Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2005-02-18
Phys. Rev. E 71, 051716 (2005)
Physics
Condensed Matter
Soft Condensed Matter
8 pages, 7 figures, and also 1 table
Scientific paper
10.1103/PhysRevE.71.051716
The isotropic to nematic transition in a system of soft spherocylinders is studied by means of grand canonical Monte Carlo simulations. The probability distribution of the particle density is used to determine the coexistence density of the isotropic and the nematic phases. The distributions are also used to compute the interfacial tension of the isotropic--nematic interface, including an analysis of finite size effects. Our results confirm that the Onsager limit is not recovered until for very large elongation, exceeding at least L/D=40, with L the spherocylinder length and D the diameter. For smaller elongation, we find that the interfacial tension increases with increasing L/D, in agreement with theoretical predictions.
Schilling Tanja
Vink Richard L. C.
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