Mechanical Characterization of III-V Nanowire Using Molecular Dynamics Simulation

Abstract

Mechanical stiffness and density of III-V (GaAs) nanowire (NW) are studied by atomistic simulation in the , and directions. Series of molecular models are established and mechanical characteristics of the crystal orientations are considered. The simulation results indicate that the NW exhibits highest structural stiffness in the direction. We also found that GaAs NW exhibits mechanical linearity under 2GPa stress. Moreover, a qualitative comparison of simulation and other calculated results is carried out, and a good agreement is established.