Development of Friction-Force Microscopy Simulator for Analysis of Superlubric Fullerene-Graphite Hybrid Material Surface

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Simulator calculating frictional process of superlubric fullerene-graphite hybrid interface using molecular mechanics method has been developed, and the marked anisotropy of this interface due to the commensurate and incommensurate contacts at the interface is revealed. Particularly it is clarified that origins of superlubricity along the commensurate [1010] scan direction are (1) C_<60> small rotation (tilting), and (2) point-like contact between C_<60> molecule and graphite and its induced elastic deformation of C_<60> molecule. Furthermore, origin of the near-zero friction along [1230] direction is ascribed to that the energy barrier between neighboring minima does not vanish or always exists during the scanning process.