Determination of liquid-solid transition using histogram reweighting method and expanded ensemble simulations

Jaeeon Chang; Stanley I. Sandler

doi:10.1063/1.1565329

Determination of liquid-solid transition using histogram reweighting method and expanded ensemble simulations

Jaeeon Chang, Stanley I. Sandler

Department of Chemical Engineering

Department of Chemical Engineering, Center for Molecular and Engineering Thermodynamics, University of Delaware

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

41 Scopus citations

Abstract

A new method to calculate liquid-solid equilibria was developed using a combination of the histogram reweighting and expanded ensemble methods. This method was tested for hard sphere systems of varying numbers of particles, and it accurately predicted the coexistence properties.

Original language	English
Pages (from-to)	8390-8395
Number of pages	6
Journal	Journal of Chemical Physics
Volume	118
Issue number	18
DOIs	https://doi.org/10.1063/1.1565329
State	Published - 8 May 2003

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title = "Determination of liquid-solid transition using histogram reweighting method and expanded ensemble simulations",

abstract = "A new method to calculate liquid-solid equilibria was developed using a combination of the histogram reweighting and expanded ensemble methods. This method was tested for hard sphere systems of varying numbers of particles, and it accurately predicted the coexistence properties.",

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Determination of liquid-solid transition using histogram reweighting method and expanded ensemble simulations

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