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1 MSME - Laboratoire de Modélisation et Simulation Multi Echelle 2 UNS-HCMC - University of Natural Science, Vietnam National University HoChiMinhCity

Abstract : In this paper, we study the friction behavior of molecular liquids with anisotropically strained graphene. Due to the changes of lattice and the potential energy surface, the friction is orientation dependent and can be computed by tensorial Green-Kubo formula. Simple quantitative estimations are also proposed for the zero-time response and agree reasonably well with the Molecular Dynamics results. From simulations, we can obtain the information of structures, dynamics of the system and study the influence of strain, molecular shapes on the anisotropy degree. It is found that unilateral strain can increase friction in all directions but the strain direction is privileged. Numerical evidences also show that nonspherical molecules are more sensitive to strain and resulting more pronounced anisotropy effects.





Author: Liao Meng - Quy-Dong To - Céline Léonard - Vincent Monchiet - Van Hoang Vo -

Source: https://hal.archives-ouvertes.fr/



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