The microstructure evolution of graphene in nanoindentation G/WC-Co based on molecular dynamics simulation

作者：Ding, Yezhang; Li, Duosheng^*; Xu, Feng^*; Lang, Wenchang; Qin, Qing H.^*; Ye, Zhiguo; Liu, Junhong; Wen, Xin

来源：Diamond and Related Materials, 2024, 141: 110729.

DOI：10.1016/j.diamond.2023.110729

• Molecular dynamics
• Nanoindentation
• Graphene
• Cemented carbide
• Diamond-like film (DLC)

In this paper, nanoindentation processes of graphene nanocoating reinforced cemented carbide (G/WC-Co) is simulated using molecular dynamics method, from which the effect of the relative position of the indenter and Co on the mechanical properties of G/WC-Co is investigated. Visualization techniques are employed to reveal the microstructure evolutionary behavior of graphene during the nanoindentation process. The results show that the loading force of cemented carbide with graphene nanocoating during nanoindentation is 18.2050 mu N, which is 135.47 % higher compared to 7.7312 mu N, the loading force of bare cemented carbide. At a nanoindentation of 8.3 angstrom, sp3 bond increases sharply in graphene, which results in the transformation of graphene into diamond-like carbon (DLC). The simulation results indicate that at the beginning of nanoindentation, the substrate exhibits significant loading resistance due to the high shear modulus of graphene itself. With the further development of nanoindentation, graphene ruptures, and part of graphene evolves to form DLC film, which enhances mechanical property of cemented carbide substrate.

• 单位
  南京航空航天大学; 南昌航空大学