Molecular dynamics simulation on the buckling behavior of GaN nanowires under uniaxial compression

Molecular dynamics simulation is one of the most promising methods for investigating the mechanical behavior of nanostructures, such as nanowires and nanotubes. Atomistic simulations are performed to investigate the buckling properties of [0 0 1]-, [1 1¯ 0]-, and [1 1 0]-oriented GaN nanowires under uniaxial compression; these three types of nanowires correspond to experimentally synthesized nanowires. The effects of simulation temperature and wire length on the buckling behavior are investigated. The simulation results show that critical stress decreases with the increase of wire length, which is in agreement with the Euler theory. Buckling occurs as a result of dynamic processes; buckling strain (and corresponding stress) decreases as temperature is increased.