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Phase transitions in the unconstrained ensemble

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 Added by Ivan Latella
 Publication date 2019
  fields Physics
and research's language is English




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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.



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The unconstrained ensemble describes completely open systems whose control parameters are chemical potential, pressure, and temperature. For macroscopic systems with short-range interactions, thermodynamics prevents the simultaneous use of these intensive variables as control parameters, because they are not independent and cannot account for the system size. When the range of the interactions is comparable with the size of the system, however, these variables are not truly intensive and may become independent, so equilibrium states defined by the values of these parameters may exist. Here, we derive a Monte Carlo algorithm for the unconstrained ensemble and show that simulations can be performed using chemical potential, pressure, and temperature as control parameters. We illustrate the algorithm by applying it to physical systems where either the system has long-range interactions or is confined by external conditions. The method opens up a new avenue for the simulation of completely open systems exchanging heat, work, and matter with the environment.
Completely open systems can exchange heat, work, and matter with the environment. While energy, volume, and number of particles fluctuate under completely open conditions, the equilibrium states of the system, if they exist, can be specified using the temperature, pressure, and chemical potential as control parameters. The unconstrained ensemble is the statistical ensemble describing completely open systems and the replica energy is the appropriate free energy for these control parameters from which the thermodynamics must be derived. It turns out that macroscopic systems with short-range interactions cannot attain equilibrium configurations in the unconstrained ensemble, since temperature, pressure, and chemical potential cannot be taken as a set of independent variables in this case. In contrast, we show that systems with long-range interactions can reach states of thermodynamic equilibrium in the unconstrained ensemble. To illustrate this fact, we consider a modification of the Thirring model and compare the unconstrained ensemble with the canonical and grand canonical ones: the more the ensemble is constrained by fixing the volume or number of particles, the larger the space of parameters defining the equilibrium configurations.
We examine the zero-temperature phase diagram of the two-dimensional Levin-Wen string-net model with Fibonacci anyons in the presence of competing interactions. Combining high-order series expansions around three exactly solvable points and exact diagonalizations, we find that the non-Abelian doubled Fibonacci topological phase is separated from two nontopological phases by different second-order quantum critical points, the positions of which are computed accurately. These trivial phases are separated by a first-order transition occurring at a fourth exactly solvable point where the ground-state manifold is infinitely many degenerate. The evaluation of critical exponents suggests unusual universality classes.
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