Investigating transition state resonances in the time domain by means of Bohmian mechanics: The F+HD reaction

In this work, we investigate the existence of transition state resonances on atom-diatom reactive collisions from a time-dependent perspective, stressing the role of quantum trajectories as a tool to analyze this phenomenon. As it is shown, when one focusses on the quantum probability current density, new dynamical information about the reactive process can be extracted. In order to detect the effects of the different rotational populations and their dynamics/coherences, we have considered a reduced two-dimensional dynamics obtained from the evolution of a full three-dimensional quantum time-dependent wave packet associated with a particular angle. This reduction procedure provides us with information about the entanglement between the radial degrees of freedom (r,R) and the angular one (\gamma), which can be considered as describing an environment. The combined approach here proposed has been applied to study the F+HD reaction, for which the FH+D product channel exhibits a resonance-mediated dynamics.Comment: 12 pages, 9 figure

Quantum Zeno-based control mechanism for molecular fragmentation

A quantum control mechanism is proposed for molecular fragmentation processes within a scenario grounded on the quantum Zeno effect. In particular, we focus on the van der Waals Ne-Br$_2$ complex, which displays two competing dissociation channels via vibrational and electronic predissociation. Accordingly, realistic three dimensional wave packet simulations are carried out by using ab initio interaction potentials recently obtained to reproduce available experimental data. Two numerical models to simulate the repeated measurements are reported and analyzed. It is found that the otherwise fast vibrational predissociation is slowed down in favor of the slow electronic (double fragmentation) predissociation, which is enhanced by several orders of magnitude. Based on these theoretical predictions, some hints to experimentalists to confirm their validity are also proposed.Comment: 4 pages, 3 figure

Interaction of oxygen with TiN (001): N↔O exchange and oxidation process

This work presents a detailed experimental and theoretical study of the oxidation of TiN(001) using a combination of synchrotron-based photoemission and density functional theory (DFT). Experimentally, the adsorption of O2 on TiN(001) was investigated at temperatures between 250 and 450K. At the lowest temperature, there was chemisorption of oxygen (O2,gas→2Oads) without significant surface oxidation. In contrast, at 450K the amount of O2 adsorbed increased continuously, there was no evidence for an oxygen saturation coverage, a clear signal in the Ti 2p core level spectra denoted the presence of TiOx species, and desorption of both N2 and NO was detected. The DFT calculations show that the adsorption/dissociation of O2 is highly exothermic on a TiN(001) substrate and is carried out mainly by the Ti centers. A high oxygen coverage (larger than 0.5 ML) may induce some structural reconstructions of the surface. The exchange of a surface N atom by an O adatom is a highly endothermic process (ΔE=2.84eV). However, the overall oxidation of the surface layer is thermodynamically favored due to the energy released by the dissociative adsorption of O2 and the formation of N2 or NO. Both experimental and theoretical results lead to conclude that a TiN+mO2→TiOx+NO reaction is an important exit channel for nitrogen in the oxidation process.Ministerio de Educación y Ciencia de España, MEC. MAT2005-01872Junta de Andalucía. FQM-132División de Ciencias Químicas del Departamento de Energía de EE. UU. DE-AC02-98CH10086Fundación japonesa para la Ciencia de los Materiale

Effect of stellar flares on the upper atmospheres of HD 189733b and HD 209458b

Stellar flares are a frequent occurrence on young low-mass stars around which many detected exoplanets orbit. Flares are energetic, impulsive events, and their impact on exoplanetary atmospheres needs to be taken into account when interpreting transit observations. We have developed a model to describe the upper atmosphere of Extrasolar Giant Planets (EGPs) orbiting flaring stars. The model simulates thermal escape from the upper atmospheres of close-in EGPs. Ionisation by solar radiation and electron impact is included and photochemical and diffusive transport processes are simulated. This model is used to study the effect of stellar flares from the solar-like G star HD209458 and the young K star HD189733 on their respective planets. A hypothetical HD209458b-like planet orbiting the active M star AU Mic is also simulated. We find that the neutral upper atmosphere of EGPs is not significantly affected by typical flares. Therefore, stellar flares alone would not cause large enough changes in planetary mass loss to explain the variations in HD189733b transit depth seen in previous studies, although we show that it may be possible that an extreme stellar proton event could result in the required mass loss. Our simulations do however reveal an enhancement in electron number density in the ionosphere of these planets, the peak of which is located in the layer where stellar X-rays are absorbed. Electron densities are found to reach 2.2 to 3.5 times pre-flare levels and enhanced electron densities last from about 3 to 10 hours after the onset of the flare. The strength of the flare and the width of its spectral energy distribution affect the range of altitudes that see enhancements in ionisation. A large broadband continuum component in the XUV portion of the flaring spectrum in very young flare stars, such as AU Mic, results in a broad range of altitudes affected in planets orbiting this star.Comment: accepted for publication in A&

