Monte-Carlo Simulations for model bent-core molecules with fluctuating opening angle

Details Monte-Carlo Simulations for model bent-core molecules with fluctuating opening angle Monte-Carlo Simulations for model bent-core molecules with fluctuating opening angle

2009-04-03

arxiv.org/abs/0904.0666v1

Physics

Condensed Matter

Soft Condensed Matter

14 pages, 8 figures

Scientific paper

We study the effect of fluctuations in opening angle of bent-core molecules on stability of the nematic phases. The molecules are built out of two Gay-Berne centers of $\kappa = 4$, $\kappa ' = 5$, $\mu = 1$ and $\nu = 2$, each corresponding to one of the molecular arms. Constant-pressure Monte Carlo (MC NPT) simulations are carried out for two versions of the model, with fixed- and fluctuating opening angle, where fluctuations are taken harmonic about the angle of 140o. The systems studied are first cooled down from the isotropic liquid to a highly ordered crystalline smectic phase and then heated up all the way back. The liquid crystalline phases found on cooling are uniaxial nematic, biaxial nematic and crystalline, hexagonal biaxial smectic. On heating the biaxial nematic is superseded by the metastable crystalline phase. Similar system with molecules of shorter arms ($\kappa = 3$) was shown to exhibit a wide range of reduced density, where the uniaxial nematic was absolutely stable [Liq. Cryst. 29, 483 (2002)]. For molecules with rigid arms of $\kappa = 4$ and opening angles of 125o, 130o, 135o and 140o a further broadening of the density range of the uniaxial nematic phase is observed. However, the helical superstructures reported for $\kappa = 3$ do not show up for $\kappa = 4$.

Affiliated with

Also associated with

No associations

Rating

Monte-Carlo Simulations for model bent-core molecules with fluctuating opening angle does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Monte-Carlo Simulations for model bent-core molecules with fluctuating opening angle, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Monte-Carlo Simulations for model bent-core molecules with fluctuating opening angle will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-122895