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Self-healing of GaAs nanowires: An atomistic study

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2012
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Conference Paper

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Wang, Jun and Lu, Chunsheng and Wang, Qi and Xiao, Pan and Ke, Fujiu and Bai, Yilong and Shen, Yaogen and Wang, Yanbo and Chen, Bin and Liao, Xiaozhou and Gao, Huajian. 2012. Self-healing of GaAs nanowires: An atomistic study, in Proceedings of The 23rd International Congress of Theoretical and Applied Mechanics (ICTAM2012), Aug 19-24 2012. Beijing, China: The Chinese Society of Theoretical and Applied Mechanics.
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The 23rd International Congress of Theoretical and Applied Mechanics (ICTAM2012)
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The 23rd International Congress of Theoretical and Applied Mechanics (ICTAM2012)
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Department of Mechanical Engineering
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Abstract

Fractured GaAs nanowires (NWs) with a zinc-blende structure can spontaneously self-heal throughout Ga–As re-bonding at fracture sites. In this paper, a systematic molecular dynamics study has been made with focus on the influence of lateral dimensions of GaAs NWs, multiple fractures and atomistic diffusion on the self-healing process. The results show that, as the lateral dimension increases from 2.31 to 9.23 nm, GaAs NWs lose their 46.0% capacity of self-healing. After 24 repeated cycles of fracture, the restored tensile strength of a NW reduces by 64.4%. Atomistic diffusion enhances the healing efficiency by eliminating mismatch of atoms.