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  1. B200 工学部/工学研究科
  2. B200a 雑誌掲載論文
  3. 学術雑誌

Coarse-graining of microscopic dynamics into a mesoscopic transient potential model

http://hdl.handle.net/2237/00032324
http://hdl.handle.net/2237/00032324
918de3ab-790b-47a5-81b8-0111b5705c33
名前 / ファイル ライセンス アクション
PhysRevE101_032106.pdf PhysRevE101_032106 (1.0 MB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2020-06-09
タイトル
タイトル Coarse-graining of microscopic dynamics into a mesoscopic transient potential model
言語 en
著者 Uneyama, Takashi

× Uneyama, Takashi

WEKO 99487

en Uneyama, Takashi

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 © 2020 American Physical Society
抄録
内容記述 We show that a mesoscopic coarse-grained dynamics model which incorporates the transient potential can be formally derived from an underlying microscopic dynamics model. As a microscopic dynamics model, we employ the overdamped Langevin equation. By utilizing the path probability and the Onsager-Machlup type action, we calculate the path probability for the coarse-grained mesoscopic degrees of freedom. The action for the mesoscopic degrees of freedom can be simplified by incorporating the transient potential. Then the dynamic equation for the mesoscopic degrees of freedom can be simply described by the Langevin equation with the transient potential (LETP). As a simple and analytically tractable approximation, we introduce additional degrees of freedom which express the state of the transient potential. Then we approximately express the dynamics of the system as the the combination of the LETP and the dynamics model for the transient potential. The resulting dynamics model has the same dynamical structure as the responsive particle dynamics type models [W. J. Briels, Soft Matter 5, 4401 (2009)] and the multichain slip-spring type models [T. Uneyama and Y. Masubuchi, J. Chem. Phys. 137, 154902 (2012)]. As a demonstration, we apply our coarse-graining method with the LETP to a single particle dynamics in a supercooled liquid, and compare the results of the LETP with the molecular dynamics simulations and other coarse-graining models.
言語 en
内容記述タイプ Abstract
出版者
言語 en
出版者 American Physical Society
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 VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1103/PhysRevE.101.032106
ISSN(print)
収録物識別子タイプ PISSN
収録物識別子 2470-0045
書誌情報 en : Physical Review E

巻 101, 号 3, 発行日 2020-03
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