Presentation Information
[1P06]Simulation analysis of adhesion and ultralow friction in CX molecular bearings
*Daigo Suzuki1, Naruo Sasaki1 (1. Graduate School of Informatics and Engineering, The University of Electro-Communications)
The ultralow friction of the C60 bearing system was experimentally and numerically evaluated. In this study, the C60 molecule was replaced by the arbitrary fullerene species CX (X=70~120) and the atomic-scale adhesion and friction of CX molecular bearings were studied using molecular mechanics simulations. In the simulation, we used a model of the CX bearing system consisting of two rigid graphene sheets with the CX molecules intercalated between them. The Tersoff potential function and the modified Lennard-Jones potential function were adopted, for each interlayer distance, the conjugate gradient method was used to optimize the model. In the C70 molecular bearings, a significant change in orientation among standing-, tilting-, and lying modes was observed due to the asymmetrical ellipsoidal structure of the C70 molecule, unlike the C60 molecular bearings. This study clarified the correlation among friction, adhesion, load, and structure of the CX bearings based on molecular simulation.