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New approach to the first-order phase transition of Lennard-Jones fluids
http://hdl.handle.net/2237/00029124
http://hdl.handle.net/2237/0002912483ec7e97-16ce-4ea9-a3ec-f18ef4224f8a
名前 / ファイル | ライセンス | アクション |
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2018-12-21 | |||||
タイトル | ||||||
タイトル | New approach to the first-order phase transition of Lennard-Jones fluids | |||||
言語 | en | |||||
著者 |
Muguruma, Chizuru
× Muguruma, Chizuru× Okamoto, Yuko× Mikami, Masuhiro |
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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 | Copyright 2004 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.The following article appeared in (The Journal of Chemical Physics. v.120, n.16, 2004, p.7557-7563) and may be found at (http://dx.doi.org/10.1063/1.1687682). | |||||
抄録 | ||||||
内容記述 | The multicanonical Monte Carlo method is applied to a bulk Lennard-Jones fluid system to investigate the liquid–solid phase transition. We take the example of a system of 108 argon particles. The multicanonical weight factor we determined turned out to be reliable for the energy range between −7.0 and −4.0 kJ/mol, which corresponds to the temperature range between 60 and 250 K. The expectation values of the thermodynamic quantities obtained from the multicanonical production run by the reweighting techniques exhibit the characteristics of first-order phase transitions between liquid and solid states around 150 K. The present study reveals that the multicanonical algorithm is particularly suitable for analyzing the transition state of the first-order phase transition in detail. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | AIP Publishing | |||||
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/10.1063/1.1687682 | |||||
ISSN(print) | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 0021-9606 | |||||
書誌情報 |
en : The Journal of Chemical Physics 巻 120, 号 16, p. 7557-7563, 発行日 2004-04-22 |
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著者版フラグ | ||||||
値 | publisher |