Self-healing of fractured one dimensional brittle nanostructures

Recent experiments have shown that fractured GaAs nanowires can heal spontaneously inside a transmission electron microscope. Here we perform molecular-dynamics simulations to investigate the atomic mechanism of this self-healing process. As the distance between two fracture surfaces becomes less than 1.0 nm, a strong surface attraction is generated by the electrostatic interaction, which results in Ga–As re-bonding at the fracture site and restoration of the nanowire. The results suggest that self-healing might be prevalent in ultrathin one-dimensional nanostructures under near vacuum conditions

Self-healing in fractured GaAs nanowires

Molecular dynamics simulations are performed to investigate a spontaneous self-healing process in fractured GaAs nanowires with a zinc blende structure. The results show that such self-healing can indeed occur via rebonding of Ga and As atoms across the fracture surfaces, but it can be strongly influenced by several factors, including wire size, number of healing cycles, temperature, fracture morphology, oriented attachment and atomic diffusion. For example, it is found that the self-healing capacity is reduced by 46% as the lateral dimension of the wire increases from 2.3 to 9.2 nm, and by 64% after 24 repeated cycles of fracture and healing. Other factors influencing the self-healing behavior are also discussed