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    ABSTRACT

    On the molecular dynamics analysis of defect effect on mechanical properties and fracture behaviors of carbon nanotubes

    Hsien-Chie Cheng1, Yu-Chen Hsu2, Wen-Hwa Chen2

    The International Conference on Computational & Experimental Engineering and Sciences, Vol.12, No.2, pp. 73-74, 2009, DOI:10.3970/icces.2009.012.073

    Abstract Due to the limitation of fabrication technologies nowadays, initial defects in carbon nanotubes (CNTs) are inevitably perceived particularly during the manufacturing process or chemical treatment. The investigation of the effects of initial defects existing in CNTs on their mechanical properties and fracture behaviors becomes essential for their potentiality in engineering applications.
    In this study, the defect effects, including number in percentage, type, and location, are explored using the molecular dynamics (MD) simulation with Tersoff Brenner potential. Results show that the mechanical properties, such as the elastic modulus, failure strength and strain, are strongly affected by the… More >

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