Effects of geometry and shape on the mechanical behaviors of silicon nanowires

Molecular dynamics simulations have been performed to investigate the effects of cross section geometry and shape on the mechanical behaviors of silicon nanowires (Si NWs) under tensile loading. The results show that elasticity of <100> rectangular Si NWs depends on their cross section aspect ratios while the elastic limits of <110> and <111> wires show geometry independence. Despite the significant influence of axial orientation, both yield stress and Young's Modulus show the remarkable shape dependence for wires with various regular cross sections. Additionally, underlying mechanism for the geometry and shape effects on mechanical behavior are discussed based on the fundamental energy theory. From energy view, edge energy is the crucial factor that determines shape dependence of the elastic limits.