Freezing line of the Lennard-Jones fluid: A phase switch Monte Carlo study
نویسندگان
چکیده
منابع مشابه
Freezing line of the Lennard-Jones fluid: a phase switch Monte Carlo study.
We report a phase switch Monte Carlo (PSMC) method study of the freezing line of the Lennard-Jones (LJ) fluid. Our work generalizes to soft potentials the original application of the method to hard-sphere freezing and builds on a previous PSMC study of the LJ system by Errington [J. Chem. Phys. 120, 3130 (2004)]. The latter work is extended by tracing a large section of the Lennard-Jones freezi...
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NPT Monte Carlo classical computer simulations were performed to study the structure and thermal equilibrium properties of Lennard-Jones clusters. Three sizes were considered in the study, with 38, 42, and 50 atoms, temperatures from 0.1 to 0.5 and pressures from 0 to 20 (in reduced units). For the three clusters we observe a discontinuity in the slope of the isotherms that corresponds to a rea...
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The structure of fluids confined by planar walls is studied using density functional theory. The density functional used is a generalized form of the hypernetted chain (HNC) functional which contains a term third order in the density. This term is chosen to ensure that the modified density functional gives the correct bulk pressure. The proposed density functional applied to a Lennard-Jones...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2006
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2166395