Molecular dynamics simulations of the tensile and melting behaviours of silicon nanowires

The tensile and melting behaviours of single crystalline silicon nanowires (SiNWs) are studied using molecular dynamics simulations. The atomic interactions are described using the Stillinger–Weber potential. The tensile test results show that the tensile behaviour of the SiNWs is strongly dependent on the simulation temperature, strain rate, and diameter of the nanowires. The critical load clearly decreases with increasing temperature and with decreasing strain rate, and increases with increasing diameter. Additionally, the melting test results demonstrate that the melting temperature of the SiNWs decreases with decreasing diameter, due to the increase in surface energy. The structural transition of SiNWs with an increasing temperature is also studied.