Free energy and entropy of a dipolar liquid by computer simulations

Thermodynamic properties for a system composed of dipolar molecules are computed. Free energy is evaluated by means of the thermodynamic integration technique, and it is also estimated by using a perturbation theory approach, in which every molecule is modeled as a hard sphere within a square well, with an electric dipole at its center. The hard sphere diameter, the range and depth of the well, and the dipole moment have been calculated from properties easily obtained in molecular dynamics simulations. Connection between entropy and dynamical properties is explored in the liquid and supercooled states by using instantaneous normal mode calculations. A model is proposed in order to analyze translation and rotation contributions to entropy separately. Both contributions decrease upon cooling, and a logarithmic correlation between excess entropy associated with translation and the corresponding proportion of imaginary frequency modes is encountered. Rosenfeld scaling law between reduced diffusion and excess entropy is tested, and the origin of its failure at low temperatures is investigated.Postprint (author's final draft

Influence of hydrogen bonds and temperature on dielectric properties

Dielectric properties are evaluated by means of molecular dynamics simulations on two model systems made up of dipolar molecules. One of them mimics methanol, whereas the other differs from the former only in the ability to form hydrogen bonds. Static dielectric properties such as the permittivity and the Kirkwood factor are evaluated, and results are analyzed by considering the distribution of relative orientations between molecular dipoles. Dipole moment–time correlation functions are also evaluated. The relevance of contributions associated with autocorrelations of molecular dipoles and with cross-correlations between dipoles belonging to different molecules has been investigated. For methanol, the Debye approximation for the overall dipole moment correlation function is not valid at room temperature. The model applies when hydrogen bonds are suppressed, but it fails upon cooling the nonassociated liquid. Important differences between relaxation times associated with dipole auto- versus cross-correlations as well as their relative relevance are at the root of the Debye model breakdown.Postprint (author's final draft

Los roedores y lagomorfos del Neógeno de España

Fe de erratas: Página 440, 2ª columna, 6º párrafo, línea 12: Donde dice: “... Db y Dc.” debe decir: “Dc y Dd.”.The studies made since the middle of the last century by many authors about the Spanish micromammal faunas of many sites have given rise at present to a good knowledge of the fossil record of the Spanish Neogene. The former synthesis works on Neogene mammals made by López et al. (1987) and Calvo et al. (1993), of the rodents by Sesé (1988) and of the lagomorphs by López (1989) shows the extraordinary fossil richness of the several Spanish geographical areas and basins (Ebro, Tajo, Calatayud-Teruel, Duero, Vallés-Penedés, Levante, Béticas). In the present work it is made a review and update synthesis on the Spanish Neogene (Miocene and Pliocene) rodents (order Rodentia) and lagomorphs (order Lagomorpha), mainly of the peninsula where there are more findings, but also of some findings made in the islands. They have been analysed, mainly from the systematical and biostratigraphical point of view, the faunas of the Neogene sites that have characteristical taxa of their asigned age. The order of the presentation of the analysis is, at a first level, by the stages or mammal ages, giving their most important characteristics, and, at a second level, analysing the most characteristical features of the faunas of each biozone that belong to each stage. These stages are: in the Miocene, the Early Lower Miocene, Ramblian, Aragonian, Vallesian and Turolian, and, in the Pliocene, the Ruscinian (Alfambrian) and Villanian. Regarding the zones, for the Miocene we follow the local biozonation more used in Spain that comprises the zones named from X to Y and from A to M, correlating them with the MN zones of the Mediterranean Neogene biozonation (Mein, 1975) that is the most used in Europe; and in the Pliocene, we used the MN 14 to MN 17 zones. They have been summarized the dates made in many sites, zones and stages, mainly since the last decade. It is pointed out the biogeographical differentiation between the Ibero-Central and the Ibero-Levant provinces during the most part of the Miocene, and their homogeinity at the end of the Miocene and during the Pliocene with the southern France in the so called Ibero-Occitanian province. It has been also indicated the main paleoenvironmental changes inferred from the micromammal faunal changes, mainly those that have been related with global changes.Los estudios realizados desde mediados del siglo pasado en España por muchos autores sobre las faunas de micromamíferos, han dado lugar a que actualmente haya un buen conocimiento del registro fósil del Neógeno español. Trabajos de síntesis anteriores a éste, como los de mamíferos del Neógeno realizados por López et al. (1987) y Calvo et al. (1993), el de roedores por Sesé (1988) y el de lagomorfos por López (1989), muestran la extraordinaria riqueza fosilífera de las diversas áreas geográficas y cuencas españolas (Ebro, Tajo, Calatayud-Teruel, Duero, Vallés Penedés, Levante, Béticas). En el presente trabajo se realiza una síntesis de revisión y actualización del registro fósil de roedores (orden Rodentia) y lagomorfos (orden Lagomorpha) del Neógeno (Mioceno y Plioceno) en España, principalmente de la península que es donde se han realizado más hallazgos, pero también de algunos realizados en las islas. Se han analizado, desde los puntos de vista sistemático y biostratigráfico principalmente, las faunas de los yacimientos neógenos que presentan taxones característicos de la edad que se les asigna. El orden de presentación de este análisis es, en un primer nivel, por pisos o edades de mamíferos, dando las características más importantes de los mismos, y, en un segundo nivel, analizando los aspectos más característicos de las faunas de las biozonas que comprende cada uno. Los pisos a que nos referimos son: en el Mioceno, la base del Mioceno Inferior, Rambliense, Aragoniense, Vallesiense y Turoliense, y, en el Plioceno, el Rusciniense (Alfambriense) y Villaniense. En cuanto a las zonas, para el Mioceno seguimos la biozonación local más utilizada en España que comprende las zonas denominadas de la X a la Y y de la A a la M, correlacionándolas con las zonas de la biozonación del Neógeno Mediterráneo (zonas MN) de Mein (1975), que es la más generalizada para toda Europa, y para el Plioceno las zonas MN 14 a MN 17. Se recogen las dataciones realizadas, especialmente desde la última década, de numerosos yacimientos, zonas y pisos. Se señala la diferenciación biogeográfica que hay durante la mayor parte del Mioceno entre la provincia Ibero-Central y la Ibero- Levantina, y la homogeneización de ambas con el sur de Francia en la denominada provincia Ibero-Occitana al final de Mioceno que continúa durante el Plioceno. Se indican también los cambios paleoambientales más importantes inferidos a partir de los cambios faunísticos de micromamíferos, sobre todo los que se relacionan con cambios globales.Peer reviewe

