Revisiting waterlike network-forming lattice models

In a previous paper [J. Chem. Phys. 129, 024506 (2008)] we studied a 3 dimensional lattice model of a network-forming fluid, recently proposed in order to investigate water anomalies. Our semi-analytical calculation, based on a cluster-variation technique, turned out to reproduce almost quantitatively several Monte Carlo results and allowed us to clarify the structure of the phase diagram, including different kinds of orientationally ordered phases. Here, we extend the calculation to different parameter values and to other similar models, known in the literature. We observe that analogous ordered phases occur in all these models. Moreover, we show that certain "waterlike" thermodynamic anomalies, claimed by previous studies, are indeed artifacts of a homogeneity assumption made in the analytical treatment. We argue that such a difficulty is common to a whole class of lattice models for water, and suggest a possible way to overcome the problem.Comment: 13 pages, 12 figure

Cluster-variation approximation for a network-forming lattice-fluid model

We consider a 3-dimensional lattice model of a network-forming fluid, which has been recently investigated by Girardi and coworkers by means of Monte Carlo simulations [J. Chem. Phys. \textbf{126}, 064503 (2007)], with the aim of describing water anomalies. We develop an approximate semi-analytical calculation, based on a cluster-variation technique, which turns out to reproduce almost quantitatively different thermodynamic properties and phase transitions determined by the Monte Carlo method. Nevertheless, our calculation points out the existence of two different phases characterized by long-range orientational order, and of critical transitions between them and to a high-temperature orientationally-disordered phase. Also, the existence of such critical lines allows us to explain certain ``kinks'' in the isotherms and isobars determined by the Monte Carlo analysis. The picture of the phase diagram becomes much more complex and richer, though unfortunately less suitable to describe real water.Comment: 10 pages, 9 figures, submitted to J. Chem. Phy

Hydration of an apolar solute in a two-dimensional waterlike lattice fluid

In a previous work, we investigated a two-dimensional lattice-fluid model, displaying some waterlike thermodynamic anomalies. The model, defined on a triangular lattice, is now extended to aqueous solutions with apolar species. Water molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three equivalent bonding arms. Bond formation depends both on orientation and local density. The insertion of inert molecules displays typical signatures of hydrophobic hydration: large positive transfer free energy, large negative transfer entropy (at low temperature), strong temperature dependence of the transfer enthalpy and entropy, i.e., large (positive) transfer heat capacity. Model properties are derived by a generalized first order approximation on a triangle cluster.Comment: 9 pages, 5 figures, 1 table; submitted to Phys. Rev.

Rhombic Patterns: Broken Hexagonal Symmetry

Landau-Ginzburg equations derived to conserve two-dimensional spatial symmetries lead to the prediction that rhombic arrays with characteristic angles slightly differ from 60 degrees should form in many systems. Beyond the bifurcation from the uniform state to patterns, rhombic patterns are linearly stable for a band of angles near the 60 degrees angle of regular hexagons. Experiments conducted on a reaction-diffusion system involving a chlorite-iodide-malonic acid reaction yield rhombic patterns in good accord with the theory.Energy Laboratory of the University of HoustonOffice of Naval ResearchU.S. Department of Energy Office of Basic Energy SciencesRobert A. Welch FoundationCenter for Nonlinear Dynamic

Cluster Variation Approach to the Random-Anisotropy Blume-Emery-Griffiths Model

The random--anisotropy Blume--Emery--Griffiths model, which has been proposed to describe the critical behavior of $^3$He--$^4$He mixtures in a porous medium, is studied in the pair approximation of the cluster variation method extended to disordered systems. Several new features, with respect to mean field theory, are found, including a rich ground state, a nonzero percolation threshold, a reentrant coexistence curve and a miscibility gap on the high $^3$He concentration side down to zero temperature. Furthermore, nearest neighbor correlations are introduced in the random distribution of the anisotropy, which are shown to be responsible for the raising of the critical temperature with respect to the pure and uncorrelated random cases and contribute to the detachment of the coexistence curve from the $\lambda$ line.Comment: 14 pages (plain TeX) + 12 figures (PostScript, appended), Preprint POLFIS-TH.02/9

Phase transitions in a spin-1 model with plaquette interaction on the square lattice

An extension of the Blume-Emery-Griffiths model with a plaquette four-spin interaction term, on the square lattice, is investigated by means of the cluster variation method in the square approximation. The ground state of the model, for negative plaquette interaction, exhibits several new phases, including frustrated ones. At finite temperature we obtain a quite rich phase diagram with two new phases, a ferrimagnetic and a weakly ferromagnetic one, and several multicritical points

Spectral action beyond the weak-field approximation

The spectral action for a non-compact commutative spectral triple is computed covariantly in a gauge perturbation up to order 2 in full generality. In the ultraviolet regime, $p\to\infty$, the action decays as $1/p^4$ in any even dimension.Comment: 17 pages Few misprints correcte

Folding of the Triangular Lattice with Quenched Random Bending Rigidity

We study the problem of folding of the regular triangular lattice in the presence of a quenched random bending rigidity + or - K and a magnetic field h (conjugate to the local normal vectors to the triangles). The randomness in the bending energy can be understood as arising from a prior marking of the lattice with quenched creases on which folds are favored. We consider three types of quenched randomness: (1) a ``physical'' randomness where the creases arise from some prior random folding; (2) a Mattis-like randomness where creases are domain walls of some quenched spin system; (3) an Edwards-Anderson-like randomness where the bending energy is + or - K at random independently on each bond. The corresponding (K,h) phase diagrams are determined in the hexagon approximation of the cluster variation method. Depending on the type of randomness, the system shows essentially different behaviors.Comment: uses harvmac (l), epsf, 17 figs included, uuencoded, tar compresse

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

Invariant vector fields and the prolongation method for supersymmetric quantum systems

The kinematical and dynamical symmetries of equations describing the time evolution of quantum systems like the supersymmetric harmonic oscillator in one space dimension and the interaction of a non-relativistic spin one-half particle in a constant magnetic field are reviewed from the point of view of the vector field prolongation method. Generators of supersymmetries are then introduced so that we get Lie superalgebras of symmetries and supersymmetries. This approach does not require the introduction of Grassmann valued differential equations but a specific matrix realization and the concept of dynamical symmetry. The Jaynes-Cummings model and supersymmetric generalizations are then studied. We show how it is closely related to the preceding models. Lie algebras of symmetries and supersymmetries are also obtained.Comment: 37 pages, 7 table