Effects of temperature, strain rate and molecule length on the deformation of graphene/polyethylene composites: A molecular dynamics simulation

JY Li and JQ Zhao and PJ Ren and H Dong and B Meng and SQ Hu, CHEMICAL PHYSICS LETTERS, 726, 39-45 (2019).

DOI: 10.1016/j.cplett.2019.04.037

Molecular dynamics simulations are used to investigate the effects of temperature, strain rate and molecule length on the deformation of graphene/polyethylene composites. At higher temperature, the host molecules move easily to fit the strain during the deformation. When the strain rate is lower, atoms in the composite model are more relaxed to fit the strain, thus the yield stress of the composite model is smaller than that at a higher strain rate. Due to the longer the length of molecules, the relative movement between molecules is more difficult with the increase of the strain, resulting in a larger yield stress.

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