Extending canonical Monte Carlo methods

Abstract

In this work, we discuss the implications of a recently obtained equilibrium fluctuation-dissipation relation on the extension of the available Monte Carlo methods based on the consideration of the Gibbs canonical ensemble to account for the existence of an anomalous regime with negative heat capacities $C<0$. The resulting framework appears as a suitable generalization of the methodology associated with the so-called \textit{dynamical ensemble}, which is applied to the extension of two well-known Monte Carlo methods: the Metropolis importance sample and the Swendsen-Wang clusters algorithm. These Monte Carlo algorithms are employed to study the anomalous thermodynamic behavior of the Potts models with many spin states $q$ defined on a $d$-dimensional hypercubic lattice with periodic boundary conditions, which successfully reduce the exponential divergence of decorrelation time $\tau$ with the increase of the system size $N$ to a weak power-law divergence $\tau \propto N^{\alpha }$ with $\alpha \approx 0.2$ for the particular case of the 2D 10-state Potts model.

Version accepted for publication in JSTAT

References in corpus (4)

• The generalized canonical ensemble and its universal equivalence with the microcanonical ensemble
• Thermodynamic fluctuation relation for temperature and energy
• Optimized multicanonical simulations: a new proposal based on classical fluctuation theory
• Geometrical aspects and connections of the energy-temperature fluctuation relation

Cited by in corpus (5)

• Geometrical aspects and connections of the energy-temperature fluctuation relation
• Equilibrium fluctuation theorems compatible with anomalous response
• Improving the efficiency of Monte Carlo simulations of systems that undergo temperature-driven phase transitions
• Extended canonical Monte Carlo methods: Improving accuracy of microcanonical calculations using a re-weighting technique
• Understanding critical behavior in the framework of the extended equilibrium fluctuation theorem