Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model

A polarizable quantum mechanics and molecular mechanics model has been extended to account for the difference between the macroscopic electric field and the actual electric field felt by the solute molecule. This enables the calculation of effective microscopic properties which can be related to macroscopic susceptibilities directly comparable with experimental results. By seperating the discrete local field into two distinct contribution we define two different microscopic properties, the so-called solute and effective properties. The solute properties account for the pure solvent effects, i.e., effects even when the macroscopic electric field is zero, and the effective properties account for both the pure solvent effects and the effect from the induced dipoles in the solvent due to the macroscopic electric field. We present results for the linear and nonlinear polarizabilities of water and acetonitrile both in the gas phase and in the liquid phase. For all the properties we find that the pure solvent effect increases the properties whereas the induced electric field decreases the properties. Furthermore, we present results for the refractive index, third-harmonic generation (THG), and electric field induced second-harmonic generation (EFISH) for liquid water and acetonitrile. We find in general good agreement between the calculated and experimental results for the refractive index and the THG susceptibility. For the EFISH susceptibility, however, the difference between experiment and theory is larger since the orientational effect arising from the static electric field is not accurately described

Forced oscillation assessment of respiratory mechanics in ventilated patients

The forced oscillation technique (FOT) is a method for non-invasively assessing respiratory mechanics that is applicable both in paralysed and non-paralysed patients. As the FOT requires a minimal modification of the conventional ventilation setting and does not interfere with the ventilation protocol, the technique is potentially useful to monitor patient mechanics during invasive and noninvasive ventilation. FOT allows the assessment of the respiratory system linearity by measuring resistance and reactance at different lung volumes or end-expiratory pressures. Moreover, FOT allows the physician to track the changes in patient mechanics along the ventilation cycle. Applying FOT at different frequencies may allow the physician to interpret patient mechanics in terms of models with pathophysiological interest. The current methodological and technical experience make possible the implementation of portable and compact computerised FOT systems specifically addressed to its application in the mechanical ventilation setting.

Statistical mechanics in the extended Gaussian ensemble

The extended Gaussian ensemble (EGE) is introduced as a generalization of the canonical ensemble. This ensemble is a further extension of the Gaussian ensemble introduced by Hetherington [J. Low Temp. Phys. 66, 145 (1987)]. The statistical mechanical formalism is derived both from the analysis of the system attached to a finite reservoir and from the maximum statistical entropy principle. The probability of each microstate depends on two parameters ß and ¿ which allow one to fix, independently, the mean energy of the system and the energy fluctuations, respectively. We establish the Legendre transform structure for the generalized thermodynamic potential and propose a stability criterion. We also compare the EGE probability distribution with the q-exponential distribution. As an example, an application to a system with few independent spins is presented.

Interaccion among systems of finite size in predictive relativistic mechanics I. General framework

We derive a Hamiltonian formulation for the three-dimensional formalism of predictive relativistic mechanics. This Hamiltonian structure is used to derive a set of dynamical equations describing the interaction among systems in perturbation theory.

Interaccion among systems of finite size in predictive relativistic mechanics -II. Electromagnetic and gravitational interactions

We explicitly construct a closed system of differential equations describing the electromagnetic and gravitational interactions among bodies to first order in the coupling constants, retaining terms up to order c-2. The Breit and Barker and O'Connell Hamiltonians are recovered by means of a coordinate transformation. The method used throws light on the meaning of these coordinates.

Interactions among systems of finite size en predictive relativistic mechanics III. Short-range interaction and second-order terms

We compute up to and including all the c-2 terms in the dynamical equations for extended bodies interacting through electromagnetic, gravitational, or short-range fields. We show that these equations can be reduced to those of point particles with intrinsic angular momentum assuming spherical symmetry.

General Interaction Picture from Action Principle for Mechanics

In this paper we consider a general action principle for mechanics written by means of the elements of a Lie algebra. We study the physical reasons why we have to choose precisely a Lie algebra to write the action principle. By means of such an action principle we work out the equations of motion and a technique to evaluate perturbations in a general mechanics that is equivalent to a general interaction picture. Classical or quantum mechanics come out as particular cases when we make realizations of the Lie algebra by derivations into the algebra of products of functions or operators, respectively. Later on we develop in particular the applications of the action principle to classical and quantum mechanics, seeing that in this last case it agrees with Schwinger's action principle. The main contribution of this paper is to introduce a perturbation theory and an interaction picture of classical mechanics on the same footing as in quantum mechanics.

