TY - JOUR
T1 - Thermodynamic properties of lattice hard-sphere models
AU - Panagiotopoulos, A. Z.
N1 - Funding Information:
The author gratefully acknowledges financial support for this work by the Department of Energy, Office of Basic Energy Sciences (Grant No. DE-FG201ER15121) and additional support by ACS-PRF (Grant No. 38165-AC9).
PY - 2005/9/8
Y1 - 2005/9/8
N2 - 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.
AB - 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.
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U2 - 10.1063/1.2008253
DO - 10.1063/1.2008253
M3 - Article
C2 - 16178607
AN - SCOPUS:25144523936
SN - 0021-9606
VL - 123
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 10
M1 - 104504
ER -