화학공학소재연구정보센터
Journal of Chemical Physics, Vol.115, No.9, 4203-4211, 2001
Liquid crystal phase formation for the linear tangent hard sphere model from Monte Carlo simulations
Monte Carlo simulations have been performed for the linear tangent hard sphere model. The models considered in this work consisted of m = 3 4, 5, 6, and 7 monomer units. For the models m = 3 and m = 4 we find an isotropic fluid and an ordered solid. For the m = 5 model we find the sequence of phases isotropic-nematic-smectic A on compression, and the sequence solid-smectic A-isotropic on expansion. We suggest that the nematic phase for this model is meta stable. For the model in = 6 we observe the phase sequence isotropic-nematic-smectic A on compression, and the sequence ordered solid-smectic A-nematic-isotropic on expansion. We observe a similar sequence on expansion of the m = 7 model. The results for the in = 7 model are in good agreement with those of Williamson and Jackson [J. Chem. Phys. 108, 10294 (1998)]. It was suggested by Flory [Proc. R. Soc. London, Ser. A 234, 73 (1956)] that liquid crystal phases could exist for length to breadth ratios greater than or equal to5.437, i.e., m greater than or equal to6. In this work we place the lower bound at m greater than or equal to5.