Abstract Molecular dynamics simulation of friction is conducted by sliding SiC hemisphere on diamond bulk. The mechanism of structural transformation and graphitization occurred on diamond surface is investigated, and its dependence on load pressure, temperature and sliding velocity are analyzed. The analyzation of radial distribution function g(r) proves graphitization occurrence of diamond. Contrast results show temperature and stress both promote formation of sp2-hybridized phase while sliding velocity changing brings no difference in amount of phase transformation. Furthermore, existence and change of stress are the key factors to structural transformation and graphitization. Finally, actual friction test with different loading force is carried out. The comparative Raman results give evidence that more graphite content is detected in the friction test with higher loading force of 7 N than that with loading force of 2 N.

中文翻译：

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金刚石摩擦过程中结构转变和石墨化的分子动力学模拟和实验研究

摘要 通过在金刚石块体上滑动碳化硅半球进行摩擦的分子动力学模拟。研究了金刚石表面发生结构转变和石墨化的机理，分析了其对载荷压力、温度和滑动速度的依赖性。径向分布函数g(r)的分析证明金刚石发生石墨化。对比结果表明，温度和应力都促进了 sp2 杂化相的形成，而滑动速度的变化不会带来相变量的差异。此外，应力的存在和变化是结构转变和石墨化的关键因素。最后进行了不同加载力下的实际摩擦试验。