Computer simulation of binary hard-disc mixtures
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Computer simulation of binary hard-disc mixtures. / Fraser, Diane P.; Mouritsen, Ole G.; Zuckermann, Martin J.; Mouritsen, Ole G.
In: Physica Scripta, Vol. T33, 1990, p. 81-85.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Computer simulation of binary hard-disc mixtures
AU - Fraser, Diane P.
AU - Mouritsen, Ole G.
AU - Zuckermann, Martin J.
AU - Mouritsen, Ole G.
PY - 1990
Y1 - 1990
N2 - We have developed a new technique for use in two-dimensional Monte Carlo simulations which has been applied to hard-disc systems. The Voronoi tesselation of the system of particles is incorporated into the Monte Carlo simulations and provides easy access to nearest and next-nearest neighbours. The tesselation is dynamically maintained during the simulations and the computing time used is linear in N, the number of particles in the system. In addition, Voronoi statistics provide a method for examining the liquid/solid structure of the systems. Studies have been made on binary mixtures of hard-core discs in which the concentrations of the species are allowed to vary according to pre-set degeneracies. The concentrations would be expected to vary according to the pressure and packing fraction of the system. Scaled particle theory has been used to predict the behaviour of the systems in both the liquid and solid phases with a high degree of success.
AB - We have developed a new technique for use in two-dimensional Monte Carlo simulations which has been applied to hard-disc systems. The Voronoi tesselation of the system of particles is incorporated into the Monte Carlo simulations and provides easy access to nearest and next-nearest neighbours. The tesselation is dynamically maintained during the simulations and the computing time used is linear in N, the number of particles in the system. In addition, Voronoi statistics provide a method for examining the liquid/solid structure of the systems. Studies have been made on binary mixtures of hard-core discs in which the concentrations of the species are allowed to vary according to pre-set degeneracies. The concentrations would be expected to vary according to the pressure and packing fraction of the system. Scaled particle theory has been used to predict the behaviour of the systems in both the liquid and solid phases with a high degree of success.
U2 - 10.1088/0031-8949/1990/T33/013
DO - 10.1088/0031-8949/1990/T33/013
M3 - Journal article
AN - SCOPUS:0010926692
VL - T33
SP - 81
EP - 85
JO - Physica Scripta
JF - Physica Scripta
SN - 0031-8949
ER -
ID: 236894562