Phase diagram and universality of the Lennard-Jones gas-liquid system
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چکیده
منابع مشابه
Phase diagram and universality of the Lennard-Jones gas-liquid system.
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-l...
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The size-temperature "phase diagram" for small Lennard-Jones clusters LJn (n< or =147) is constructed based on the analysis of the heat capacities Cv(T) , computed by the parallel tempering Monte Carlo method. Two types of "phase transitions" are often observed: the higher-temperature solid-liquid transition, due to melting of the cluster core, and the lower-temperature melting that occurs with...
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We analyze the structure diagram for binary clusters of Lennard-Jones particles by means of a global optimization approach for a large range of cluster sizes, compositions, and interaction energies and present a publicly accessible database of 180 000 minimal energy structures (http://softmattertheory.lu/clusters.html). We identify a variety of structures such as core-shell clusters, Janus clus...
متن کاملScaled vapor-to-liquid nucleation in a Lennard-Jones system.
Scaling of the homogenous vapor-to-liquid nucleation rate, J, is observed in a model Lennard-Jones (LJ) system. The model uses Monte Carlo simulation-generated small cluster growth to decay rate constant ratios and the kinetic steady-state nucleation rate formalism to determine J at four temperatures below the LJ critical temperature, T{c}. When plotted vs the scaled supersaturation, lnS/[T{c}/...
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High-accuracy lattice sums have been evaluated for the Lennard-Jones 12-6 pair potential, without cutoffs, in the close-packed fcc and hcp lattices. The results confirm the small relative stability of hcp at low pressure, and locate precisely the first-order phase transition at zero temperature to the fcc structure. The reduced pressure p / at this transition is approximately 878.476 . . . , wi...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2012
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4720089