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Physica A Statistical Mechanics and its Applications

Monte Carlo simulation with fluctuating boundary conditions

Martin Hasenbusch B

Published Aug 1, 1993• 35 citations
Publisher
DOI
10.1016/0378-4371(93)90593-s

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A generalization of periodic boundary conditions to incorporate fluctuations with wavelength larger than the system size is discussed. These boundary conditions are applied to Monte Carlo calculations on the two-dimensional XY\mathrm{XY}XY model. The finite-size effect on the vortex-vortex correlation function, and thereby the dielectric function, is shown to be virtually eliminated. These Monte Carlo data are shown to be in excellent agreement with the Kosterlitz renormalization group equations, and the critical temperature is found to be Tc=0.8922(2){T}_{c}=0.8922(2)Tc​=0.8922(2).
An alternative to periodic boundary conditions is developed and tested in Monte Carlo simulations of the two- and three-dimensional Ising models. The boundary conditions are based on a mean-field approach that incorporates consistency constraints for the magnetization and correlations between nearest neighbors by means of an effective field and an extra coupling between nearest neighbors at the boundary of the simulation box. During the simulation the self-consistent equations are solved, and statistics are accumulated to obtain thermodynamic averages. In comparison with the standard periodic boundary conditions the method gives a more accurate estimation of nonuniversal magnitudes, such as the transition temperature and the behavior of the magnetization, but it cannot compete with the accuracy of other strategies such as finite-size scaling theory or Monte Carlo renormalization group to obtain critical exponents.