Entropy driven formation of Smectic C in system of Zig-zag shaped molecules

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.