The spin-echo system reconsidered

Simple models have played an important role in the discussion of foundational issues in statistical mechanics. Among them the spin--echo system is of particular interest since it can be realized experimentally. This has led to inferences being drawn about approaches to the foundations of statistical mechanics, particularly with respect to the use of coarse-graining. We examine these claims with the help of computer simulations

Lattice Model for water-solute mixtures

A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction solute/solvent is controlled by tuning the energy interactions between the patches of ALG model. We have studied three set of parameters, resulting on, hydrophilic, inert and hydrophobic interactions. Extensive Monte Carlo simulations were carried out and the behavior of pure components and the excess properties of the mixtures have been studied. The pure components: water (solvent) and solute, have quite similar phase diagrams, presenting: gas, low density liquid, and high density liquid phases. In the case of solute, the regions of coexistence are substantially reduced when compared with both the water and the standard ALG models. A numerical procedure has been developed in order to attain series of results at constant pressure from simulations of the lattice gas model in the grand canonical ensemble. The excess properties of the mixtures: volume and enthalpy as the function of the solute fraction have been studied for different interaction parameters of the model. Our model is able to reproduce qualitatively well the excess volume and enthalpy for different aqueous solutions. For the hydrophilic case, we show that the model is able to reproduce the excess volume and enthalpy of mixtures of small alcohols and amines. The inert case reproduces the behavior of large alcohols such as, propanol, butanol and pentanol. For last case (hydrophobic), the excess properties reproduce the behavior of ionic liquids in aqueous solution.Comment: 28 pages, 13 figure

Anomalous latent heat in non-equilibrium phase transitions

We study first-order phase transitions in a two-temperature system, where due to the time-scale separation all the basic thermodynamical quantities (free energy, entropy, etc) are well-defined. The sign of the latent heat is found to be counterintuitive: it is positive when going from the phase where the temperatures and the entropy are higher to the one where these quantities are lower. The effect exists only out of equilibrium and requires conflicting interactions. It is displayed on a lattice gas model of ferromagnetically interacting spin-1/2 particles.Comment: 4 pages, 2 figure

Two-dimensional lattice-fluid model with water-like anomalies

We investigate a lattice-fluid model defined on a two-dimensional triangular lattice, with the aim of reproducing qualitatively some anomalous properties of water. Model molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three bonding arms. Bond formation depends both on orientation and local density. We work out phase diagrams, response functions, and stability limits for the liquid phase, making use of a generalized first order approximation on a triangle cluster, whose accuracy is verified, in some cases, by Monte Carlo simulations. The phase diagram displays one ordered (solid) phase which is less dense than the liquid one. At fixed pressure the liquid phase response functions show the typical anomalous behavior observed in liquid water, while, in the supercooled region, a reentrant spinodal is observed.Comment: 9 pages, 1 table, 7 figure

Exactly Solvable Model of Monomer-Monomer Reactions on a Two-Dimensional Random Catalytic Substrate

We present an \textit{exactly solvable} model of a monomer-monomer $A + B \to \emptyset$ reaction on a 2D inhomogeneous, catalytic substrate and study the equilibrium properties of the two-species adsorbate. The substrate contains randomly placed catalytic bonds of mean density $q$ which connect neighboring adsorption sites. The interacting $A$ and $B$ (monomer) species undergo continuous exchanges with corresponding adjacent gaseous reservoirs. A reaction $A + B \to \emptyset$ takes place instantaneously if $A$ and $B$ particles occupy adsorption sites connected by a catalytic bond. We find that for the case of \textit{annealed} disorder in the placement of the catalytic bonds the reaction model under study can be mapped onto the general spin $S = 1$ (GS1) model. Here we concentrate on a particular case in which the model reduces to an exactly solvable Blume-Emery-Griffiths (BEG) model (T. Horiguchi, Phys. Lett. A {\bf 113}, 425 (1986); F.Y. Wu, Phys. Lett. A, {\bf 116}, 245 (1986)) and derive an exact expression for the disorder-averaged equilibrium pressure of the two-species adsorbate. We show that at equal partial vapor pressures of the $A$ and $B$ species this system exhibits a second-order phase transition which reflects a spontaneous symmetry breaking with large fluctuations and progressive coverage of the entire substrate by either one of the species.Comment: 4 pages, 2 figures, submitted to Phys. Rev. Let

A translational framework for public health research

<p><b>Background</b></p> <p>The paradigm of translational medicine that underpins frameworks such as the Cooksey report on the funding of health research does not adequately reflect the complex reality of the public health environment. We therefore outline a translational framework for public health research.</p> <p><b>Discussion</b></p> <p>Our framework redefines the objective of translation from that of institutionalising effective interventions to that of improving population health by influencing both individual and collective determinants of health. It incorporates epidemiological perspectives with those of the social sciences, recognising that many types of research may contribute to the shaping of policy, practice and future research. It also identifies a pivotal role for evidence synthesis and the importance of non-linear and intersectoral interfaces with the public realm.</p> <p><b>Summary</b></p> <p>We propose a research agenda to advance the field and argue that resources for 'applied' or 'translational' public health research should be deployed across the framework, not reserved for 'dissemination' or 'implementation'.</p&gt

Density of states determined from Monte Carlo simulations

We describe method for calculating the density of states by combining several canonical monte carlo runs. We discuss how critical properties reveal themselves in $g(\epsilon)$ and demonstrate this by applying the method several different phase transitions. We also demonstrate how this can used to calculate the conformal charge, where the dominating numerical method has traditionally been transfer matrix.Comment: Major revision of paper, several references added throughout. Current version accepted for publication in Phys. Rev.

A discrete model of water with two distinct glassy phases

We investigate a minimal model for non-crystalline water, defined on a Husimi lattice. The peculiar random-regular nature of the lattice is meant to account for the formation of a random 4-coordinated hydrogen-bond network. The model turns out to be consistent with most thermodynamic anomalies observed in liquid and supercooled-liquid water. Furthermore, the model exhibits two glassy phases with different densities, which can coexist at a first-order transition. The onset of a complex free-energy landscape, characterized by an exponentially large number of metastable minima, is pointed out by the cavity method, at the level of 1-step replica symmetry breaking.Comment: expanded version: 6 pages, 7 figure

Monte Carlo Study of an Extended 3-State Potts Model on the Triangular Lattice

By introducing a chiral term into the Hamiltonian of the 3-state Potts model on a triangular lattice additional symmetries are achieved between the clockwise and anticlockwise states and the ferromagnetic state. This model is investigated using Monte Carlo methods. We investigate the full phase diagram and find evidence for a line tricritical points separating the ferromagnetic and antiferromagnetic phases.Comment: 6 pages, 10 figure