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  1. A500 情報学部/情報学研究科・情報文化学部・情報科学研究科
  2. A500a 雑誌掲載論文
  3. 学術雑誌

Effect of transverse dissipative particle dynamics on dynamic properties of nanometer-thick liquid films on solid surfaces

http://hdl.handle.net/2237/00033782
http://hdl.handle.net/2237/00033782
0d6d7116-3e86-4843-befd-47d5eec595c0
名前 / ファイル ライセンス アクション
Trans-DPD_ForRepository.pdf Trans-DPD_ForRepository (252.3 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2021-02-17
タイトル
タイトル Effect of transverse dissipative particle dynamics on dynamic properties of nanometer-thick liquid films on solid surfaces
言語 en
著者 Kobayashi, Takayuki

× Kobayashi, Takayuki

WEKO 103958

en Kobayashi, Takayuki

Search repository
Zhang, Hedong

× Zhang, Hedong

WEKO 103959

en Zhang, Hedong

Search repository
Fukuzawa, Kenji

× Fukuzawa, Kenji

WEKO 103960

en Fukuzawa, Kenji

Search repository
Itoh, Shintaro

× Itoh, Shintaro

WEKO 103961

en Itoh, Shintaro

Search repository
アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
権利
言語 en
権利情報 This is an Accepted Manuscript of an article published by Taylor & Francis Group in Molecular Simulation on 16/09/2020, available online: http://www.tandfonline.com/10.1080/08927022.2020.1820004.
キーワード
主題Scheme Other
主題 Coarse-grained molecular dynamics
キーワード
主題Scheme Other
主題 transverse dissipative particle dynamics
キーワード
主題Scheme Other
主題 dynamic property
キーワード
主題Scheme Other
主題 liquid–solid interface
キーワード
主題Scheme Other
主題 thin film
抄録
内容記述 To ascertain the effect of transverse dissipative particle dynamics (DPD), which includes lateral dissipative forces in addition to the central ones in the standard DPD, on dynamics of systems involving interfaces, we compare dynamic properties derived from coarse-grained (CG) molecular dynamics simulations with the standard and transverse DPD for nanometer-thick liquid films on solid surfaces. The dynamic properties include relaxation times of the film thickness distribution and molecular rotational motion, and transport properties associated with molecular translational motion. Our results show that these dynamic properties are tuneable by changing friction coefficients in the transverse DPD, whereas this is not the case in the standard DPD. We also confirm that the transverse DPD applied to liquid–solid CG bead pairs can tune dynamic properties of nanometer-thick liquid films on solid surfaces, though it is less effective than when applied to liquid–liquid CG bead pairs. Moreover, we reveal that the dissipative forces are isotropic in transverse DPD, whereas the liquid–solid dissipative forces are highly anisotropic and nearly along the direction perpendicular to solid surfaces in standard DPD. This suggests that the transverse liquid–solid DPD might be crucial for modelling the in-plane energy dissipation at liquid–solid interfaces.
言語 en
内容記述タイプ Abstract
内容記述
内容記述 ファイル公開:2021/09/16
言語 ja
内容記述タイプ Other
出版者
言語 en
出版者 Taylor & Francis
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
出版タイプ
出版タイプ AM
出版タイプResource http://purl.org/coar/version/c_ab4af688f83e57aa
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1080/08927022.2020.1820004
ISSN(print)
収録物識別子タイプ PISSN
収録物識別子 0892-7022
書誌情報 en : Molecular Simulation

巻 46, 号 16, p. 1281-1290, 発行日 2020-09-16
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