Cap effect on pull-out behavior of CNT in CNT-reinforced nanocomposites

Ning Hu, Yuan Li, Sen Liu

    Research output: Contribution to conferencePaperpeer-review


    Systematic atomic simulations based on molecular mechanics are carried out to investigate the pull-out behavior of carbon nanotubes (CNTs) in CNT-reinforced nanocomposites. In contrast with open-ended CNT, capped CNT is incorporated into the current computational model to explore the effect of the CNT cap for the first time. Two common cases are discussed: The pull-out of a whole CNT from a polymer matrix in a CNT/Polymer nanocomposite, and the pull-out of the broken outer walls against the intact inner walls of a CNT (i.e., sword-in-sheath mode) in a CNT/Alumina nanocomposite. By analyzing the obtained relationship between energy increment and pull-out displacement, a set of simple empirical formulae is proposed to predict the corresponding pull-out force from the nanotube diameter. The obtained pull-out force agrees well with experimental measurement. Moreover, the much higher pull-out force in the case of capped CNT than that of open-ended CNT implies a great contribution of the CNT cap to the interfacial properties of CNT-reinforced nanocomposite. This finding provides valuable insight into designing nanocomposites with desirable mechanical properties.

    Original languageEnglish
    Number of pages10
    Publication statusPublished - 2013 Jan 1
    Event13th International Conference on Fracture 2013, ICF 2013 - Beijing, China
    Duration: 2013 Jun 162013 Jun 21


    Other13th International Conference on Fracture 2013, ICF 2013


    • Carbon nanotube
    • Mechanical properties
    • Nanocomposites
    • Pull-out behavior

    ASJC Scopus subject areas

    • Geotechnical Engineering and Engineering Geology


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