Study of the hard-disk system at high densities: the fluid-hexatic phase transition

Integral equations of uniform fluids have been considered unable to predict any characteristic feature of the fluid-solid phase transition, including the shoulder that arises in the second peak of the fluid-phase radial distribution function, RDF, of hard-core systems obtained by computer simulation...

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Veröffentlicht in:The Journal of chemical physics 2018-06, Vol.148 (23), p.234502-234502
Hauptverfasser: Mier-y-Terán, Luis, Machorro-Martínez, Brian Ignacio, Chapela, Gustavo A., del Río, Fernando
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Sprache:eng
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Zusammenfassung:Integral equations of uniform fluids have been considered unable to predict any characteristic feature of the fluid-solid phase transition, including the shoulder that arises in the second peak of the fluid-phase radial distribution function, RDF, of hard-core systems obtained by computer simulations, at fluid densities very close to the structural two-step phase transition. This reasoning is based on the results of traditional integral approximations, like Percus-Yevick, PY, which does not show such a shoulder in hard-core systems, neither in two nor three dimensions. In this work, we present results of three Ansätze, based on the PY theory, that were proposed to remedy the lack of PY analytical solutions in two dimensions. This comparative study shows that one of those Ansätze does develop a shoulder in the second peak of the RDF at densities very close to the phase transition, qualitatively describing this feature. Since the shoulder grows into a peak at still higher densities, this integral equation approach predicts the appearance of an orientational order characteristic of the hexatic phase in a continuous fluid-hexatic phase transition.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.5026496