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Coarse-graining of microscopic dynamics into a mesoscopic transient potential model
http://hdl.handle.net/2237/00032324
http://hdl.handle.net/2237/00032324918de3ab-790b-47a5-81b8-0111b5705c33
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
PhysRevE101_032106 (1.0 MB)
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| 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 |
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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 | © 2020 American Physical Society | |||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 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 | |||||
| 出版者 | ||||||
| 出版者 | American Physical Society | |||||
| 言語 | en | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
| 資源タイプ | 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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| 著者版フラグ | ||||||
| 値 | publisher | |||||
