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arXiv:1910.13997 · Journal of Statistical Mechanics Theory and Experiment

Phase transitions in the unconstrained ensemble

Alessandro Campa, Lapo Casetti, Ivan Latella, Stefano Ruffo

Published Jan 1, 2020• 7 citations
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Abstract

Abstract The unconstrained ensemble describes completely open systems in which energy, volume and number of particles fluctuate. Here we show that not only equilibrium states can exist in this ensemble, but also that completely open systems can undergo first-order phase transitions. This is shown by studying a modified version of the Thirring model with attractive and repulsive interactions and with particles of finite size. The model exhibits first-order phase transitions in the unconstrained ensemble, at variance with the analogous model with point-like particles. While unconstrained and grand canonical ensembles are equivalent for this model, we found inequivalence between the unconstrained and isothermal–isobaric ensembles. By comparing the thermodynamic phase diagram in the unconstrained case with that obtained in the isothermal–isobaric ensemble, we show that phase transitions under completely open conditions for this model are different from those in which the number of particles is fixed, highlighting the inequivalence of ensembles.

DOI
10.1088/1742-5468/ab6098

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Abstract The unconstrained ensemble describes completely open systems in which energy, volume and number of particles fluctuate. Here we show that not only equilibrium states can exist in this ensemble, but also that completely open systems can undergo first-order phase transitions. This is shown by studying a modified version of the Thirring model with attractive and repulsive interactions and with particles of finite size. The model exhibits first-order phase transitions in the unconstrained ensemble, at variance with the analogous model with point-like particles. While unconstrained and grand canonical ensembles are equivalent for this model, we found inequivalence between the unconstrained and isothermal–isobaric ensembles. By comparing the thermodynamic phase diagram in the unconstrained case with that obtained in the isothermal–isobaric ensemble, we show that phase transitions under completely open conditions for this model are different from those in which the number of particles is fixed, highlighting the inequivalence of ensembles.
A first order phase transition is found in a model which was introduced originally by Murthy and Shankar [Phys. Rev. B 60, 6517 (1999)] to describe systems of generalised exclusion statistics. I characterise the phase transition in the canonical and grandcanonical ensebles for the case when the statistical exclusion parameter is 1, which corresponds to the Fermi exclusion statistics. We observe that in the grandcanonical ensemble the phase transition has no latent heat, but it has a finite jump in the particle number. In canonical conditions--when the particle number is held fix--the internal energy is discontinuous at the transition.
All ensembles of statistical mechanics are equivalent in the sense that they give the equivalent thermodynamic functions in the thermodynamic limit. However, when investigating microscopic structures in the first-order phase transition region, one must choose an appropriate statistical ensemble. The appropriate choice is particularly important when one investigates finite systems, for which even the equivalence of ensembles does not hold. We propose a class of statistical ensembles, which always give the correct equilibrium state even in the first-order phase transition region. We derive various formulas for this class of ensembles, including the one by which temperature is obtained directly from energy without knowing entropy. Moreover, these ensembles are convenient for practical calculations because of good analytic properties. We also derive formulas which relate statistical-mechanical quantities of different ensembles, including the conventional ones, for finite systems. The formulas are useful for obtaining results with smaller finite-size effects, and for improving the computational efficiency. The advantages of the squeezed ensembles are confirmed by applying them to the Heisenberg model and the frustrated Ising model.
Abstract We study the lifetime of locally stable states in the Thirring model, which describes a system of particles whose interactions are long-range. The model exhibits first-order phase transitions in the canonical ensemble and, therefore, a free energy barrier separates two free energy minima. The energy of the system diffuses as a result of thermal fluctuations and we show that its dynamics can be described by means of a Fokker–Planck equation. Considering an initial state where the energy takes the value corresponding to one of the minima of the free energy, we can define the lifetime of the initial state as the mean first-passage time for the system to reach the top of the free energy barrier between the minima. We use an analytical formula for the mean first-passage time which is based on the knowledge of the exact free energy of the model, even at a finite number of particles. This formula shows that the lifetime of locally stable states increases exponentially in the number of particles, which is a typical feature of systems with long-range interactions. We also perform Monte Carlo simulations in the canonical ensemble in order to obtain the probability distribution of the first-passage time, which turns out to be exponential in time in a long time limit. The numerically obtained mean first-passage time agrees with the theoretical prediction. Combining theory and simulations, our work provides a new insight in the study of metastability in many-body systems with long-range interactions.
It is well known that systems with long-range interactions may exhibit different phase diagrams when studied within two different ensembles. In many of the previously studied examples of ensemble inequivalence, the phase diagrams differ only when the transition in one of the ensembles is first order. By contrast, in a recent study of a generalized ABC model, the canonical and grand-canonical ensembles of the model were shown to differ even when they both exhibit a continuous transition. Here we show that the order of the transition where ensemble inequivalence may occur is related to the symmetry properties of the order parameter associated with the transition. This is done by analyzing the Landau expansion of a generic model with long-range interactions. The conclusions drawn from the generic analysis are demonstrated for the ABC model by explicit calculation of its Landau expansion.
First-order phase transitions are ubiquitous in nature but their presence is often uncertain because of the effects which finite size has on all transitions. In this article we consider a general treatment of size effects on lattice systems with discrete degrees of freedom and which undergo a first-order transition in the thermodynamic limit. We review recent work involving studies of the distribution functions of the magnetization and energy at a first-order transition in a finite sample of size N connected to a bath of size N′. Two cases: N′ = ∞ and N′ = finite are considered. In the former (canonical ensemble) case, the distributions are approximated by a superposition of Gaussians corresponding to the different phases; all finite-size effects then vary as N or 1/N. The latter case involves the Gaussian ensemble where the entropy of the bath has a convenient form; for small N′, first-order transitions are characterized by van der Waals' loops in (for example) the energy vs. temperature curves. Results from extensive Monte Carlo simulations of Ising and Potts models in d = 2 are presented to confirm the predictions. Comparison is made with data from second-order transitions to show that the order of a transition can be distinguished through such studies, although problems still occur for first-order transitions very close to critical points.
Abstract The theory of quantum-mechanical grand canonical ensembles is used to derive for the case of a perfect Bose-Einstein gas the average number of particles in the different energy levels, the fluctuations in these numbers and the equation of state. The Einstein condensation phenomenon is then discussed, and it is shown that in a p-v diagram (v being the specific volume) the isotherm consists of two analytically different parts in the limit where the number of particles in the system, JV, goes to infinity. It is also shown that for finite N at the critical volume ∂np/∂vn is of the order N1/3(n-2) in accordance with a result obtained by Wergeland & Hove-Storhoug.