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Thermodynamic properties of lattice hard-sphere models

Journal of Chemical Physics, ISSN: 0021-9606, Vol: 123, Issue: 10, Page: 104504
2005
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Article Description

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. © 2005 American Institute of Physics.

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