Multibaric-multithermal ensemble study of liquid-solid phase transition in Lennard-Jones particles

Toshihiro Kaneko, Ayori Mitsutake, Kenji Yasuoka

研究成果: Article

6 引用 (Scopus)

抄録

Molecular dynamics simulations in a multibaric-multithermal ensemble have been carried out for Lennard-Jones systems of 108 and 256 particles. Using reweighting techniques, the temperature dependence of the isobaric heat capacity is calculated, and a liquid-solid coexistence curve on the pressure-temperature plane is also determined from heat capacity peaks. The curve is in good agreement with those obtained by other methods in previous reports.

元の言語English
記事番号SA014
ジャーナルJournal of the Physical Society of Japan
81
発行部数SUPPL. A
出版物ステータスPublished - 2012 9

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solid phases
specific heat
curves
liquids
molecular dynamics
temperature dependence
simulation
temperature

ASJC Scopus subject areas

  • Physics and Astronomy(all)

これを引用

Multibaric-multithermal ensemble study of liquid-solid phase transition in Lennard-Jones particles. / Kaneko, Toshihiro; Mitsutake, Ayori; Yasuoka, Kenji.

:: Journal of the Physical Society of Japan, 巻 81, 番号 SUPPL. A, SA014, 09.2012.

研究成果: Article

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