A Monte Carlo Simulation Study of Orientational Domain Clusters in the Planar Quadrupole Model
- 1 November 1987
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 1 (1-2) , 47-66
- https://doi.org/10.1080/08927028708080930
Abstract
We have carried out a series of Monte Carlo simulations of the planar quadrupole model, using the Distributed Array Processor. A very large system size, 16 384 molecules, was employed, and special attention was given to orientational domain clustering near the order—disorder transition. Very slow fluctuations of the orientational order parameter, possibly associated with switching from one orientational domain to another, are observed. Close to the phase transition, domain clusters become extremely ramified, with highly irregular borders. On heating through the transition, the low-temperature dominant domain disappears, essentially by becoming a fractal object. The associated Hausdorff dimension decreases from D = 2 to D = 1.6 as this occurs. Although our results are consistent with a continuous, rather than a first-order, phase transition, effects of finite system size and long time scales prevent us from drawing a definite conclusion on this point.Keywords
This publication has 14 references indexed in Scilit:
- Parallel computation of cluster properties: application to 2D percolationJournal of Physics A: General Physics, 1987
- Finite-size effects at temperature-driven first-order transitionsPhysical Review B, 1986
- Computer simulation of molecular liquid mixtures. I. A diatomic Lennard-Jones model mixture for CO2/C2H6The Journal of Chemical Physics, 1986
- Orientational phases of a quadrupolar bilayerPhysical Review B, 1982
- Orientational Ordering of Nitrogen Molecular Axes for a Commensurate Monolayer Physisorbed on GraphitePhysical Review Letters, 1982
- Fluctuation-Induced First-Order Phase Transition in an Anisotropic Planar Model ofon GraphitePhysical Review Letters, 1982
- Neutron Scattering as a Probe of the Orientational Ordering of Nitrogen Molecules on GraphitePhysical Review Letters, 1979
- Orientational phases of classical quadrupoles on a triangular netChemical Physics Letters, 1979
- Neutron Scattering from Nitrogen Adsorbed on Basal-Plane-Oriented GraphitePhysical Review Letters, 1974
- Dynamic properties of the Monte Carlo method in statistical mechanicsJournal of Statistical Physics, 1973