Cluster density functional theory for lattice models based on the theory of Mobius functions

Rosenfeld's fundamental measure theory for lattice models is given a rigorous formulation in terms of the theory of Mobius functions of partially ordered sets. The free-energy density functional is expressed as an expansion in a finite set of lattice clusters. This set is endowed a partial order, so that the coefficients of the cluster expansion are connected to its Mobius function. Because of this, it is rigorously proven that a unique such expansion exists for any lattice model. The low-density analysis of the free-energy functional motivates a redefinition of the basic clusters (zero-dimensional cavities) which guarantees a correct zero-density limit of the pair and triplet direct correlation functions. This new definition extends Rosenfeld's theory to lattice model with any kind of short-range interaction (repulsive or attractive, hard or soft, one- or multi-component...). Finally, a proof is given that these functionals have a consistent dimensional reduction, i.e. the functional for dimension d' can be obtained from that for dimension d (d'<d) if the latter is evaluated at a density profile confined to a d'-dimensional subset.Comment: 21 pages, 2 figures, uses iopart.cls, as well as diagrams.sty (included

Effectiveness of slow motion video compared to real time video in improving the accuracy and consistency of subjective gait analysis in dogs

Objective measures of canine gait quality via force plates, pressure mats or kinematic analysis are considered superior to subjective gait assessment (SGA). Despite research demonstrating that SGA does not accurately detect subtle lameness, it remains the most commonly performed diagnostic test for detecting lameness in dogs. This is largely because the financial, temporal and spatial requirements for existing objective gait analysis equipment makes this technology impractical for use in general practice. The utility of slow motion video as a potential tool to augment SGA is currently untested. To evaluate a more accessible way to overcome the limitations of SGA, a slow motion video study was undertaken. Three experienced veterinarians reviewed video footage of 30 dogs, 15 with a diagnosis of primary limb lameness based on history and physical examination, and 15 with no indication of limb lameness based on history and physical examination. Four different videos were made for each dog, demonstrating each dog walking and trotting in real time, and then again walking and trotting in 50% slow motion. For each video, the veterinary raters assessed both the degree of lameness, and which limb(s) they felt represented the source of the lameness. Spearman’s rho, Cramer’s V, and t-tests were performed to determine if slow motion video increased either the accuracy or consistency of raters’ SGA relative to real time video. Raters demonstrated no significant increase in consistency or accuracy in their SGA of slow motion video relative to real time video. Based on these findings, slow motion video does not increase the consistency or accuracy of SGA values. Further research is required to determine if slow motion video will benefit SGA in other ways

Experimental and predicted vapour-liquid equilibrium of the binary mixtures n-heptane + chlorobutane isomers

The study of the isothermal vapour-liquid equilibrium (VLE) of the binary mixtures n-heptane plus chlorobutane isomers (1-chlorobutane, 2-chlorobutane, 1-chloro-2-methylpropane or 2-chloro-2-methylpropane) at three different temperatures, T = 288.15, 298.15 and 308.15 K, is presented in this contribution. The experimental results were correlated using Wilson equation and the thermodynamic consistency of the data was checked by the van Ness method. Furthermore, two different methods have been used to predict the phase equilibrium in isothermal conditions: a pure group contribution method (modified-UNIFAC) and a group contribution equation of state (VTPR)

Thermophysical study of the binary mixtures of N, N-dimethylacetamide with 1-propanol and 1-butanol

Several thermophysical properties such as densities, p, speeds of sound, u, refractive indices, nD, and kinematic viscosities, v, have been measured for the binary mixtures of N, N-Dimethylacetamide with 1-propanol and 1-butanol over the entire range of composition, at the temperatures (283.15, 298.15 and 313.15) K and at atmospheric pressure p = 0.1 MPa. From these experimental data, excess molar volumes, VE, excess isentropic compressibilities, ?S E , refractive index deviations, ?nD, and viscosity deviations, ??, were calculated. Then, correlated with the Redlich-Kister equation and the corresponding parameters were drived. The results obtained, were discussed in terms of structural effects and specific molecular interactions, and the influence of the alkanol chain length was also considered

Lattice density-functional theory of surface melting: the effect of a square-gradient correction

I use the method of classical density-functional theory in the weighted-density approximation of Tarazona to investigate the phase diagram and the interface structure of a two-dimensional lattice-gas model with three phases -- vapour, liquid, and triangular solid. While a straightforward mean-field treatment of the interparticle attraction is unable to give a stable liquid phase, the correct phase diagram is obtained when including a suitably chosen square-gradient term in the system grand potential. Taken this theory for granted, I further examine the structure of the solid-vapour interface as the triple point is approached from low temperature. Surprisingly, a novel phase (rather than the liquid) is found to grow at the interface, exhibiting an unusually long modulation along the interface normal. The conventional surface-melting behaviour is recovered only by artificially restricting the symmetries being available to the density field.Comment: 16 pages, 6 figure

