Nanoindentation and atomistic molecular dynamics simulations of the loading surface of monocrystalline germanium were used to investigate the evolution of the key structure, the force model, the temperature, the potential, and the deformable layer thickness. The mechanical characteristics of typical crystal planes (001), (110), and (111) of the crystal system were compared under load. It was observed that the hardness and stiffness of the (110) plane were greatest among the three crystal planes, whereas the hardness and stiffness of the (111) plane were lowest. Moreover, the deformation layers at the ends of both planes were basically flat. The processing efficiency of the (111) surface was higher; thus, the (111) surface was considered the best loading surface. It was concluded that the subsurface defects of the monocrystalline germanium (111) plane were smaller and the work efficiency was higher during the processing of monocrystalline germanium, making it ideal for monocrystalline germanium ultra-precision processing.
Keywords: mechanical properties; molecular dynamics; monocrystalline germanium; nanoindentation.