NpT-Ensemble Monte Carlo Calculations for the Hard-Disk Fluid
- 15 January 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (2) , 729-741
- https://doi.org/10.1063/1.1673047
Abstract
The NpT‐ensemble Monte Carlo method previously described, in which the hard‐disk interaction is represented by a soft pseudopotential in a reduced configuration space with a fixed periodic enclosure, is used to calculate the equation of state and radial distribution function in the high‐density fluid phase. The equation of state agrees within statistical error with the (3, 3) Padé approximant to the six‐term virial expansion and, for large enough systems, with Salsburg's analysis of the N dependence. The results also agree with recent Monte Carlo calculations by Chae, Ree, and Ree using the NVT ensemble. Some qualitative results for systems of 48 and 90 disks which lend further support to the now‐accepted presence of a solid–fluid phase transition are also presented.Keywords
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