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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.

physical review. e, statistical, nonlinear and soft matter physics

Entropy and heat capacity calculations of simulated crystal–hexatic smectic-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>B</mml:mi></mml:math>–smectic-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>A</mml:mi></mml:math>liquid-crystal phase transitions

Entropy and heat capacity calculations of simulated crystal–hexatic smectic-B–smectic-Aliquid-crystal phase transitions