Micromamíferos del yacimiento del Pleistoceno Medio de TAFESA (Madrid).

Peer reviewe

Amparo Moreno, en Qui té por de Virgina Woolf?

Crítica de la representació teatral al Teatreneu de Qui té por de Virgina Woolf? d'Edward Albee, traduïda per Jordi Arbonès, centrada en la figura d'Amparo Moreno que n'és l'actiu principal, publicada a La Vanguardia

Diario de San Sebastián: análisis de la publicidad y bibliografía selectiva de artículos

El "Diario de San Sebastián" surgió en el último cuarto del siglo XIX. Se hace un estudio monográfico del diario y se presenta una bibliografía selectiva de los artículos publicados indicando el título, autor, fecha y número del diarioThe "Diario de San Sebastián" emerged in the last quarter of the 19th century. A monographic study of the newspaper is carried out and the author introduces a selective bibliography of the published articles indicating title, author, date and issue of the newspape

Speech Driven Expressive Animations

Current state of the art lip sync facial animation systems use vision ­based performance capture methods which are highly resource consuming. These techniques lack scalability and post hoc customizability whilst simpler and more automated alternatives often lack expressiveness. We propose an extension for a deep learning based speech driven lip sync facial synthesis system that allows for expressiveness and manual tweaking in the emotion space. Our model generates expressive animations by mapping recorded speech features into facial rig parameters. Our architecture consists of a conditional Variational Autoencoder conditioned on speech, whose latent space controls the facial expression during inference and is driven by predictions from a Speech Emotion Recognition module. This approach, to the extent of our knowledge, has not been tried before in the literature. The results show that our Speech Emotion Recognition (SER) model is able to make meaningful predictions and generalize to unseen game speech utterances. Our user study shows that participants significantly prefer our model animations when compared to animations generated from random emotions and a baseline neutral emotion model

El mas turolense. Crisis de un modelo de población

Conocer y entender un modelo poblacional característico de las comarcas turolenses, y dar a conocer la realidad de la masía en el territorio turolense a partir de su evolución contemporánea, son los ejes centrales sobre los que se articula este trabajo. La singularidad del mas pasa también por conocer su devenir a lo largo del siglo XX, su grado de vigencia actual y sus retos de futuro. Para ello es necesario comprender como pasa en poco más de 50 años, de su mayor grado de expansión y ocupación, a su práctica desaparición en algunos lugares. Para entenderlo es necesario incidir en los avatares históricos y los factores socioeconómicos, que nos permiten conocer y analizar las claves de su presente y sus retos de futuro. La masía es un modelo de ordenación y gestión del territorio, que basado en los manejos y saberes tradicionales, ha sucumbido en algunos casos a la modernidad, y ha sobrevivido a la misma en otros. De cualquier modo en su realidad presente y en su pasado, encontramos las claves para entender un futuro en el que la gestión sostenible del medio debe de ser su garantía de pervivencia.Speaking of the “masías”, we do it of an integrated elements in our landscape, of these cultivation which have their origin in the Middle Ages, and they “are the sum of a secular productive culture”. Speaking of dispersed habitat is do it of a historic constant in the turolonse middle rural, from the Middle Ages to our days, where the “masías”, also called towers and “mases ”, it constitute in a landscape reality, in a model of ordination of the territory, that it is bases in the self – sufficiency. This let the management of the environment and the cultivation of all lands of the township. The “masía, as structure of temporary or permanent habitat, allow palliate the difficulty own of the big physic distances which separate the territory of cultivation and zones of grazing of the urban. These make profitable the work, that the otherwise it would see affected by the land dispersion and the character concentred of the habitat. The claim of this work is give to know its evolution and justify its current situation. The reason for their survival in some places, the reason for their disappearance or abandonment in other, and some of the keys about what can guarantee their future