Phase behavior of parallel cut spheres. Monte Carlo and integral equation results

Azzouz, H.; Caillol, J. M.; Levesque, D.; Weis, J. J.
March 1992
Journal of Chemical Physics;3/15/1992, Vol. 96 Issue 6, p4551
Academic Journal
Monte Carlo simulations of a system of 2500 parallel cut spheres of thickness L/D=0.1 give evidence for a phase transition, at packing fraction η∼0.40, from the low density nematic phase to a smectic phase. No tendency to formation of columnar ordering is observed up to densities as high as η=0.60. This behavior contrasts with that of freely rotating cut spheres for which the sequence of stable phases has been identified as isotropic–nematic–columnar–solid [D. Frenkel, Liquid Cryst. 5, 929 (1989)]. For the present system of highly anisotropic molecules the slow convergence of the expansion of correlation functions on rotational invariants precludes quantitative comparison between integral equation theory and simulation results.


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