Self-healing in fractured GaAs nanowires
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NOTICE: this is the author’s version of a work that was accepted for publication in Acta Materialia. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Acta Materialia, Volume 60, Issue 15, September 2012, Pages 5593-5600. http://dx.doi.org/10.1016/j.actamat.2012.07.013
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.
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Wang, Jun; Lu, Chunsheng; Wang, Q.; Xiao, P.; Ke, F.; Bai, Y.; Shen, Y.; Wang, Y.; Chen, B.; Liao, X.; Gao, H. (2012)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 ...
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