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  • Letter
  • Open Access

Theoretical framework for the atomistic modeling of frequency-dependent liquid-solid friction

Haruki Oga1,*, Takeshi Omori2,†, Cecilia Herrero3, Samy Merabia3, Laurent Joly3,4, and Yasutaka Yamaguchi1,5,‡

  • 1Department of Mechanical Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan
  • 2Department of Mechanical Engineering, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi, Osaka, Osaka 558-8585, Japan
  • 3Univ Lyon and Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France
  • 4Institut Universitaire de France (IUF), 1 rue Descartes, 75005 Paris, France
  • 5Water Frontier Research Center (WaTUS), Research Institute for Science & Technology, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan

  • *haruki@nnfm.mech.eng.osaka-u.ac.jp
  • †omori@osaka-cu.ac.jp
  • ‡yamaguchi@mech.eng.osaka-u.ac.jp
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Phys. Rev. Research 3, L032019 – Published 27 July, 2021

DOI: https://doi.org/10.1103/PhysRevResearch.3.L032019

Abstract

Nanofluidics shows great promise for energy conversion and desalination applications. The performance of nanofluidic devices is controlled by liquid-solid friction, quantified by the Navier friction coefficient (FC). Despite decades of research, there is no well-established generic framework to determine the frequency-dependent Navier FC from atomistic simulations. Here, we have derived analytical expressions to connect the Navier FC to the random force autocorrelation on the confining wall, from the observation that the random force autocorrelation can be related to the hydrodynamic boundary condition, where the Navier FC appears. The analytical framework is generic in the sense that it explicitly includes the system size dependence and also the frequency dependence of the FC, which enabled us to address (i) the long-standing plateau issue in the evaluation of the FC and (ii) the non-Markovian behavior of liquid-solid friction of a Lennard-Jones liquid and of water on various walls and at various temperatures, including the supercooled regime. This framework opens the way to explore the frequency-dependent FC for a wide range of complex liquids.

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Outline

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Phys. Rev. Research 3, L032019– Published 27 July, 2021
  • Received 9 April 2021
  • Accepted 7 July 2021
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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