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

Hideo Doi; Kenji Yasuoka

doi:10.1063/1.4984815

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

Hideo Doi, Kenji Yasuoka

Department of Mechanical Engineering

Research output: Contribution to journal › Article › peer-review

4 Citations (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 language	English
Article number	055018
Journal	AIP Advances
Volume	7
Issue number	5
DOIs	https://doi.org/10.1063/1.4984815
Publication status	Published - 2017 May 1

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1063/1.4984815

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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.",

author = "Hideo Doi and Kenji Yasuoka",

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N2 - 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.

AB - 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.

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

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