Hydrodynamic fluctuations in fluids under external gradients

Temperature and velocity correlation functions in a fluid subjected to conditions creating both a temperature and a velocity gradient are computed up to second order in the gradients. Temperature and velocity fluctuations are coupled due to convection and viscous heating. When the viscosity goes to infinity one gets the temperature correlation function for a solid under a temperature gradient, which contains a long-ranged contribution, quadratic in the temperature gradient. The velocity correlation function also exhibits long-range behavior. In a particular case its equilibrium term is diagonal whereas the nonequilibrium correction contains nondiagonal terms.

Towards and ab initio description of magnetism in ionic solids

The physical contributions to the KNiF3 magnetic exchange coupling integral have been obtained from specially designed ab initio cluster model calculations. Three important mechanisms have been identified. These are the delocalization of the magnetic orbitals into the anion p band, the variational contribution of the second-order interactions, and the many-body terms hidden in the two-body operator and the Heisenberg Hamiltonian.

Harmonic oscillators driven by colored noise: crossovers, resonances and spectra

We study second-order properties of linear oscillators driven by exponentially correlated noise. We focus our attention on dynamical exponents and crossovers and also on resonance phenomena that appear when the driving noise is dichotomous. We also obtain the power spectrum and show its different behaviors according to the color of the noise.

Dimerization of polyacetylene treated as a spin-Peierls distortion of the Heisenberg Hamiltonian

Extracting a bond-length-dependent Heisenberg-like Hamiltonian from the potential-energy surfaces of the two lowest states of ethylene, it is possible to study the geometry of polyacetylene by minimization of the cohesive energy, using both variational-cluster and Rayleigh-Schrödinger perturbative expansions. The dimerization amplitude is satisfactorily reproduced. Optimizing the variational-cluster-expansion total energy with the equal-bond-length constraint, the barrier to reversal of alternation is obtained. The alternating-to-regular phase transition is treated from the Néel-state starting function and appears to be of second order.

Towards and ab initio description of magnetism in ionic solids

The physical contributions to the KNiF3 magnetic exchange coupling integral have been obtained from specially designed ab initio cluster model calculations. Three important mechanisms have been identified. These are the delocalization of the magnetic orbitals into the anion p band, the variational contribution of the second-order interactions, and the many-body terms hidden in the two-body operator and the Heisenberg Hamiltonian.

Neutral atoms in ionic lattices: Excited states of KCl:Ag(0)

The optical-absorption spectrum of a cationic Ag0 atom in a KCl crystal has been studied theoretically by means of a series of cluster models of increasing size. Excitation energies have been determined by means of a multiconfigurational self-consistent field procedure followed by a second-order perturbation correlation treatment. Moreover results obtained within the density-functional framework are also reported. The calculations confirm the assignment of bands I and IV to transitions of the Ag-5s electron into delocalized states with mainly K-4s,4p character. Bands II and III have been assigned to internal transitions on the Ag atom, which correspond to the atomic Ag-4d to Ag-5s transition. We also determine the lowest charge transfer (CT) excitation energy and confirm the assignment of band VI to such a transition. The study of the variation of the CT excitation energy with the Ag-Cl distance R gives additional support to a large displacement of the Cl ions due to the presence of the Ag0 impurity. Moreover, from the present results, it is predicted that on passing to NaCl:Ag0 the CT onset would be out of the optical range while the 5s-5p transition would undergo a redshift of 0.3 eV. These conclusions, which underline the different character of involved orbitals, are consistent with experimental findings. The existence of a CT transition in the optical range for an atom inside an ionic host is explained by a simple model, which also accounts for the differences with the more common 3d systems. The present study sheds also some light on the R dependence of the s2-sp transitions due to s2 ions like Tl+.

Ground- and excited-state properties of M-center oxygen vacancy aggregates in the bulk and the surface of MgO

Aggregates of oxygen vacancies (F centers) represent a particular form of point defects in ionic crystals. In this study we have considered the combination of two oxygen vacancies, the M center, in the bulk and on the surface of MgO by means of cluster model calculations. Both neutral and charged forms of the defect M and M+ have been taken into account. The ground state of the M center is characterized by the presence of two doubly occupied impurity levels in the gap of the material; in M+ centers the highest level is singly occupied. For the ground-state properties we used a gradient corrected density functional theory approach. The dipole-allowed singlet-to-singlet and doublet-to-doublet electronic transitions have been determined by means of explicitly correlated multireference second-order perturbation theory calculations. These have been compared with optical transitions determined with the time-dependent density functional theory formalism. The results show that bulk M and M+ centers give rise to intense absorptions at about 4.4 and 4.0 eV, respectively. Another less intense transition at 1.3 eV has also been found for the M+ center. On the surface the transitions occur at 1.6 eV (M+) and 2 eV (M). The results are compared with recently reported electron energy loss spectroscopy spectra on MgO thin films.

