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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/2237/000337820d6d7116-3e86-4843-befd-47d5eec595c0
名前 / ファイル | ライセンス | アクション |
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Trans-DPD_ForRepository (252.3 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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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× Zhang, Hedong× Fukuzawa, Kenji× Itoh, Shintaro |
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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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著者版フラグ | ||||||
値 | author |