PHASE-BEHAVIOR OF PARALLEL CUT SPHERES - MONTE-CARLO AND INTEGRAL-EQUATION RESULTS

被引:16
作者
AZZOUZ, H [1 ]
CAILLOL, JM [1 ]
LEVESQUE, D [1 ]
WEIS, JJ [1 ]
机构
[1] UNIV PARIS 11,CNRS,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
关键词
D O I
10.1063/1.462790
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 eta approximately 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 eta = 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.
引用
收藏
页码:4551 / 4558
页数:8
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