• 文献标题:   Study on the nanoindentation of polytetrafluoroethylene filled with knitted graphene by MD simulations
  • 文献类型:   Article
  • 作  者:   WANG GQ, ZHAO G, SONG JF, WANG H, DING QJ
  • 作者关键词:   molecular dynamic, knitted graphene, ptfe, nanoindentation
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1016/j.commatsci.2022.111796 EA SEP 2022
  • 出版年:   2022

▎ 摘  要

Knitted graphene with excellent mechanical properties was employed to reinforce polytetrafluoroethylene (PTFE) and their nanoindentation properties were investigated by molecular dynamics simulation. Importantly, the performance of pure PTFE, monolayer graphene (GR) and knitted graphene (KGR) filled PTFE composites were compared based on the extracted morphology, stress and energy to reveal the indentation resistance mechanism of modified materials. The effect of loading depth and environment temperature on nanoindentation was also considered. The simulated results indicated that the indentation resistance of KGR/PTFE composite was superior to others because knitted graphene was able to withstand greater external loads than monolayer gra-phene. The fundamental reason was that the adsorption effect of KGR on the PTFE chains made their composite carry more external force. Both loading depth and ambient temperature also affected the indentation resistance performance, but loading depth had a greater impact than temperature. The inherent mechanism was explored from interaction potential energy.