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

被引：0
|
作者：
Liu Jian [1 ]
Kong Jinxing [2 ]
Lei Dajiang [2 ]
Zhang Yalin [1 ]
Li Haifeng [1 ]
Zhao Xiaoping [1 ]
机构：
[1] China Acad Engn Phys, Inst Comp Applicat, POB 919-1201, Mianyang 621900, Sichuan Provinc, Peoples R China
[2] CAEP, Inst Engn Mech, Mianyang 621900, Sichuan Prov, Peoples R China
来源：
NEW MATERIALS, APPLICATIONS AND PROCESSES, PTS 1-3 | 2012年 / 399-401卷
关键词：
Diamond; Indentation; Molecular Dynamics; POTENTIALS; ENERGY; HYDROCARBONS; SYSTEMS;
D O I：
10.4028/www.scientific.net/AMR.399-401.751
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
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.
引用
收藏
页码：751 / +
页数：2
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