Green-Kubo measurement of liquid-solid friction in finite-size systems

Oga, Haruki; Yamaguchi, Yasutaka; Omori, Takeshi et al.

Journal of Chemical Physics, 2019, 151(5), 054502-1-054502-9

Number of Access:495（2025-08-14 06:48 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/83322

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Title
Green-Kubo measurement of liquid-solid friction in finite-size systems
Creator
CreatorName
Oga, Haruki
NRID
1000030346192 1000030346192
ORCID
0000-0002-8000-8437 0000-0002-8000-8437
researchmap permalink
yasutaka_yamaguchi yasutaka_yamaguchi
Scopus Author ID
15849815900 15849815900
CreatorName
Yamaguchi, Yasutaka
NRID
1000070467546 1000070467546
CreatorName
Omori, Takeshi
CreatorName
Merabia, Samy
CreatorName
Joly, Laurent
Description
Oga H., Yamaguchi Y., Omori T., et al. Green-Kubo measurement of liquid-solid friction in finite-size systems. Journal of Chemical Physics, 151(5), 054502. https://doi.org/10.1063/1.5104335.
Abstract
To characterize liquid-solid friction using molecular dynamics simulations, Bocquet and Barrat (BB) [Phys. Rev. E 49, 3079-3092 (1994)] proposed to use the plateau value of a Green-Kubo (GK) integral of the friction force. The BB method is delicate to apply in finite-size simulations, where the GK integral vanishes at long times. Here, we derive an expression for the GK integral in finite-size systems, based on a Langevin description of a coarse-grained system effectively involving a certain thickness of liquid close to the wall. Fitting this expression to GK integrals obtained from simulations of a liquid slab provides the friction coefficient and the effective thickness of the coarse-grained system. We show that the coarse-grained system for a Lennard-Jones fluid between flat and smooth solid surfaces is 2-3 molecules thick, which provides a criterion for measuring the friction coefficient independently of confinement. As compared to nonequilibrium simulations, the new approach is more accurate and removes some ambiguities of nonequilibrium measurements. Overall, we hope that this new method can be used to characterize efficiently liquid-solid friction in a variety of systems of interest, e.g., for nanofluidic applications.
Publisher
AIP Publishing
Source Title
Journal of Chemical Physics
Volume (Issue)
151(5)
Page
054502-1-054502-9
Date of Issued
2019-08-01
Language
English
Handle URL
https://hdl.handle.net/11094/83322
PISSN
00219606
NCID
AA11868256
Relation.isIdenticalTo
DOI (Publisher Version)
https://doi.org/10.1063/1.5104335
Access Rights
open access
CopyRight
© 2019 Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License.
oaire:version
Version of Record
Category
学術雑誌論文 Journal Article