Isotropic-nematic interfacial tension of hard and soft rods: application of advanced grand canonical biased sampling techniques
arXiv:cond-mat/0506370 · doi:10.1063/1.2000237
Abstract
Coexistence between the isotropic and the nematic phase in suspensions of rods is studied using grand canonical Monte Carlo simulations with a bias on the nematic order parameter. The biasing scheme makes it possible to estimate the interfacial tension gamma in systems of hard and soft rods. For hard rods with L/D=15, we obtain gamma ~ 1.4 kB T/L^2, with L the rod length, D the rod diameter, T the temperature, and kB the Boltzmann constant. This estimate is in good agreement with theoretical predictions, and the order of magnitude is consistent with experiments.
arXiv comment10 pages, 10 figures
References in corpus (10)
- An efficient, multiple range random walk algorithm to calculate the density of states
- Multicanonical Ensemble: A New Approach to Simulate First-order Phase Transitions
- Computer simulation of fluid phase transitions
- The fluid-fluid interface in a model colloid-polymer mixture: Application of grand canonical Monte Carlo to asymmetric binary mixtures
- Properties of Interfaces in the two and three dimensional Ising Model
- Molecular Dynamics Study of the Nematic-Isotropic Interface
- Surface tension of the isotropic-nematic interface
- Interfacial tension of the isotropic--nematic interface in suspensions of soft spherocylinders
- The Confined-Deconfined Interface Tension in Quenched QCD using the Histogram Method
- Free planar isotropic-nematic interfaces in binary hard-rod fluids
Cited by in corpus (12)
- The isotropic-nematic interface in suspensions of hard rods: Mean-field properties and capillary waves
- Depletion induced isotropic-isotropic phase separation in suspensions of rod-like colloids
- Self-assembly of hard helices: a rich and unconventional polymorphism
- Computing the phase diagram of binary mixtures: a patchy particle case study
- First-order phase transitions in two-dimensional off-lattice liquid crystals
- The isotropic-nematic transition for hard rods on a three--dimensional (3D) cubic lattice
- Nematic-Isotropic Interfaces Under Shear: A Molecular Dynamics Simulation
- Nematic liquid crystals at rough and fluctuating interfaces
- Surface tension of isotropic-nematic interfaces: Fundamental Measure Theory for hard spherocylinders
- Isotropic-nematic transition in liquid crystals confined between rough walls
- Fluctuating Interfaces in Liquid Crystals
- Binary mixtures of rod-like colloids under shear: microscopically-based equilibrium theory and order--parameter dynamics