• 文献标题:   Effects of temperature, strain rate and molecule length on the deformation of graphene/polyethylene composites: A molecular dynamics simulation
  • 文献类型:   Article
  • 作  者:   LI JY, ZHAO JQ, REN PJ, DONG H, MENG B, HU SQ
  • 作者关键词:   graphene, polyethylene, composite, deformation, molecular dynamics simulation
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   China Univ Petr
  • 被引频次:   5
  • DOI:   10.1016/j.cplett.2019.04.037
  • 出版年:   2019

▎ 摘  要

Molecular dynamics simulations are used to investigate the effects of temperature, strain rate and molecule length on the deformation of graphene/polyethylene composites. At higher temperature, the host molecules move easily to fit the strain during the deformation. When the strain rate is lower, atoms in the composite model are more relaxed to fit the strain, thus the yield stress of the composite model is smaller than that at a higher strain rate. Due to the longer the length of molecules, the relative movement between molecules is more difficult with the increase of the strain, resulting in a larger yield stress.