Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2003-04-03
The Journal of Physical Chemistry B 107, 9514-9519 (2003)
Physics
Condensed Matter
Soft Condensed Matter
RevTeX4, 10 pages, 8 figures, submitted to J. Phys. Chem. B
Scientific paper
10.1021/jp0345001
We investigated the nematic to smectic transition undergone by parallel hard spherocylinders in the framework provided by the residual multi-particle entropy (RMPE) formalism. The RMPE is defined as the sum of all contributions to the configurational entropy of the fluid which arise from density correlations involving more than two particles. The vanishing of the RMPE signals the structural changes which take place in the system for increasing pressures. Monte Carlo simulations carried out for parallel hard spherocylinders show that such a one-phase ordering criterion accurately predicts also the nematic-smectic transition threshold notwithstanding the almost continuous character of the transition. A similar quantitative correspondence had been already noted in the case of an isotropic fluid of freely rotating hard spherocylinders undergoing a transition to a nematic, smectic or solid phase. The present analysis confirms the flexibility of the RMPE approach as a practical and reliable tool for detecting the formation of mesophases in model liquid-crystal systems.
Costa Dino
Giaquinta Paolo V.
Saija Franz
No associations
LandOfFree
Smectic ordering of parallel hard spherocylinders: An entropy-based Monte Carlo study 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 Smectic ordering of parallel hard spherocylinders: An entropy-based Monte Carlo study, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Smectic ordering of parallel hard spherocylinders: An entropy-based Monte Carlo study will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-730045