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  1. B100 理学部/理学研究科
  2. B100a 雑誌掲載論文
  3. 学術雑誌

New approach to the first-order phase transition of Lennard-Jones fluids

http://hdl.handle.net/2237/00029124
http://hdl.handle.net/2237/00029124
83ec7e97-16ce-4ea9-a3ec-f18ef4224f8a
名前 / ファイル ライセンス アクション
1_1687682.pdf 1_1687682 (218.6 kB)
Item type 学術雑誌論文 / Journal Article(1)
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

WEKO 88212

en Muguruma, Chizuru

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Okamoto, Yuko

× Okamoto, Yuko

WEKO 88213

en Okamoto, Yuko

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Mikami, Masuhiro

× Mikami, Masuhiro

WEKO 88214

en Mikami, Masuhiro

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 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
著者版フラグ
値 publisher
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