Susceptibilitat genètica al càncer gàstric: caracterització de les interaccions de segon ordre entre gens i variants identificades en l’estudi EPIC‐EURGAST

En aquest Treball de Final de Grau s’exposen els resultats de l’anàlisi de les dades genètiques del projecte EurGast2 "Genetic susceptibility, environmental exposure and gastric cancer risk in an European population”, estudi cas‐control niat a la cohort europea EPIC “European Prospective lnvestigation into Cancer and Nutrition”, que té per objectiu l’estudi dels factors genètics i ambientals associats amb el risc de desenvolupar càncer gàstric (CG). A partir de les dades resultants de l’estudi EurGast2, en el què es van analitzar 1.294 SNPs en 365 casos de càncer gàstric i 1.284 controls en l’anàlisi Single SNP previ, la hipòtesi de partida del present Treball de Final de Grau és que algunes variants amb un efecte marginal molt feble, però que conjuntament amb altres variants estarien associades al risc de CG, podrien no haver‐se detectat. Així doncs, l’objectiu principal del projecte és la identificació d’interaccions de segon ordre entre variants genètiques de gens candidats implicades en la carcinogènesi de càncer gàstric. L’anàlisi de les interaccions s’ha dut a terme aplicant el mètode estadístic Model‐based Multifactor Dimensionality Reduction Method (MB‐MDR), desenvolupat per Calle et al. l’any 2008 i s’han aplicat dues metodologies de filtratge per seleccionar les interaccions que s’exploraran: 1) filtratge d’interaccions amb un SNP significatiu en el Single SNP analysis i 2) filtratge d’interaccions segons la mesura Sinèrgia. Els resultats del projecte han identificat 5 interaccions de segon ordre entre SNPs associades significativament amb un major risc de desenvolupar càncer gàstric, amb p‐valor inferior a 10‐4. Les interaccions identificades corresponen a interaccions entre els gens MPO i CDH1, XRCC1 i GAS6, ADH1B i NR5A2 i IL4R i IL1RN (que s’ha validat en les dues metodologies de filtratge). Excepte CDH1, cap altre d’aquests gens s’havia associat significativament amb el CG o prioritzat en les anàlisis prèvies, el que confirma l’interès d’analitzar les interaccions genètiques de segon ordre. Aquestes poden ser un punt de partida per altres anàlisis destinades a confirmar gens putatius i a estudiar a nivell biològic i molecular els mecanismes de carcinogènesi, i orientades a la recerca de noves dianes terapèutiques i mètodes de diagnosi i pronòstic més eficients.

Fronts from integrodifference equations and persistence effects on the Neolithic transition

We extend a previous model of the Neolithic transition in Europe [J. Fort and V. Méndez, Phys. Rev. Lett. 82, 867 (1999)] by taking two effects into account: (i) we do not use the diffusion approximation (which corresponds to second-order Taylor expansions), and (ii) we take proper care of the fact that parents do not migrate away from their children (we refer to this as a time-order effect, in the sense that it implies that children grow up with their parents, before they become adults and can survive and migrate). We also derive a time-ordered, second-order equation, which we call the sequential reaction-diffusion equation, and use it to show that effect (ii) is the most important one, and that both of them should in general be taken into account to derive accurate results. As an example, we consider the Neolithic transition: the model predictions agree with the observed front speed, and the corrections relative to previous models are important (up to 70%)

Impulse response recovery of linear systems through weighted cumulant slice

Identifiability of the so-called ω-slice algorithm is proven for ARMA linear systems. Although proofs were developed in the past for the simpler cases of MA and AR models, they were not extendible to general exponential linear systems. The results presented in this paper demonstrate a unique feature of the ω-slice method, which is unbiasedness and consistency when order is overdetermined, regardless of the IIR or FIR nature of the underlying system, and numerical robustness.

