title: Entropy and heat capacity calculations of simulated crystal-hexatic smectic-B-smectic-A liquid-crystal phase transitions.
abstract: Entropy and heat capacity are calculated in phase sequence of crystal, hexatic smectic- B , and smectic- A liquid crystals through constant pressure and temperature molecular-dynamics simulations of parallel soft spherocylinders. The transition from crystal to hexatic smectic- B phase is continuous while the transition to smectic- A phase is first order. The dependence of the phase sequence against the molecular shape anisotropy is investigated and there exists a triple point at a rather small anisotropy. Hopping diffusion of molecules is observed in the hexatic smectic- B phase.
authors.affiliation: Yokoyama Nanosystem Liquid Crystal Project, JST, Tsukuba, Japan. aoki@icfd.co.jp
authors.forename: Keiko M
authors.initials: KM
authors.lastname: Aoki
authors.forename: Makoto
authors.initials: M
authors.lastname: Yoneya
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Yokoyama