Phase diagram and universality of the Lennard-Jones gas-liquid system

Handle URI:
http://hdl.handle.net/10754/599175
Title:
Phase diagram and universality of the Lennard-Jones gas-liquid system
Authors:
Watanabe, Hiroshi; Ito, Nobuyasu; Hu, Chin-Kun
Abstract:
The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class. © 2012 American Institute of Physics.
Citation:
Watanabe H, Ito N, Hu C-K (2012) Phase diagram and universality of the Lennard-Jones gas-liquid system. J Chem Phys 136: 204102. Available: http://dx.doi.org/10.1063/1.4720089.
Publisher:
AIP Publishing
Journal:
The Journal of Chemical Physics
KAUST Grant Number:
KUK-I1-005-04
Issue Date:
2012
DOI:
10.1063/1.4720089
PubMed ID:
22667535
Type:
Article
ISSN:
0021-9606
Sponsors:
The computation was carried out by using facilities of the Supercomputer Center, Institute for Solid State Physics, University of Tokyo, and Information Technology Center, Nagoya University. We would like to thank K. Binder, N. Kawashima, S. Todo, and Y. Tomita for helpful discussions. This work was partially supported by Grants-in-Aid for Scientific Research (Contract No. 23740287), by KAUST GRP (KUK-I1-005-04), by Grants NSC 100-2112-M-001-003-MY2, and by NCTS (North).
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Full metadata record

DC FieldValue Language
dc.contributor.authorWatanabe, Hiroshien
dc.contributor.authorIto, Nobuyasuen
dc.contributor.authorHu, Chin-Kunen
dc.date.accessioned2016-02-25T13:54:18Zen
dc.date.available2016-02-25T13:54:18Zen
dc.date.issued2012en
dc.identifier.citationWatanabe H, Ito N, Hu C-K (2012) Phase diagram and universality of the Lennard-Jones gas-liquid system. J Chem Phys 136: 204102. Available: http://dx.doi.org/10.1063/1.4720089.en
dc.identifier.issn0021-9606en
dc.identifier.pmid22667535en
dc.identifier.doi10.1063/1.4720089en
dc.identifier.urihttp://hdl.handle.net/10754/599175en
dc.description.abstractThe gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class. © 2012 American Institute of Physics.en
dc.description.sponsorshipThe computation was carried out by using facilities of the Supercomputer Center, Institute for Solid State Physics, University of Tokyo, and Information Technology Center, Nagoya University. We would like to thank K. Binder, N. Kawashima, S. Todo, and Y. Tomita for helpful discussions. This work was partially supported by Grants-in-Aid for Scientific Research (Contract No. 23740287), by KAUST GRP (KUK-I1-005-04), by Grants NSC 100-2112-M-001-003-MY2, and by NCTS (North).en
dc.publisherAIP Publishingen
dc.titlePhase diagram and universality of the Lennard-Jones gas-liquid systemen
dc.typeArticleen
dc.identifier.journalThe Journal of Chemical Physicsen
dc.contributor.institutionUniversity of Tokyo, Tokyo, Japanen
dc.contributor.institutionAcademia Sinica Taiwan, Nankang, Taiwanen
kaust.grant.numberKUK-I1-005-04en
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