simulation is one of the most promising methods for investigating the mechanical behavior of nanostructures, such as nanorods and nanowires, which are used to design nano-devices. The mechanical behavior of a copper nanorod subjected to axial compressive force is simulated using the embedded atom method (EAM). The results obtained show that the mechanical behavior in nanoscale is very different from that in macrosclae. This is due to size and surface effects. It has been found that when the external axial force is below certain critical value, the nanorod contracts in length. However, when the force reaches the critical value, the rod exhibits transverse bending, which is known as buckling. After reaching the critical value, the nanorod is able to withstand further increase in external loading and remains stable, which is so called post-buckling. When the external loading is too big, the nanorod collapses.