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| - Smectic Ordering of Parallel Hard Spherocylinders: An Entropy-Based Monte Carlo Study
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| - We investigated the nematic to smectic transition undergone by parallel hard spherocylinders in the frameworkprovided by the residual multiparticle entropy (RMPE) formalism. The RMPE is defined as the sum of allcontributions to the configurational entropy of the fluid that arise from density correlations involving morethan two particles. The vanishing of the RMPE signals the structural changes that take place in the system forincreasing pressures. Monte Carlo simulations carried out for parallel hard spherocylinders show that such aone-phase ordering criterion accurately predicts also the nematic−smectic transition threshold notwithstandingthe almost continuous character of the transition. A similar quantitative correspondence had been alreadynoted in the case of an isotropic fluid of freely rotating hard spherocylinders undergoing a transition to anematic, smectic, or solid phase. The present analysis confirms the flexibility of the RMPE approach as apractical and reliable tool for detecting the formation of mesophases in model liquid crystals.
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