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

Toshihiro Kaneko, Ayori Mitsutake, Kenji Yasuoka

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Abstract

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.

Original languageEnglish
Article numberSA014
JournalJournal of the Physical Society of Japan
Volume81
Issue numberSUPPL. A
DOIs
Publication statusPublished - 2012 Sep

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Keywords

  • Lennard-Jones particles
  • Liquid-solid phase transition
  • Multibaric-multithermal ensemble
  • Phase diagram

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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