• 文献标题:   MOLECULAR DYNAMICS SIMULATION OF THE DEFORMATION BEHAVIOR OF THE GRAPHENE/Al COMPOSITE
  • 文献类型:   Article
  • 作  者:   SAFINA LR, ROZHNOVA EA
  • 作者关键词:   crumpled graphene, al nanoparticle, graphene, al composite, deformation behavior, molecular dynamic
  • 出版物名称:   JOURNAL OF STRUCTURAL CHEMISTRY
  • ISSN:   0022-4766 EI 1573-8779
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1134/S0022476623020087
  • 出版年:   2023

▎ 摘  要

We present the results of the molecular dynamics simulation of the deformation behavior of the graphene/Al composite. Morse potential parameters are considered and selected to describe interactions in the graphene/Al system. It is shown that the keeping at room temperature followed by the hydrostatic compression at 300 K and 600 K enables the preparation of strong composite materials. It is found that the graphene/Al composite formed at 600 K has the maximum strength limit and also demonstrates a high plasticity. It is revealed that due to a weak binding energy between graphene and Al during the deformation treatment, Al nanoparticles tend to coagulate. On the one hand, the occurrence of aluminum nanoparticles enhances the plasticity of the composite, but on the other hand, the composite is further destructed just on these nanoparticles. The obtained results contribute to a better understanding of the formation processes of composites based on crumpled graphene and Al nanoparticles.