Replica exchange molecular simulation of Lennard-Jones particles in a two-dimensional confined system

Hideo Doi, Kenji Yasuoka

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Confined systems exhibit interesting properties that are applied to the fields of lubrication, adhesion and nanotechnology. The replica exchange molecular simulation method was applied to calculate the phase equilibrium points of Lennard-Jones particles in a two-dimensional confined system. The liquid-solid phase equilibrium points and the solid structure with a dependency of the slit width were determined and the order parameter of the solid structure was analyzed. Such confined systems are shown to be favorable for manipulation of the phase equilibrium points.

Original languageEnglish
Article number055018
JournalAIP Advances
Volume7
Issue number5
DOIs
Publication statusPublished - 2017 May 1

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replicas
simulation
lubrication
nanotechnology
slits
solid phases
manipulators
adhesion
liquids

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Replica exchange molecular simulation of Lennard-Jones particles in a two-dimensional confined system. / Doi, Hideo; Yasuoka, Kenji.

In: AIP Advances, Vol. 7, No. 5, 055018, 01.05.2017.

Research output: Contribution to journalArticle

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