The disentanglement and shear properties of amorphous polyethylene during friction: Insights from molecular dynamics simulations

T Zheng and SK Wang and L Zhou and X Li and HC Zhang, APPLIED SURFACE SCIENCE, 580, 152301 (2022).

DOI: 10.1016/j.apsusc.2021.152301

This work is designed to provide new insights into the friction process on the amorphous polyethylene substrate by means of classical molecular dynamics (MD) simulations. Both the rises in normal pressures and sliding velocities could result in an increase in the internal shear force. The disentanglement and the crystallinity of the amorphous PE substrate increased during friction, which were strengthened at smaller normal pressures and smaller sliding velocities. The distribution and migration of the adsorbed polyethylene chains during the friction process exhibit directional features along the < 110 > direction as restricted by the surface Cu atoms. Furthermore, the existence of a thin transfer film adsorbing on the Cu slab, helps to reduce the shear forces by 27.8%similar to 31.9% and hinders the increase of crystallinity during friction. In addition, a frequent renewal of the PE substrate surface was observed at the interface and an apparent separation of the transfer film from the PE substrate occurs with the extension of the friction process.

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