A. Casey et P. Harrowell, MONTE-CARLO SIMULATIONS OF A LAYERING TRANSITION IN HARD PARALLELEPIPEDS, The Journal of chemical physics, 103(14), 1995, pp. 6143-6150
We describe a new layered phase, the discotic smectic, found in Monte
Carlo simulations of hard parallelepipeds: This phase differs from the
existing smectic A phase in that the shortest particle axis, rather t
han the longest, is aligned perpendicular to the layers. A range of pa
rticle shapes with dimensions varying from 5 X 1 X 1 (''rods'') to 5 X
1 X 5 (''tiles'') has been studied. We identify the important role pl
ayed by correlations arising from the stacking of flat surfaces in sta
bilizing the layered order. We find that 5 X 1 X 1 rods can also exhib
it such correlations through orientational disorder. Over this range o
f particle shapes no nematic phase is observed. (C) 1995 American Inst
itute of Physics.