• 文献标题:   Effect of interfacial bonding on dislocation strengthening in graphene nanosheet reinforced iron composite: A molecular dynamics study
  • 文献类型:   Article
  • 作  者:   WANG L, JIN JF, YANG PJ, LI SJ, TANG SA, ZONG YP, PENG Q
  • 作者关键词:   graphene, interfacial strength, graphene/fe composite, molecular dynamic, interatomic potential
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:  
  • 被引频次:   9
  • DOI:   10.1016/j.commatsci.2021.110309 EA FEB 2021
  • 出版年:   2021

▎ 摘  要

It is uncertain that the interfacial bonding is whether a strong chemical bond or a weak van der-Waals one in graphene-metal composites. The effect of interfacial bonding features on dislocation strengthening are still obscure. Herein, we have investigated the mechanical response and dislocation behaviors of graphene/Fe composite using molecular dynamics simulations. Lennard-Jones and embedded-atom typed potential is employed to model a weak and strong interfacial bonding, respectively. We have considered anisotropy in three cases where a pair of graphene nanosheet (GN) were placed on three orthogonal ({110}, {111} and {112}) plane. When the dislocation is directly blocked by the GN, the yield stress of the strong-bonded composite is higher than that of the weak-bonded one. After the dislocation depins from the strong-bonded {112} GN, the Orowan loop is formed without surface step, in contrast to that in the weak-bonded one. For the {111} GN/Fe, the dislocation bypasses the GN pair in the strong-bonded composite, where double cross-slip and dislocation neutralization on the top {110} slip plane occur opposed to the middle {110} plane in the weak-bonded case.