Temperature and strain-rate dependent fracture strength of graphynes

Ying-Yan Zhang, Qing-Xiang Pei, Yiu-Wing Mai, Yuan-Tong Gu

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    63 Citations (Scopus)

    Abstract

    Graphyne is an allotrope of graphene. The mechanical properties of graphynes (α-, β-, γ- and 6,6,12-graphynes) under uniaxial tension deformation at different temperatures and strain rates are studied using molecular dynamics simulations. It is found that graphynes are more sensitive to temperature changes than graphene in terms of fracture strength and Young's modulus. The temperature sensitivity of the different graphynes is proportionally related to the percentage of acetylenic linkages in their structures, with the α-graphyne (having 100% of acetylenic linkages) being most sensitive to temperature. For the same graphyne, temperature exerts a more pronounced effect on the Young's modulus than fracture strength, which is different from that of graphene. The mechanical properties of graphynes are also sensitive to strain rate, in particular at higher temperatures.
    Original languageEnglish
    Article number425301
    Pages (from-to)1-7
    Number of pages7
    JournalJournal of Physics D: Applied Physics
    Volume47
    Issue number42
    DOIs
    Publication statusPublished - 2014

    Keywords

    • graphyne
    • mechanical properties
    • modular dynamics

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