Exploiting a semi-analytic approach to study first order phase transitions

Abstract

In a previous contribution, Phys. Rev. Lett 107, 230601 (2011), we have proposed a method to treat first order phase transitions at low temperatures. It describes arbitrary order parameter through an analytical expression $W$, which depends on few coefficients. Such coefficients can be calculated by simulating relatively small systems, hence with a low computational cost. The method determines the precise location of coexistence lines and arbitrary response functions (from proper derivatives of $W$). Here we exploit and extend the approach, discussing a more general condition for its validity. We show that in fact it works beyond the low $T$ limit, provided the first order phase transition is strong enough. Thus, $W$ can be used even to study athermal problems, as exemplified for a hard-core lattice gas. We furthermore demonstrate that other relevant thermodynamic quantities, as entropy and energy, are also obtained from $W$. To clarify some important mathematical features of the method, we analyze in details an analytically solvable problem. Finally, we discuss different representative models, namely, Potts, Bell-Lavis, and associating gas-lattice, illustrating the procedure broad applicability.

12 pages, 15 figures, accepted for publication in Journal of Chemical Physics (2013)

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Cited by in corpus (10)

• Multiple Phase Transitions in Extended Hard Core Lattice Gas Models in Two Dimensions
• The High Density Phase of the $k$-NN Hard Core Lattice Gas Model
• Phase Transitions in Hardcore Lattice Gases on the Honeycomb Lattice
• Current fluctuations in nonequilibrium discontinuous phase transitions
• A comparative study of selected parallel tempering methods
• Determining efficient temperature sets for the simulated tempering method
• Kinetics of first-order phase transitions from microcanonical thermostatistics
• Thoroughly analysis of the phase diagram for the Bell-Lavis model: An entropic simulational study
• Efficient simulated tempering with approximated weights: Applications to first-order phase transitions
• Rejection-free cluster Wang-Landau algorithm for hard-core lattice gases