| Item type |
itemtype_ver1(1) |
| 公開日 |
2021-11-12 |
| タイトル |
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|
タイトル |
Calculation of the residual entropy of Ice Ih by Monte Carlo simulation with the combination of the replica-exchange Wang–Landau algorithm and multicanonical replica-exchange method |
|
言語 |
en |
| 著者 |
Hayashi, Takuya
Muguruma, Chizuru
Okamoto, Yuko
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| アクセス権 |
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|
アクセス権 |
open access |
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アクセス権URI |
http://purl.org/coar/access_right/c_abf2 |
| 権利 |
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|
言語 |
en |
|
権利情報 |
Copyright 2021 Author(s). Published under an exclusive license by AIP Publishing. 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 (J. Chem. Phys. 154, 044503 (2021)) and may be found at (https://doi.org/10.1063/5.0038157). |
| 内容記述 |
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内容記述タイプ |
Abstract |
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内容記述 |
We estimated the residual entropy of Ice Ih by the recently developed simulation protocol, namely, the combination of the replica-exchange Wang–Landau algorithm and multicanonical replica-exchange method. We employed a model with the nearest neighbor interactions on the three-dimensional hexagonal lattice, which satisfied the ice rules in the ground state. The results showed that our estimate of the residual entropy is in accordance with various previous results. In this article, we not only give our latest estimate of the residual entropy of Ice Ih but also discuss the importance of the uniformity of a random number generator in Monte Carlo simulations. |
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言語 |
en |
| 出版者 |
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出版者 |
AIP Publishing |
|
言語 |
en |
| 言語 |
|
|
言語 |
eng |
| 資源タイプ |
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資源タイプ識別子 |
http://purl.org/coar/resource_type/c_6501 |
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資源タイプ |
journal article |
| 出版タイプ |
|
|
出版タイプ |
VoR |
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出版タイプResource |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| 関連情報 |
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|
関連タイプ |
isVersionOf |
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識別子タイプ |
DOI |
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|
関連識別子 |
https://doi.org/10.1063/5.0038157 |
| 収録物識別子 |
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収録物識別子タイプ |
PISSN |
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収録物識別子 |
0021-9606 |
| 書誌情報 |
en : The Journal of Chemical Physics
巻 154,
号 4,
p. 044503,
発行日 2021-01-28
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| ファイル公開日 |
|
|
日付 |
2022-01-28 |
|
日付タイプ |
Available |
5_0038157.pdf (2.6 MB)
