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Mechanism of local stress release in armchair single-wall zinc oxide nanotube under tensile loading

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Abstract

The deformation mechanism of zinc oxide (ZnO) nanotube has been first examined by molecular dynamics. The result demonstrated that ZnO nanotubes relax it excess strain via the phase transformation from an armchair structure to a fourfold-coordinated structure, then to a zigzag structure, which is started by a slip deformation. In contrast to carbon, silicon carbide, and boron nitride nanotubes, they relax it local stress via the transformation of the Stone–Wales transformation. After yielding, the 8-4 dislocation loops are found and the numbers of 8-4 dislocation loops grow up, which relax the tensile strain at the necking region and leads the work hardening. Finally, the nanotube is broken down by crack deformation at the interface between different phases.

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Acknowledgment

The authors would like to thank (1) the National Science Council of Taiwan, under Grant No. NSC99-2628-E-110-004- and NSC99-2911-I-110-512 and (2) the National Center for High-performance Computing, Taiwan, for supporting this study.

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Authors and Affiliations

  1. National Center for High-Performance Computing, No. 28, Nan-Ke Third Road, Hsin-Shi, Tainan 744, Taiwan

    Wen-Jay Lee & Jee-Gong Chang

  2. Department of Mechanical and Electro-Mechanical Engineering, Center for Nanoscience and Nanotechnology, National SunYat-sen University Kaohsiung, Kaohsiung 804, Taiwan

    Shin-Pon Ju & Chia-Hung Lee

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  1. Wen-Jay Lee
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  2. Jee-Gong Chang
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  3. Shin-Pon Ju
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Correspondence to Shin-Pon Ju.

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Lee, WJ., Chang, JG., Ju, SP. et al. Mechanism of local stress release in armchair single-wall zinc oxide nanotube under tensile loading. J Nanopart Res 13, 4749–4756 (2011). https://doi.org/10.1007/s11051-011-0445-5

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  • DOI: https://doi.org/10.1007/s11051-011-0445-5

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