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Monte Carlo study of the isotropic and nematic phases of infinitely thin hard platelets
Abstract
We present the results of a detailed Monte Carlo study of the phase diagram of infinitely thin hard platelets. A weak first order isotropicnematic transition is observed. The equation of state in the isotropic regime is compared with several current theories, none of which is found to be fully satisfactory. The density dependence of the nematic order parameter is found to be compatible with a ‘critical’ exponent β=0·25. A study of the fluctuations of the order parameter in the isotropic phase casts doubt on the applicability of the Landau-de Gennes expression for the free energy. We observe that the relation between the nematic order parameters and is compatible with the predictions of mean-field theory. Practical aspects of the computation are discussed. A novel method to compute the pressure in a constant-volume Monte Carlo run is presented.
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Cites
The Physics of Liquid Crystals
de Gennes, P. G., Prost, J., & Pelcovits, R. (1995) · Physics Today · doi:10.1063/1.2808028 · Cited by 9,722
THE EFFECTS OF SHAPE ON THE INTERACTION OF COLLOIDAL PARTICLES
Onsager, L. (1949) · Annals of the New York Academy of Sciences · doi:10.1111/j.1749-6632.1949.tb27296.x · Cited by 4,934
Van der Waals Picture of Liquids, Solids, and Phase Transformations
Chandler, D., Weeks, J. D., & Andersen, H. C. (1983) · Science · doi:10.1126/science.220.4599.787 · Cited by 602
Statistical Mechanics: Part A: Equilibrium Techniques
(1977) · Springer eBooks · doi:10.1007/978-1-4684-2553-6 · Cited by 594
Fifth and Sixth Virial Coefficients for Hard Spheres and Hard Disks
Ree, F. H., & Hoover, W. G. (1964) · The Journal of Chemical Physics · doi:10.1063/1.1725286 · Cited by 523
Monte Carlo Calculations for Hard Disks in the Isothermal-Isobaric Ensemble
Wood, W. W. (1968) · The Journal of Chemical Physics · doi:10.1063/1.1667938 · Cited by 260
Molecular dynamics simulation of a fluid of hard spherocylinders
Rebertus, D. W., & Sando, K. M. (1977) · The Journal of Chemical Physics · doi:10.1063/1.435226 · Cited by 113
Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Anderson, J. A., Glaser, J., & Glotzer, S. C. (2020) · Computational Materials Science · doi:10.1016/j.commatsci.2019.109363 · Cited by 719
Gloor, G. J., Jackson, G., Blas, F. J., & de Miguel, E. (2005) · The Journal of Chemical Physics · doi:10.1063/1.2038827 · Cited by 395
Computer simulations in the Gibbs ensemble
Smit, B., De Smedt, P., & Frenkel, D. (1989) · Molecular Physics · doi:10.1080/00268978900102641 · Cited by 351
Self-citationAllen, M. P., Evans, G. T., Frenkel, D., & Mulder, B. M. (1993) · Advances in Chemical Physics · doi:10.1002/9780470141458.ch1 · Cited by 332
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Metadata
- Authors
- Eppenga, R., & Frenkel, D.
- Venue
- Molecular Physics
- Publisher
- Informa UK Limited
- Published
- 1984-08-20
- Volume
- 52
- Issue
- 6
- Pages
- 1303-1334
- ISSN
- 0026-8976 (ISSN-L)
- 1362-3028
- OpenAlex
- W1993320948
- Cited by
- 717
- References
- 7
- FWCI
- 6.91
- Type
- journal article
- Language
- en
- Open access
- closed
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