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

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

doi:https://doi.org/10.1063/1.5104335

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

アクセス数:495件（2025-08-15 22:59 集計）

固定URL: https://hdl.handle.net/11094/83322

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タイトル	Green-Kubo measurement of liquid-solid friction in finite-size systems
著者	著者名 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 著者名 Yamaguchi, Yasutaka
	NRID 1000070467546 1000070467546 著者名 Omori, Takeshi
	著者名 Merabia, Samy
	著者名 Joly, Laurent
内容	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.
抄録	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.
出版者	AIP Publishing
収録物名	Journal of Chemical Physics
巻(号)	151(5)
ページ	054502-1-054502-9
刊行年月	2019-08-01
言語	英語
ハンドルURL	https://hdl.handle.net/11094/83322
PISSN	00219606
NCID	AA11868256
関連情報 (isIdenticalTo)	DOI (出版社版) https://doi.org/10.1063/1.5104335
アクセス権	open access
権利情報	© 2019 Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License.
出版タイプ	Version of Record
カテゴリ	学術雑誌論文 Journal Article

資源タイプ	学術雑誌論文
ローカル資源タイプ	学術雑誌論文
DCMI資源タイプ	text
DCTERMS.bibliographicCitation	Journal of Chemical Physics. 2019, 151(5), p. 054502-1-054502-9
DC.title	Green-Kubo measurement of liquid-solid friction in finite-size systems
DC.creator	Oga, Haruki
	Yamaguchi, Yasutaka
	Omori, Takeshi
	Merabia, Samy
	Joly, Laurent
DC.publisher	AIP Publishing
DC.language' scheme='DCTERMS.RFC1766	英語
DC.type' scheme='DCTERMS.DCMIType	text
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2019-08-01
DC.identifier	https://doi.org/10.1063/1.5104335
DC.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.
DCTERMS.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.
DC.rights	© 2019 Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License.
DC.format	83322
citation_title	Green-Kubo measurement of liquid-solid friction in finite-size systems
citation_author	Oga, Haruki
	Yamaguchi, Yasutaka
	Omori, Takeshi
	Merabia, Samy
	Joly, Laurent
citation_publisher	AIP Publishing
citation_language	英語
citation_date	2019-08-01
citation_journal_title	Journal of Chemical Physics
citation_volume	151
citation_issue	5
citation_firstpage	054502-1
citation_lastpage	054502-9
citation_doi	https://doi.org/10.1063/1.5104335
citation_public_url	https://hdl.handle.net/11094/83322

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

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