Background: Graphitization behavior of diamond has received an increasing interest in nanoscale machining of some hard and brittle materials. Diamond has always been an important and excellent tool material in cutting area. However, the graphitization of the diamond tool is inevitable when it was used in special conditions. It is indicated that the graphitization of diamond crystal has great influence on the wear resistance of diamond cutting tool. The graphitization behavior needs to be investigated extensively in nanoscale with an atomic view. Molecular dynamics simulation provides a useful tool for understanding of the graphitization mechanism of diamond. The investigation on graphi-tization behavior of single crystal diamond can also provide a useful reference for the application of diamond cutting tool.Materials and
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