Molecule Statistical Thermodynamics Simulation of Nanoindentation of Single Crystal Copper with EAM Potential

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.