Generating functionals, consistency, and uniqueness in the integral equation theory of liquids

We discuss and illustrate through numerical examples the relations between generating functionals, thermodynamic consistency (in particular the virial-free energy one), and uniqueness of the solution, in the integral equation theory of liquids. We propose a new approach for deriving closures automatically satisfying such characteristics. Results from a first exploration of this program are presented and discussed.Comment: 27 pages, 5 figure

Phase behavior of a fluid with competing attractive and repulsive interactions

Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive at greater separations are known to exhibit novel phase behavior, including stable inhomogeneous phases. Here we report a joint simulation and theoretical study of such a fluid, focusing on the relationship between the liquid-vapor transition line and any new phases. The phase diagram is studied as a function of the amplitude of the attraction for a certain fixed amplitude of the long ranged repulsion. We find that the effect of the repulsion is to substitute the liquid-vapor critical point and a portion of the associated liquid-vapor transition line, by two first order transitions. One of these transitions separates the vapor from a fluid of spherical liquidlike clusters; the other separates the liquid from a fluid of spherical voids. At low temperature, the two transition lines intersect one another and a vapor-liquid transition line at a triple point. While most integral equation theories are unable to describe the new phase transitions, the Percus Yevick approximation does succeed in capturing the vapor-cluster transition, as well as aspects of the structure of the cluster fluid, in reasonable agreement with the simulation results.Comment: 15 pages, 20 figure

A Homological Approach to Belief Propagation and Bethe Approximations

We introduce a differential complex of local observables given a decomposition of a global set of random variables into subsets. Its boundary operator allows us to define a transport equation equivalent to Belief Propagation. This definition reveals a set of conserved quantities under Belief Propagation and gives new insight on the relationship of its equilibria with the critical points of Bethe free energy.Comment: 14 pages, submitted for the 2019 Geometric Science of Information colloquiu

Structural Information in Two-Dimensional Patterns: Entropy Convergence and Excess Entropy

We develop information-theoretic measures of spatial structure and pattern in more than one dimension. As is well known, the entropy density of a two-dimensional configuration can be efficiently and accurately estimated via a converging sequence of conditional entropies. We show that the manner in which these conditional entropies converge to their asymptotic value serves as a measure of global correlation and structure for spatial systems in any dimension. We compare and contrast entropy-convergence with mutual-information and structure-factor techniques for quantifying and detecting spatial structure.Comment: 11 pages, 5 figures, http://www.santafe.edu/projects/CompMech/papers/2dnnn.htm

Mean Field Renormalization Group for the Boundary Magnetization of Strip Clusters

We analyze in some detail a recently proposed transfer matrix mean field approximation which yields the exact critical point for several two dimensional nearest neighbor Ising models. For the square lattice model we show explicitly that this approximation yields not only the exact critical point, but also the exact boundary magnetization of a semi--infinite Ising model, independent of the size of the strips used. Then we develop a new mean field renormalization group strategy based on this approximation and make connections with finite size scaling. Applying our strategy to the quadratic Ising and three--state Potts models we obtain results for the critical exponents which are in excellent agreement with the exact ones. In this way we also clarify some advantages and limitations of the mean field renormalization group approach.Comment: 16 pages (plain TeX) + 8 figures (PostScript, appended), POLFIS-TH.XX/9