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Chemifriction and Superlubricity: Friends or Foes? | LitMetric

Chemifriction and Superlubricity: Friends or Foes?

J Phys Chem Lett

Department of Physical Chemistry, School of Chemistry, The Raymond and Beverly Sackler Faculty of Exact Sciences and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel.

Published: March 2025

The mechanisms underlying chemifriction (the contribution of interfacial bonding to friction) in defected twisted graphene interfaces are revealed using fully atomistic molecular dynamics simulations based on machine-learning potentials. This involves stochastic events of consecutive bond formation and rupture between single vacancy defects that may enhance friction. A unique shear-induced interlayer atomic transfer healing mechanism is discovered that can be harnessed to design a run-in procedure to restore superlubric sliding. This mechanism should be manifested as negative differential friction coefficients that are expected to emerge under moderate normal loads. A physically motivated phenomenological model is developed to predict the chemifriction effects in experimentally relevant sliding velocity regimes. This allows us to identify a distinct transition between logarithmic increase and logarithmic decrease of the friction force with increasing sliding velocity. While demonstrated for homogeneous graphitic contacts, a similar mechanism is expected to occur in other homogeneous or heterogeneous defected two-dimensional material interfaces.

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Source
http://dx.doi.org/10.1021/acs.jpclett.5c00193DOI Listing

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