Thermodynamic properties of lattice hard-sphere models

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Thermodynamic properties of several lattice hard-sphere models were obtained from grand canonical histogram- reweighting Monte Carlo simulations. Sphere centers occupy positions on a simple cubic lattice of unit spacing and exclude neighboring sites up to a distance σ. The nearestneighbor exclusion model, σ=√2, was previously found to have a second-order transition. Models with integer values of σ=1 or 2 do not have any transitions. Models with σ=√3 and σ=3 have weak first-order fluid-solid transitions while those with σ=2√2, 2√3, and 3√2 have strong fluid-solid transitions. Pressure, chemical potential, and density are reported for all models and compared to the results for the continuum, theoretical predictions, and prior simulations when available.

Original languageEnglish (US)
Article number104504
JournalJournal of Chemical Physics
Issue number10
StatePublished - Sep 8 2005

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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