Implementation of the Hierarchical Reference Theory for simple one-component fluids

Combining renormalization group theoretical ideas with the integral equation approach to fluid structure and thermodynamics, the Hierarchical Reference Theory is known to be successful even in the vicinity of the critical point and for sub-critical temperatures. We here present a software package independent of earlier programs for the application of this theory to simple fluids composed of particles interacting via spherically symmetrical pair potentials, restricting ourselves to hard sphere reference systems. Using the hard-core Yukawa potential with z=1.8/sigma for illustration, we discuss our implementation and the results it yields, paying special attention to the core condition and emphasizing the decoupling assumption's role.Comment: RevTeX, 16 pages, 2 figures. Minor changes, published versio

Phase diagram of symmetric binary mixtures at equimolar and non-equimolar concentrations: a systematic investigation

We consider symmetric binary mixtures consisting of spherical particles with equal diameters interacting via a hard-core plus attractive tail potential with strengths epsilon_{ij}, i,j=1,2, such that epsilon_{11} = epsilon_{22} > epsilon_{12}. The phase diagram of the system at all densities and concentrations is investigated as a function of the unlike-to-like interaction ratio delta = epsilon_{12}/epsilon_{11} by means of the hierarchical reference theory (HRT). The results are related to those of previous investigations performed at equimolar concentration, as well as to the topology of the mean-field critical lines. As delta is increased in the interval 0 < delta < 1, we find first a regime where the phase diagram at equal species concentration displays a tricritical point, then one where both a tricritical and a liquid-vapor critical point are present. We did not find any clear evidence of the critical endpoint topology predicted by mean-field theory as delta approaches 1, at least up to delta=0.8, which is the largest value of delta investigated here. Particular attention was paid to the description of the critical-plus-tricritical point regime in the whole density-concentration plane. In this situation, the phase diagram shows, in a certain temperature interval, a coexistence region that encloses an island of homogeneous, one-phase fluid.Comment: 27 pages + 20 figure

Recent developments of the Hierarchical Reference Theory of Fluids and its relation to the Renormalization Group

The Hierarchical Reference Theory (HRT) of fluids is a general framework for the description of phase transitions in microscopic models of classical and quantum statistical physics. The foundations of HRT are briefly reviewed in a self-consistent formulation which includes both the original sharp cut-off procedure and the smooth cut-off implementation, which has been recently investigated. The critical properties of HRT are summarized, together with the behavior of the theory at first order phase transitions. However, the emphasis of this presentation is on the close relationship between HRT and non perturbative renormalization group methods, as well as on recent generalizations of HRT to microscopic models of interest in soft matter and quantum many body physics.Comment: 17 pages, 5 figures. Review paper to appear in Molecular Physic

Phase transitions in simple and not so simple binary fluids

Compared to pure fluids, binary mixtures display a very diverse phase behavior, which depends sensitively on the parameters of the microscopic potential. Here we investigate the phase diagrams of simple model mixtures by use of a microscopic implementation of the renormalization group technique. First, we consider a symmetric mixture with attractive interactions, possibly relevant for describing fluids of molecules with internal degrees of freedom. Despite the simplicity of the model, slightly tuning the strength of the interactions between unlike species drastically changes the topology of the phase boundary, forcing or inhibiting demixing, and brings about several interesting features such as double critical points, tricritical points, and coexistence domains enclosing `islands' of homogeneous, mixed fluid. Homogeneous phase separation in mixtures can be driven also by purely repulsive interactions. As an example, we consider a model of soft particles which has been adopted to describe binary polymer solutions. This is shown to display demixing (fluid-fluid) transition at sufficiently high density. The nature and the physical properties of the corresponding phase transition are investigated.Comment: 6 pages + 3 figures, presented at the 5th EPS Liquid Matter Conference, Konstanz, 14-18 September 200

Smooth cutoff formulation of hierarchical reference theory for a scalar phi4 field theory

The phi4 scalar field theory in three dimensions, prototype for the study of phase transitions, is investigated by means of the hierarchical reference theory (HRT) in its smooth cutoff formulation. The critical behavior is described by scaling laws and critical exponents which compare favorably with the known values of the Ising universality class. The inverse susceptibility vanishes identically inside the coexistence curve, providing a first principle implementation of the Maxwell construction, and shows the expected discontinuity across the phase boundary, at variance with the usual sharp cutoff implementation of HRT. The correct description of first and second order phase transitions within a microscopic, nonperturbative approach is thus achieved in the smooth cutoff HRT.Comment: 8 pages, 4 figure

Condensate Fraction of a Fermi Gas in the BCS-BEC Crossover

We investigate the Bose-Einstein condensation of Fermionic pairs in a uniform two-component Fermi gas obtaining an explicit formula for the condensate density as a function of the chemical potential and the energy gap. We analyze the condensate fraction in the crossover from the Bardeen-Cooper-Schrieffer (BCS) state of weakly-interacting Cooper pairs to the Bose-Einstein Condensate (BEC) of molecular dimers. By using the local density approximation we study confined Fermi vapors of alkali-metal atoms for which there is experimental evidence of condensation also on the BCS side of the Feshbach resonance. Our theoretical results are in agreement with these experimental data and give the behavior of the condensate on both sides of the Feshbach resonance at zero temperature.Comment: 5 pages, 2 figure

Magneto-elastic effects and magnetization plateaus in two dimensional systems

We show the importance of both strong frustration and spin-lattice coupling for the stabilization of magnetization plateaus in translationally invariant two-dimensional systems. We consider a frustrated spin-1/2 Heisenberg model coupled to adiabatic phonons under an external magnetic field. At zero magnetization, simple structures with two or at most four spins per unit cell are stabilized, forming dimers or $2 \times 2$ plaquettes, respectively. A much richer scenario is found in the case of magnetization $m=1/2$, where larger unit cells are formed with non-trivial spin textures and an analogy with the corresponding classical Ising model is detectable. Specific predictions on lattice distortions and local spin values can be directly measured by X-rays and Nuclear Magnetic Resonance experiments.Comment: 4 pages and 4 figure