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

作者：Hua Tong, Yue Yang, Yunhai Liu, Xiaowen Wang, Yiyao Luo, Hu Zhang, Dongbi Mao · 发表于：Modelling and Simulation in Materials Science and Engineering · 年份：2024 · DOI：10.1088/1361-651x/ad3e9a · 被引用次数：4 · 研究领域：Diamond and Carbon-based Materials Research、Advanced Surface Polishing Techniques、Metal and Thin Film Mechanics

Abstract 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 sp 2 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.