Coarse-grained Molecular Dynamics Simulation Study of Nanorheology and Nanotribology

Abstract

The scanning probe microscopy experiment for the nanorheology and nanotribology of polymer surface is simulated by coarse grained molecular dynamics. The loading and the unloading process of the probe onto the polymer surface, and the lateral movement of the probe at the polymer surface are simulated with changing the temperature and the probe speed. The simulation gives the hysteresis loop in the force-displacement curve similar to what have been observed experimentally, and this effect is shown to be caused by a few polymer chains withdrawn from the bulk by the probe.