Considering the process of the plane of rectangular indenter contacting on the plane of rectangular basal body in nanoscale as research object, molecular dynamics method is used for modeling, solving and simulation analysis. The change of atomic state and acting force in the contact process of nanoscale plane and plane is analysis from atomic aspect. The result showed that: when the plane of the rectangular indenter is from the surface of the base body a certain distance, due to attractive force, produced by inter-atomic force, the surface of the substrate produces atoms projection phenomenon; As the indenter continue to move down,the inter-atomic force becomes repulsive force, generates the contact pressure which gradually increases as the contact depth increases; The lattice under the indenter is deformed with pressure action. When indenter is in disengagement stage, the contact pressure decreases rapidly, and appears to reverse tensile stress. With action of the reverse tensile stress, dislocation configuration gradually change and restructuring. At same time, due to the surface effect, a number of substrate atoms are adsorbed in the surface of indenter, which caused by adhesion,and pulled out of the base body with the indenter.
Path-integral simulation of graphene monolayers under tensile stress
