Exploring the evolution mechanisms of indentation and scratching on diamond structural transformation based on molecular dynamics

H Tong and Y Yang and YH Liu and XW Wang and YY Luo and H Zhang and DB Mao, MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 32, 045015 (2024).

DOI: 10.1088/1361-651X/ad3e9a

Diamond, possessing high hardness and chemical stability, finds wide- ranging applications across various industries. However, during the friction process, a graphitization phenomenon may occur, which changes the mechanical properties of the diamond. In this study, molecular dynamics simulation was performed using SiC ball to investigate the influence of indentation depth and temperature on the graphitization transition of the diamond surface. The results showed that the dominant factor affecting the sp2 hybridization ratio during the indentation process was stress, while the temperature was the dominant factor during sliding. The results of this study can be used to understand the friction and wear behavior of diamonds and SiC ball and provide theoretical references for the industrial application of diamonds.

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