Perception of acceleration in motion-in-depth with only monocular and both monocular and binocular information

Observers are often required to adjust actions with objects that change their speed. However, no evidence for a direct sense of acceleration has been found so far. Instead, observers seem to detect changes in velocity within a temporal window when confronted with motion in the frontal plane (2D motion). Furthermore, recent studies suggest that motion-in-depth is detected by tracking changes of position in depth. Therefore, in order to sense acceleration in depth a kind of second-order computation would have to be carried out by the visual system. In two experiments, we show that observers misperceive acceleration of head-on approaches at least within the ranges we used [600-800 ms] resulting in an overestimation of arrival time. Regardless of the viewing condition (only monocular or monocular and binocular), the response pattern conformed to a constant velocity strategy. However, when binocular information was available, overestimation was highly reduced.

Let's share perspectives! Mentalistic skills involved in cooperation = ¿A tu Izquierda o a la Mía? Habilidades Mentalistas Implicadas en la Cooperación

Previous research has found a link between theory of mind and cooperation. The aim of this study is to deepen into this relationship, to identify which theory of mind skills are more related to the cooperative capacity on a referential communication task. A total of 50 children from first and fifth grade completed a battery of theory of mind tasks, and also a cooperative task where children worked in pairs to build block models. Each pair was composed by a builder and a guide, who gave instructions to his partner about how to build a replica of the model. The results show a significant relationship between the theory of mind skills and cooperation. Specifically, we found that the second-order false-belief task was the variable most related to cooperation after controlling the effect of age. In addition, we observed that the mentalist skills were more important for cooperation in the builders than in the guides. Finally, we discuss the findings of this study and make suggestions for the future

Replicabilidad de los factores de segundo orden del 16PF-5 en muestras americanas y españolas

El objetivo de este estudio fue replicar las estructuras de 5 y 6 factores de segundo orden del 16PF-5. Para la estructura de 5 factores se toma como referencia teórica la estructura obtenida por Russell y Karol (1995), y para la estructura de 6 factores (incluyendo un factor adicional de Razonamiento) la obtenida en muestras americanas por Cattell y Cattell (1995). Se utilizan tres procedimientos para el estudio de la replicabilidad, a) análisis factorial exploratorio, b) análisis de la estructura ortogonal Procrustes, y c) análisis de los índices de congruencia entre las tres matrices factoriales. Las matrices factoriales obtenidas en el presente estudio son similares a las informadas en los estudios de referencia, aunque la solución Procrustes se revela ligeramente más parecida. Los índices de congruencia en ge- neral son aceptables por lo que se concluye que el 16PF-5 demuestra buena replicabilidad.

Espeleotoponímia de motivació paleontològica i antracotoponímia de les Illes Balears

En aquest treball es recopilen i estudien, des d’una perspectiva etnopaleontològica, les aportacions i influencies exercides pels fòssils en relació al patrimoni onomàstic toponímic relacionat amb cavitats càrstiques de l’àmbit geogràfic de les Illes Balears. Generalment es tracta de microtopònims moderns o recents, en vies de popularització i/o tradicionalització (neotopònims), establerts pels científics que estudien les coves i/o esportistes del món de l’espeleologia (topocultismes). Es poden distingir entre espeleotopònims de primer ordre (quan es refereixen a cavitats completes) i de segon ordre (quan es refereixen a un sector d’una cavitat). També es realitza una primera aproximació als topònims referits a mines d’extracció de carbó fòssil (antracotopònims).

Phenomenological models of holographic superconductors and hall currents

We study general models of holographic superconductivity parametrized by four arbitrary functions of a neutral scalar field of the bulk theory. The models can accommodate several features of real superconductors, like arbitrary critical temperatures and critical exponents in a certain range, and perhaps impurities or boundary or thickness effects. We find analytical expressions for the critical exponents of the general model and show that they satisfy the Rushbrooke identity. An important subclass of models exhibit second order phase transitions. A study of the specific heat shows that general models can also describe holographic superconductors undergoing first, second and third (or higher) order phase transitions. We discuss how small deformations of the HHH model can lead to the appearance of resonance peaks in the conductivity, which increase in number and become narrower as the temperature is gradually decreased, without the need for tuning mass of the scalar to be close to the Breitenlohner-Freedman bound. Finally, we investigate the inclusion of a generalized ¿theta term¿ producing Hall effect without magnetic field.