Mechanical properties of kinked silicon nanowires

Molecular dynamics simulations are used to investigate the mechanical properties of KSiNWs. Our results show that KSiNWs have a much larger fracture strain compared to straight SiNWs. The effects of the periodic length of KSiNWs with symmetric arms and the arm length of the KSiNW with asymmetric arms on the mechanical properties of KSiNWs are studied. The fracture stress of KSiNWs decrease as the periodic length increases. However, the fracture strain of KSiNWs is not dependent on the short periodic length and the fracture strain of KSiNWs will abruptly increase to very large value and then vary slightly as the periodic length increases. In addition, the fracture stress is not dependent on arm length while the fracture strain monotonically increases as the arm length increases. We also investigate the fracture process of KSiNWs. The results in this paper suggest that the KSiNWs with larger fracture strain can be a promising anode materials in high performance Li-ion batteries.