Fluids of strongly interacting dipoles: Monte Carlo sampling using Tsallis statistics. (English) Zbl 0978.82090
Summary: Monte Carlo simulations of dipolar hard-sphere fluids in a generalized ensemble based on the physical realisation of Tsallis probabilities are reported. The new algorithm leads to a significantly better sampling than the standard Monte Carlo method. At very low densities, when the dipolar system is characterized by the presence of polymeric chains of head-to-tail aligned dipoles, simulations with \(q>1\) may exhibit a better convergence to equilibrium. The improved sampling can be explained by the use in the generalized ensemble of an effective dipolar potential with a \(q\)-dependent anisotropy.
MSC:
| 82D15 | Statistical mechanics of liquids |
| 82B80 | Numerical methods in equilibrium statistical mechanics (MSC2010) |
| 82B30 | Statistical thermodynamics |
References:
| [1] | Wei, D.; Patey, G. N., Phys. Rev. Lett., 68, 2043 (1992) |
| [2] | Wei, D.; Patey, G. N., Phys. Rev. A, 46, 7783 (1992) |
| [3] | Weis, J. J.; Levesque, D.; Zarragoicoechea, G. J., Phys. Rev. Lett., 69, 913 (1992) |
| [4] | Weis, J. J.; Levesque, D., Phys. Rev. Lett., 71, 2729 (1993) |
| [5] | Weis, J. J.; Levesque, D., Phys. Rev. E, 48, 3728 (1993) |
| [6] | Weis, J. J.; Levesque, D., Phys. Rev. Lett., 71, 2729 (1993) |
| [7] | Stevens, M. J.; Grest, G. S., Phys. Rev. Lett., 72, 3686 (1994) |
| [8] | Stevens, M. J.; Grest, G. S., Phys. Rev. B, 51, 5962 (1995) |
| [9] | Caillol, J. M., J. Chem. Phys., 98, 9835 (1993) |
| [10] | van Leeuwen, M.; Smit, B., Phys. Rev. Lett., 71, 3991 (1993) |
| [11] | Blair, M. J.; Patey, G. N., Phys. Rev. E, 57, 5682 (1998) |
| [12] | Ayton, G.; Gingras, M. J.P.; Patey, G. N., Phys. Rev. Lett., 75, 2360 (1995) |
| [13] | Ayton, G.; Gingras, M. J.P.; Patey, G. N., Phys. Rev. E, 56, 562 (1997) |
| [14] | Tavares, J. M.; Weis, J. J.; Telo da Gama, M. M., Phys. Rev. E, 59, 4388 (1999) |
| [15] | Davis, S. W.; McCausland, W.; McGahagan, H. C.; Tanaka, C. T.; Widom, M., Phys. Rev. E, 59, 2424 (1999) |
| [16] | Costa Cabral, B. J., J. Chem. Phys., 4351, 112 (2000) |
| [17] | Teixeira, P. I.C.; Tavares, J. M.; Telo da Gama, M. M., J. Phys.: Condens. Matter, 12, R411 (2000) |
| [18] | Tsallis, C., J. Stat. Phys., 52, 479 (1988) · Zbl 1082.82501 |
| [19] | Curado, E. M.F.; Tsallis, C., J. Phys. A, 24, L69 (1991) |
| [20] | Tsallis, C., Braz. J. Phys., 29, 1 (1999) |
| [21] | Andricioaei, I.; Straub, J. E., Phys. Rev. E, 53, R3055 (1996) |
| [22] | Andricioaei, I.; Straub, J. E., Physica A, 247, 553 (1997) |
| [23] | Andricioaei, I.; Straub, J. E., J. Chem. Phys., 107, 9117 (1997) |
| [24] | Hansmann, U. H.E.; Okamoto, Y., Phys. Rev. E, 56, 2228 (1997) |
| [25] | Hansmann, U. H.E.; Eisenmenger, F.; Okamoto, Y., Chem. Phys. Lett., 297, 374 (1998) |
| [26] | Pak, Y.; Wang, S., J. Chem. Phys., 111, 4359 (1999) |
| [27] | Iwamatsu, M.; Okabe, Y., Physica A, 278, 414 (2000) |
| [28] | Salazar, R.; Toral, R., Physica A, 283, 59 (2000) |
| [29] | Lima, A. R.; Sá Martins, J. S.; Penna, T. J.P., Physica A, 268, 553 (1999) |
| [30] | Kusalik, P. G., J. Chem. Phys., 93, 3520 (1990) |
This reference list is based on information provided by the publisher or from digital mathematics libraries. Its items are heuristically matched to zbMATH identifiers and may contain data conversion errors. In some cases that data have been complemented/enhanced by data from zbMATH Open. This attempts to reflect the references listed in the original paper as accurately as possible without claiming completeness or a perfect matching.
