The global liquid crystal phase diagram of the nematogenic square-well line model

ABSTRACT

Monte–Carlo simulations in the isothermal–isobaric ensemble are employed to characterise the boundaries of isotropic, nematic, smectic and hexatic phases of square-well prolate spherocylinders with a continuous line of interaction sites. Our results show clear first-order phase transitions between the different mesogenic phases. This work considers different issues not previously published for this model that largely comprised the features of real substances without explicit energetical anisotropy parameters. Particular emphasis is given to the enhancement of the stability of the nematic phase in comparison with other prolate fluids of ellipsoidal and spherocylindrical geometry.

KEYWORDS:

• Monte–Carlo simulation
• liquid crystals
• continuous site model

Acknowledgments

Thanks to Dr A. Cuetos for his encouraging help during the first stages of the simulations.

Disclosure statement

No potential conflict of interest was reported by the authors.