Friction Coefficient Calculation and Mechanism Analysis for MoS2 Nanoparticle from Molecular Dynamics Simulation

CS Chen and HJ Cian and CH Yu and CW Huang, 37TH NATIONAL CONFERENCE ON THEORETICAL AND APPLIED MECHANICS (37TH NCTAM 2013) & THE 1ST INTERNATIONAL CONFERENCE ON MECHANICS (1ST ICM), 79, 617-621 (2014).

DOI: 10.1016/j.proeng.2014.06.388

We studied friction coefficients and mechanisms of MoS2 nanoparticles from molecular dynamics simulations. A covalent bond force field of molybdenum and sulfur were implemented in LAMMPS and tri- layered capsular structured MoS2 nanoparticles subjected to different amplitudes of normal stress were performed. We found average friction coefficient predicted by molecular dynamics simulations is about 0.05, agreed well with experimental measurements. In addition, when the underlying mechanisms switched from sliding to rolling, significant reduction of friction coefficients was observed. (C) 2014 Elsevier Ltd.

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