| Autor: |
Han, Mingjun, Yu, Taotao, Zhang, Yinghe, Chen, Xue, Chen, Xiao-Jia, Peng, Qing, Tang, Ho-Kin |
| Předmět: |
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| Zdroj: |
Journal of Composites Science; Aug2024, Vol. 8 Issue 8, p310, 20p |
| Abstrakt: |
Quasi-hexagonal-phase fullerene (qHPC60) is an asymmetrically ordered arrangement of fullerene in the two-dimensional plane, which has been synthesized recently. In this study, we performed a comprehensive investigation of the anisotropic mechanical properties of a qHPC60/graphene composite by means of molecular dynamics simulations. We assessed the mechanical properties of the 2D torsion-angle fullerene model with three force-fields: AIREBO, REAXFF, and TERSOFF. The results of the uniaxial tensile tests show that while the variations in fracture stress and fracture strain, with respect to pre-crack size, had similar trends for the three force-fields, AIREBO was more sensitive than REAXFF. The presence of cracks degraded the mechanical properties. Simulations of tensile tests on the qHPC60/graphene composite revealed that the graphene substrate significantly increased mechanical strength. Our results suggest qHPC60 holds various promising implications for composites. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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