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Berlin 2018 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 8: 2D Materials (Symposium and Joint Session with HL and O): Session I (joint session DS/CPP/HL)

CPP 8.9: Talk

Monday, March 12, 2018, 11:45–12:00, H 2032

Frictional anisotropy of MoS2 studied with molecular dynamics simulations — •Victor Claerbout1, Tomas Polcar1,2, and Paolo Nicolini11Czech Technical University in Prague, Prague, Czech Republic — 2nCATS, University of Southampton, Southampton, United Kingdom

Transition metal dichalcogenides are considered to be among the best solid lubricants due to their lamellar structure. Tribological research focused upon molybdenum disulfide has revealed its super low friction behavior [1]. However, a full understanding of the mechanism behind this behavior remains lacking. In this contribution we aim to elucidate the phenomena taking place at the nanoscale when two commensurate layers of molybdenum disulfide slide one atop of another. In particular, by means of molecular dynamics simulations, we studied the effect of sliding anisotropy [2] (i.e., the changing frictional behavior upon varying the sliding angle of two commensurate layers) on the energy dissipation due to friction. We simulated different sliding conditions (varying e.g. normal load, sliding speed and system temperature) in order to highlight their effect on the lubricating properties. These results will help on the one hand to identify the fundamental mechanisms that govern friction at an atomistic level, as well as providing guidelines for the design of novel layered materials with improved tribological properties.

[1] J.M. Martin et al., Phys. Rev. B, 48, 10583(R) (1993). [2] Onodera et al., J. Phys. Chem. B, 114, 15832 (2010).

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