Molecular Dynamics Simulation of Nanoindentation on Diamond Crystal [100] Surface

Abstract:

The nanoindentation of diamond crystal [100] surface is studied in this paper, by using molecular dynamics simulation method and Tersoff potential. The total number of atoms in the model is exceed to 2,000,000. The crystal structure changes and the bond formations of C atoms under pressure load are analyzed. A light load causes lattice distortion but cannot cause bond breaking or hybridization transition from sp3 to sp2. When the load is enough heavy, the energy be imposed on the workpiece will beyond the range of lattice distortion, which can cause bond break and hybridization transition from sp3 to sp2.

• Periodical: Advanced Materials Research (Volumes 399-401)
• Pages: 751-759
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.399-401.751
• Online since: November 2011
• Authors: Jian Liu, Jin Xing Kong, Da Jiang Lei, Ya Lin Zhang, Hai Feng Li, Xiao Ping Zhao
• Keywords: Diamond, Indentation, Molecular Dynamic (MD)

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