Phase diagram and universality of the Lennard-Jones gas-liquid system
KAUST Grant NumberKUK-I1-005-04
Permanent link to this recordhttp://hdl.handle.net/10754/599175
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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.
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.
SponsorsThe 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).
JournalThe Journal of Chemical Physics
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