Density functional theory for nearest-neighbor exclusion lattice gasses in two and three dimensions

To speak about fundamental measure theory obliges to mention dimensional crossover. This feature, inherent to the systems themselves, was incorporated in the theory almost from the beginning. Although at first it was thought to be a consistency check for the theory, it rapidly became its fundamental pillar, thus becoming the only density functional theory which possesses such a property. It is straightforward that dimensional crossover connects, for instance, the parallel hard cube system (three-dimensional) with that of squares (two-dimensional) and rods (one-dimensional). We show here that there are many more connections which can be established in this way. Through them we deduce from the functional for parallel hard (hyper)cubes in the simple (hyper)cubic lattice the corresponding functionals for the nearest-neighbor exclusion lattice gases in the square, triangular, simple cubic, face-centered cubic, and body-centered cubic lattices. As an application, the bulk phase diagram for all these systems is obtained.Comment: 13 pages, 13 figures; needs revtex

Fundamental measure theory for lattice fluids with hard core interactions

We present the extension of Rosenfeld's fundamental measure theory to lattice models by constructing a density functional for d-dimensional mixtures of parallel hard hypercubes on a simple hypercubic lattice. The one-dimensional case is exactly solvable and two cases must be distinguished: all the species with the same lebgth parity (additive mixture), and arbitrary length parity (nonadditive mixture). At the best of our knowledge, this is the first time that the latter case is considered. Based on the one-dimensional exact functional form, we propose the extension to higher dimensions by generalizing the zero-dimensional cavities method to lattice models. This assures the functional to have correct dimensional crossovers to any lower dimension, including the exact zero-dimensional limit. Some applications of the functional to particular systems are also shown.Comment: 22 pages, 7 figures, needs IOPP LaTeX styles file

Acosadores, violadores y maltratadores: los otros terroristas; sus construcciones literarias.

Este artículo pretende dar respuestas, a través de ejemplos literarios, a la pregunta clave de por qué los poderes fácticos y la opinión pública reaccionan de manera tan tibia al acoso y maltrato ejercido por demasiados hombres sobre las mujeres. La razón básica es que la dependencia femenina sigue vigente en el imaginario colectivo universal y el discurso dominante se resiste a revisarla por miedo a los cambios sociales y económicos que tal revolución supondría. Es más útil contar los femicidios por miles que admitir razones lógicas incontrovertibles ¿ ya Goya lo dejó inscrito artísticamente: ¿El sueño de la razón produce monstruos¿. A estos monstruos, que nos rodean con apariencia `normal¿, hemos de darles la denominación que se merecen y juzgarles por la Ley Antiterrorista. La literatura, de todas las nacionalidades y de todas las lenguas, deja amplia constancia de tales abusos a través del tiempo y del espacio. Aquí se analizan varios ejemplos en obras de Ruth Rendell, Louise Doughty, Judith Hermann, Nawal al-Saadawi, Roddy Doyle, Mohsin Hamid, Suniti Namjoshi y Margaret Drabble.The aim of this article is to provide literary examples that will throw some light into a perplexing fact: it is difficult to understand why the political powers and society at large avert their gaze from the battering, violating and murdering of women. The main reason could be that female dependency is inscribed in the collective unconscious throughout the world, and that the dominant discourse prevents any change, fearful of the consequences that such a revolution would mean both to the social order and to the economy. It is easier to count female victims by the thousands than awake to incontrovertible and logical reasons ¿ Goya inscribed this situation in one of his Caprices: ¿The sleep of Reason produces monsters¿. My contention is that these monsters, that walk the streets alongside us, should be named properly as terrorists and be judged as such. Literature is constantly denouncing their deeds, through the globe and in all languages. In this article we analyse but a few examples by Ruth Rendell, Louise Doughty, Judith Hermann, Nawal al-Saadawi, Roddy Doyle, Mohsin Hamid, Suniti Namjoshi and Margaret Drabble.Universidad Pablo de Olavid

Rosenfeld functional for non-additive hard spheres

The fundamental measure density functional theory for hard spheres is generalized to binary mixtures of arbitrary positive and moderate negative non-additivity between unlike components. In bulk the theory predicts fluid-fluid phase separation into phases with different chemical compositions. The location of the accompanying critical point agrees well with previous results from simulations over a broad range of non-additivities and both for symmetric and highly asymmetric size ratios. Results for partial pair correlation functions show good agreement with simulation data.Comment: 8 pages with 4 figure