Molecule Statistical Thermodynamics Simulation of Nanoindentation of Single Crystal Copper with EAM Potential
TAN Hao1,2, WANG Hai-Ying1**, XIA Meng-Fen1, KE Fu-Jiu3, BAI Yi-Long1
1State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 2Graduate University of Chinese Academy of Sciences, Beijing 100049 3School of Physics and Nuclear Energy Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100191
Molecule Statistical Thermodynamics Simulation of Nanoindentation of Single Crystal Copper with EAM Potential
TAN Hao1,2, WANG Hai-Ying1**, XIA Meng-Fen1, KE Fu-Jiu3, BAI Yi-Long1
1State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 2Graduate University of Chinese Academy of Sciences, Beijing 100049 3School of Physics and Nuclear Energy Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100191
摘要The quasistatic nanoindentation process of a spherical indenter in a single crystal copper is investigated with the molecular statistical thermodynamics (MST) method based on the embedded atom method (EAM) potential. The indentation modulus obtained in the MST simulation is 129.9 GPa, which agrees well with the theoretical prediction (129 GPa). In the elastic regime, the obtained maximum displacement of the indenter is two times the contact depth and the contact area is qualitatively proportional to the contact depth, which agrees well with Hertzian elastic theory of contact. The MST simulation can reproduce the nucleation of dislocation as well. Moreover, the efficiency of the MST method is about 8 times higher than that of traditional MD simulations.
Abstract：The quasistatic nanoindentation process of a spherical indenter in a single crystal copper is investigated with the molecular statistical thermodynamics (MST) method based on the embedded atom method (EAM) potential. The indentation modulus obtained in the MST simulation is 129.9 GPa, which agrees well with the theoretical prediction (129 GPa). In the elastic regime, the obtained maximum displacement of the indenter is two times the contact depth and the contact area is qualitatively proportional to the contact depth, which agrees well with Hertzian elastic theory of contact. The MST simulation can reproduce the nucleation of dislocation as well. Moreover, the efficiency of the MST method is about 8 times higher than that of traditional MD simulations.
TAN Hao;WANG Hai-Ying**;XIA Meng-Fen;KE Fu-Jiu;BAI Yi-Long
. Molecule Statistical Thermodynamics Simulation of Nanoindentation of Single Crystal Copper with EAM Potential[J]. 中国物理快报, 2011, 28(4): 46201-046201.
TAN Hao, WANG Hai-Ying**, XIA Meng-Fen, KE Fu-Jiu, BAI Yi-Long
. Molecule Statistical Thermodynamics Simulation of Nanoindentation of Single Crystal Copper with EAM Potential. Chin. Phys. Lett., 2011, 28(4): 46201-046201.
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2011, Vol. 28 
