Literature DB >> 16178607

Thermodynamic properties of lattice hard-sphere models.

A Z Panagiotopoulos1.   

Abstract

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 sigma. The nearestneighbor exclusion model, sigma = radical2, was previously found to have a second-order transition. Models with integer values of sigma = 1 or 2 do not have any transitions. Models with sigma = radical3 and sigma = 3 have weak first-order fluid-solid transitions while those with sigma = 2 radical2, 2 radical3, and 3 radical2 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.

Year:  2005        PMID: 16178607     DOI: 10.1063/1.2008253

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Condensation and Crystal Nucleation in a Lattice Gas with a Realistic Phase Diagram.

Authors:  Santi Prestipino; Gabriele Costa
Journal:  Entropy (Basel)       Date:  2022-03-17       Impact factor: 2.524

  1 in total

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