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Symmetric Lennard-Jones mixtures in two dimensions

Authors: Margot J. Vlot; Jan P. van der Eerden;

Symmetric Lennard-Jones mixtures in two dimensions

Abstract

Two-dimensional NPT Monte Carlo simulations are performed for binary mixtures of Lennard-Jones particles, D and L. The DD-interactions are equal to the LL-interactions. The optimum DL-distance is changed using one parameter in the Lennard-Jones potential by s=σDL/σDD, resulting in nonadditive mixtures. Simulations of the solid phase yields various crystal structures, like triangular, square and hexagonal solid solutions, which are compared with our previous results of analogous three dimensional mixtures [M. J. Vlot et al., J. Chem. Phys. 107, 4345 (1997). In most cases, the 2D crystals are layers from the corresponding 3D compounds. The Gibbs free energy is measured to determine the stability limits. Raising s from s=1 (ideal mixture) to 1.2 a remarkable chainlike order, to which we refer to as spaghetti order, develops continuously in the solid phase. Increasing s further, results in a transition to a liquid, again with clear spaghetti ordering. Topologically these structures show similarities to structures occurring during spinodal decomposition, but our spaghetti solid and liquid are much more stable than the demixed states. We suggest a structure parameter deduced from the partial radial distribution functions (DD and DL), to detect the spaghetti structure.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
19
Average
Top 10%
Average
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