Entropy driven formation of Smectic C in system of Zig-zag shaped molecules
Prabal K. Maiti, Yves Lansac, Matthew A. Glaser, Noel A. Clark
Abstract
We have carried out Monte Carlo simulations of zig-zag shaped molecules where the the molecules is composed of three rigidly linked hard spherocylinder arranged in a zigzag fashion. By varying zigzag angle we have mapped out the whole phase diagram as a function of pressure, molecular density and zigzag angle
Ψ
. For
Ψ
between
35
0
and
80
0
our model simulation exhibits SmC phase. This is the first conclusive evidence where steric interaction arising out of molecular shape alone induce the occurrence of SmC phase for a wide range of zigzag angle. For smaller
Ψ
, a transition from tilted crystal (XT) to nontlted crystal is observed.