• 文献标题:   Strengthening and failure of iron-graphene composites: A molecular dynamics study
  • 文献类型:   Article
  • 作  者:   RAPP D, HOCKER S, LIPP H, SCHMAUDER S
  • 作者关键词:   graphene, fe basis composite, strengthening, molecular dynamic
  • 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.2023.112247 EA MAY 2023
  • 出版年:   2023

▎ 摘  要

In order to contribute to the understanding of advanced materials with improved mechanical properties we investigate strengthening and failure processes in iron-graphene composites using molecular dynamics simulations. Graphene sheets are embedded in {110} planes of bulk iron. Tensile tests and shear tests are conducted and evaluated with regard to the orientation of the graphene sheet. It is found that two different failure mechanisms involving interfacial fracture and dislocation nucleation can occur due to tensile load. The shear tests revealed three mechanisms of dislocation-obstacle interaction. The highest strengthening was found for graphene sheet orientations which normal vectors are not orthogonal to the Burgers vector of the interacting dislocation.