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Simulation-based equation of state of the hard disk fluid and prediction of higher-order virial coefficients

Jiri Kolafa·Miroslav Rottner
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Abstract

We present new molecular dynamics results for the pressure of the pure hard disk fluid up to the hexatic transition (about reduced density 0.9). The data combined with the known virial coefficients (up to $B_{10}$) are used to build an equation of state, to estimate higher-order virial coefficients, and also to obtain a better value of $B_{10}$. Finite size effects are discussed in detail. The ``van der Waals-like'' loop reported in literature in the vicinity of the fluid/hexatic transition is explained by suppressed density fluctuations in the canonical ensemble. The inflection point on the pressure-density dependence is predicted by the equation of state even if the hexatic phase simulation data are not considered.

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Jiri Kolafa, Miroslav Rottner. 2006-08-16. Simulation-based equation of state of the hard disk fluid and prediction of higher-order virial coefficients. https://doi.org/10.1080/00268970600967963

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