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

Oga, Haruki; Omori, Takeshi; Herrero, Cecilia; Merabia, Samy; Joly, Laurent; Yamaguchi, Yasutaka

doi:https://doi.org/10.1103/physrevresearch.3.l032019

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

Oga, Haruki; Omori, Takeshi; Herrero, Cecilia et al.

Physical Review Research, 3(3), L032019-1-L032019-6

Number of Access:741（2026-03-06 04:54 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/83317

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Title	Theoretical framework for the atomistic modeling of frequency-dependent liquid-solid friction
Creator	CreatorName Oga, Haruki
	NRID 1000070467546 1000070467546 CreatorName Omori, Takeshi
	CreatorName Herrero, Cecilia
	CreatorName Merabia, Samy
	CreatorName Joly, Laurent
	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
Description	Oga Haruki, Omori Takeshi, Herrero Cecilia, et al. Theoretical framework for the atomistic modeling of frequency-dependent liquid-solid friction. Physical Review Research, 3(3). https://doi.org/10.1103/physrevresearch.3.l032019. 2021. Copyright 2021 by the American Physical Society.
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.
Publisher	American Physical Society (APS)
Source Title	Physical Review Research
Volume (Issue)	3(3)
Page	L032019-1-L032019-6
Language	English
Handle URL	https://hdl.handle.net/11094/83317
eISSN	26431564
Relation.isIdenticalTo	DOI (Publisher Version) https://doi.org/10.1103/physrevresearch.3.l032019
Access Rights	open access
CopyRight	Copyright 2021 by the American Physical Society
oaire:version	Version of Record
Category	学術雑誌論文 Journal Article

Resource Type	journal article
Local Type	Journal Article
DCMI Type	Text
DCTERMS.bibliographicCitation	Physical Review Research, 3(3), p. L032019-1-L032019-6
DC.title	Theoretical framework for the atomistic modeling of frequency-dependent liquid-solid friction
DC.creator	Oga, Haruki
	Omori, Takeshi
	Herrero, Cecilia
	Merabia, Samy
	Joly, Laurent
	Yamaguchi, Yasutaka
DC.publisher	American Physical Society (APS)
DC.language' scheme='DCTERMS.RFC1766	English
DC.type' scheme='DCTERMS.DCMIType	Text
DC.identifier	https://doi.org/10.1103/physrevresearch.3.l032019
DC.description	Oga Haruki, Omori Takeshi, Herrero Cecilia, et al. Theoretical framework for the atomistic modeling of frequency-dependent liquid-solid friction. Physical Review Research, 3(3). https://doi.org/10.1103/physrevresearch.3.l032019. 2021. Copyright 2021 by the American Physical Society.
DCTERMS.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.
DC.rights	Copyright 2021 by the American Physical Society
DC.format	83317
citation_title	Theoretical framework for the atomistic modeling of frequency-dependent liquid-solid friction
citation_author	Oga, Haruki
	Omori, Takeshi
	Herrero, Cecilia
	Merabia, Samy
	Joly, Laurent
	Yamaguchi, Yasutaka
citation_publisher	American Physical Society (APS)
citation_language	English
citation_journal_title	Physical Review Research
citation_volume	3
citation_issue	3
citation_firstpage	L032019-1
citation_lastpage	L032019-6
citation_doi	https://doi.org/10.1103/physrevresearch.3.l032019
citation_public_url	https://hdl.handle.net/11094/83317

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

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