Thoroughly analysis of the phase diagram for the Bell-Lavis model: An entropic simulational study

Abstract

In this work, we investigate the Bell-Lavis model using entropic simulations for several values of the energy parameters. The $T\times \mu$ phase diagram and the ground state configurations are analyzed thoroughly. Besides, we examine the particle density and specific heat behavior for different values of the chemical potential $\mu$ as functions of temperature. We also obtain configurations that maximize the canonical probability for several values of chemical potential and temperature, enabling the identification of the low density ($LDL$) and high-density liquid ($HDL$) phases, among others, in the critical regions. We found a second-order phase transition from the $LDL-HD{L}_0$ to $LDL-HDL$ coexistence in the range of $0<\mu <1.05503$. In the $1.05503<\mu <1.48024$ range, the transition between the $LDL-HD{L}_0$ and $LDL-HD{L}_0-empty$ coexistence presents discontinuous and continuous transitions characteristics. Finally, for $1.48024<\mu <1.5$, the phase transition between $LDL$ and $empty$ phases is of first-order.

arXiv comment10 pages, 12 figures

References in corpus (18)

• Determining the density of states for classical statistical models: A random walk algorithm to produce a flat histogram
• Generic mechanism for generating a liquid-liquid phase transition
• Phase behavior of a system of particles with core collapse
• The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water, Part II
• Metastable liquid-liquid coexistence and density anomalies in a core-softened fluid
• Water-Like Anomalies for Core-Softened Models of Fluids: Two-Dimensional Systems
• Water-like anomalies for core-softened models of fluids: One dimension
• Liquid Polymorphism and Density Anomaly in a Lattice Gas Model
• Wang-Landau sampling: Improving accuracy
• Liquid polymorphism, order-disorder transitions and anomalous behavior: a Monte Carlo study of the Bell-Lavis model for water
• Cluster-variation approximation for a network-forming lattice-fluid model
• Wang-Landau sampling: a criterion for halting the simulations
• General approach for studying first-order phase transitions at low temperatures
• Diffusion anomaly and dynamic transitions in the Bell-Lavis water model
• Exploiting a semi-analytic approach to study first order phase transitions
• Critical behavior of the spin-$1/2$ Baxter-Wu model: Entropic sampling simulations
• A simple protocol for the probability weights of the simulated tempering algorithm: applications to first-order phase transitions
• Hydration and anomalous solubility of the Bell-Lavis model as solvent

Cited by in corpus (1)

• An entropic simulational study of the spin-$1$ Baxter-Wu model in a crystal field