On the structure of two-point Green-functions at next-to-leading order in 1/Nc

The structure of the two-point QCD Green-functions is studied in this note in the limit of large number of colours. Their general form at next-to-leading order in 1/Nc is derived keeping the infinite resonance summation and without relying on a particular realization of the hadronic action. It is found that the contributions from chiral operators without resonance fields of order p^4 or higher are irrelevant for the computation of the correlators and, hence, they can be dropped at the beginning of the calculation. The possibility of a more general cancelation of these local terms at the level of the generating functional is discussed.Comment: 6 pages, 1 figur

Teaching Style in Physical Education and Changes of Daily Physical Activity after One Academic Year in Adolescents: GEOS Study

Increased Moderate-Vigorous physical activity (MVPA) and reduced sedentary time (ST) are key factors for a healthy lifestyle during childhood and adolescence. Studies have suggested that schools may be effective resources to promote healthy habits (Sallis, McKenzie et al. 2012). Therefore, in PE, is important to assess how teachers use strategies and provide students tools to engage in PA with the purpose of reduce the risk of sedentary behavior and contribute to promotion MVPA habits for a healthy lifestyle (Lonsdale, C. et al., 2013). Many factors may be involved in the successful PE class to promote healthy out-school behaviors, as teaching styles (TS), learning styles, learning time, motivation and so on (Mosston, M. 1966). Regarding TS, there is a lack of knowledge about influence of the teaching style (TS) in the promotion of daily MVPA. It was our aim to observe the differences of total daily PA dimensions between two groups of adolescents who were taught during a whole academic year using reproducing (RK) or producing knowledge (PK) TSs.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Renormalization group equations in resonance chiral theory

The use of the equations of motion and meson field redefinitions allows the development of a simplified resonance chiral theory lagrangian: terms including resonance fields and a large number of derivatives can be reduced into corresponding O(p2) resonance operators, containing the lowest possible number of derivatives. This is shown by means of the explicit computation of the pion vector form-factor up to next-to-leading order in 1/Nc. The study of the renormalization group equations for the corresponding couplings demonstrates the existence of an infrared fixed point in the resonance theory. The possibility of developing a perturbative 1/Nc expansion in the slow running region around the fixed point is shown here.Comment: 6 pages, 3 figures. Final version as published. References added. Extended explanations. The interrelation between the IR fixed point and the UV constraints has been further studie

Quantum Zeno effect: Quantum shuffling and Markovianity

The behavior displayed by a quantum system when it is perturbed by a series of von Neumann measurements along time is analyzed. Because of the similarity between this general process with giving a deck of playing cards a shuffle, here it is referred to as quantum shuffling, showing that the quantum Zeno and anti-Zeno effects emerge naturally as two time limits. Within this framework, a connection between the gradual transition from anti-Zeno to Zeno behavior and the appearance of an underlying Markovian dynamics is found. Accordingly, although a priori it might result counterintuitive, the quantum Zeno effect corresponds to a dynamical regime where any trace of knowledge on how the unperturbed system should evolve initially is wiped out (very rapid shuffling). This would explain why the system apparently does not evolve or decay for a relatively long time, although it eventually undergoes an exponential decay. By means of a simple working model, conditions characterizing the shuffling dynamics have been determined, which can be of help to understand and to devise quantum control mechanisms in a number of processes from the atomic, molecular and optical physics.Comment: 12 pages, 2 figure

Relación entre estado de conocimiento en fracciones y problemas descriptivos de fracciones

Este trabajo forma parte de un estudio que pretende examinar la relación entre las habilidades en fracciones de los escolares y su desempeño en la resolución de los problemas descriptivos de fracciones. Para ello se realiza un análisis descriptivo e inferencial de los datos obtenidos en una muestra de 85 estudiantes de 2º de Grado en Magisterio de la U. de Valencia a los que se les ha aplicado un test inicial de conocimiento genérico de las habilidades con fracciones y se les ha planteado un tipo específico de problemas descriptivos de fracciones, el de fracciones encadenadas por el complemento aritmético