Molecular dynamics simulation on dependence of atomic-scale stick-slip phenomenon upon probe tip shape

This study intends to clarify the generation mechanism of the atomic-scale stick-slip phenomenon just like observed through the surface observation process using the atomic force microscope (AFM). This paper reports on the correspondence between probe tip shape and generation form of the atomic-scale stick-slip phenomenon, it has been analyzed by use of the molecular dynamics (MD) simulation. A 3-dimensional model is proposed where the specimen and the probe are assumed to consist of mono-crystalline copper and rigid diamond, respectively, and the effect of the cantilever stiffness is taken into consideration. From the simulation results, it is clarified that the generation form of atomic-scale stick-slip phenomenon differed, when the probe has single atom tip or plane tip consisted of several atoms.