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Physical Review Letters

New Monte Carlo technique for studying phase transitions

Alan M. Ferrenberg, Robert H. Swendsen

Published Dec 5, 1988• 2,675 citations
Publisher

Abstract

We present a new method for using the data from Monte Carlo simulations that can increase the efficiency by 2 or more orders of magnitude. A single Monte Carlo simulation is sufficient to obtain complete thermodynamic information over the entire scaling region near a phase transition. The accuracy of the method is demonstrated by comparison with exact results for the d=2 Ising model. New results for d=2 eight-state Potts model are also presented. The method is generally applicable to statistical models and lattice-gauge theories.

DOI
10.1103/physrevlett.61.2635

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We present a new method for using the data from Monte Carlo simulations that can increase the efficiency by 2 or more orders of magnitude. A single Monte Carlo simulation is sufficient to obtain complete thermodynamic information over the entire scaling region near a phase transition. The accuracy of the method is demonstrated by comparison with exact results for the d=2 Ising model. New results for d=2 eight-state Potts model are also presented. The method is generally applicable to statistical models and lattice-gauge theories.
A new class of Monte Carlo methods is introduced. The approach is devised to be especially useful for studying critical phenomena and phase transitions. The method can sample the critical point without a priori knowledge of the critical temperature. The method is first verified for Ising and Potts models. It is shown that the method also efficiently simulates the coexistence region near first-order transitions. The method is applied to dilute Ising models for studying disorder effects on critical phenomena. The dynamic properties of the method are investigated numerically. Finally a parallel version of the method is described and high-precision numerical results for the critical point of three-dimensional Ising models are presented.
Using the ``multihit'' Swendsen-Wang cluster flipping method, we performed extensive Monte Carlo simulations to investigate the critical behavior of the two-dimensional (2D) eight-state random-bond Potts model. We applied finite-size-scaling techniques to extract the critical exponents for two different sets of bond strengths, from which we concluded that the transition is second order with critical exponents for both sets falling into same universality class, that of a 2D Ising model. A variation of the Lee-Kosterlitz method for determining the order of a phase transition was also applied. The double-peaked structure of the specific heat, which was found in some of the bond configurations, was also studied by simulation on periodic arrangements of strong and weak bonds.
The Monte Carlo method provides accurate values for the thermal and magnetic properties of magnetic systems of localized moments. The basic ‘importance sampling’ technique is described and a critique of the method is presented. The relative accuracy of the method is demonstrated by direct comparison with both exact results for the Ising square lattice and with other approximate theories. The wide applicability of the Monte Carlo approach is shown through the presentation of results of general thermodynamic properties as well as both critical and tricritical phenomena in systems with diverse Hamiltonians. In addition, the method has been applied to systems which do not undergo cooperative transitions and to some complex models of several real magnetic systems. Recent work involving investigations of the dynamic behavior of the Ising model is also discussed.
We present and demonstrate an accurate, reliable, and computationally cheap method for the calculation of free energies in Monte Carlo simulations of lattice models. Even in the critical region it yields good results with comparatively short simulation runs. The method combines upper and lower bounds on the thermodynamic limit entropy density to yield not only an accurate estimate of the free energy but a bound on the possible error as well. The method is demonstrated on the two- and three-dimensional Ising models and the three-dimensional, three-states Potts model.
The Monte Carlo method is used to study phase transitions in the two-dimensional Potts model with the number of states spin q=3 on square and hexagonal lattices. Considered systems with linear dimensions Lx L=N, L=21/102. The obtained numerical data indicate that in the considered In the Potts model, a second-order phase transition is observed in accordance with the analytical theory. The Binder cumulants method of the fourth order determines the values of the critical points of the Potts model on different lattices. Keywords: Phase transitions, Potts model, Monte Carlo, thermodynamic parameters, critical temperature.