Reconstructing snow avalanches in the Southeastern Pyrenees

A regional study of snow avalanche processes was undertaken in the SE Pyrenees. Dendrogeomorphology was used to date and reconstruct large-scale snow avalanche events that occurred in the last four decades. Dendrochronological analyses yielded the dates of nine winters when avalanches occurred in the recent past in six studied avalanche paths. Some of these avalanches were already known, but others had not been documented. In one case, the existing avalanche path map was improved with the dendrogeomorphological information of a larger past event. As a result of the dendrogeomorphological analyses, evidence for three regional-scale major avalanche years was identified in the SE Pyrenees from 1971 to 2004: 1971¿1972, 1995¿1996 and 2002¿2003. The specific synoptic atmospheric situations and the most likely nivometeorological and snowpack conditions that released these major avalanches were determined using weather data for the seasons of major avalanche releases. In 1971¿1972 the snow avalanche episode was characterized by a deep trough crossing the Pyrenees. In 1995¿1996 a variety of meteorological situations produced several episodes of major avalanches. In 2002¿2003 the more significant of two episodes was attributed to a north advection pumping an arctic air mass over the Pyrenees. The 1995¿1996 avalanche season proved to be the most notable in the four past decades in the Pyrenees.

On the complementariness of infrasound and seismic sensors for monitoring snow avalanches

The paper analyses and compares infrasonic and seismic data from snow avalanches monitored at the Vallée de la Sionne test site in Switzerland from 2009 to 2010. Using a combination of seismic and infrasound sensors, it is possible not only to detect a snow avalanche but also to distinguish between the different flow regimes and to analyse duration, average speed (for sections of the avalanche path) and avalanche size. Different sensitiveness of the seismic and infrasound sensors to the avalanche regimes is shown. Furthermore, the high amplitudes observed in the infrasound signal for one avalanche were modelled assuming that the suspension layer of the avalanche acts as a moving turbulent sound source. Our results show reproducibility for similar avalanches on the same avalanche path.

Statistical mechanics of multi-edge networks

Statistical properties of binary complex networks are well understood and recently many attempts have been made to extend this knowledge to weighted ones. There are, however, subtle yet important considerations to be made regarding the nature of the weights used in this generalization. Weights can be either continuous or discrete magnitudes, and in the latter case, they can additionally have undistinguishable or distinguishable nature. This fact has not been addressed in the literature insofar and has deep implications on the network statistics. In this work we face this problem introducing multiedge networks as graphs where multiple (distinguishable) connections between nodes are considered. We develop a statistical mechanics framework where it is possible to get information about the most relevant observables given a large spectrum of linear and nonlinear constraints including those depending both on the number of multiedges per link and their binary projection. The latter case is particularly interesting as we show that binary projections can be understood from multiedge processes. The implications of these results are important as many real-agent-based problems mapped onto graphs require this treatment for a proper characterization of their collective behavior.

The snow storm of the 8th of March 2010 in Barcelona: a paradigmatic case

A heavy precipitation event swept over Catalonia (NE Spain) on 8 March 2010, with a total amount that ex- ceeded 100mm locally and snowfall of more than 60cm near the coast. Unusual for this region and at this time of the year, this snowfall event affected mainly the coastal region and was accompanied by thunderstorms and strong wind gusts in some areas. Most of the damage was due to"wet snow", a kind of snow that favours accretion on power lines and causes line-breaking and subsequent interruption of the electricity supply. This paper conducts an interdisciplinary analysis of the event to show its great societal impact and the role played by the recently developed social networks (it has been called the first"Snowfall 2.0"), as well to analyse the meteorologi- cal factors associated with the major damage, and to propose an indicator that could summarise them. With this aim, the paper introduces the event and its societal impact and com- pares it with other important snowfalls that have affected the Catalan coast, using the PRESSGAMA database. The sec- ond part of the paper shows the event"s main meteorological features and analyses the near-surface atmospheric variables responsible for the major damage through the application of the SAFRAN (Système d"analyse fournissant des renseigne- ments atmosphériques à la neige) mesoscale analysis, which, together with the proposed"wind, wet-snow index" (WWSI), allows to estimate the severity of the event. This snow storm provides further evidence of our vulnerability to natural haz- ards and highlights the importance of a multidisciplinary ap- proach in analysing societal impact and the meteorological factors responsible for this kind of event.

Statistical mechanics of multi-edge networks

Statistical properties of binary complex networks are well understood and recently many attempts have been made to extend this knowledge to weighted ones. There are, however, subtle yet important considerations to be made regarding the nature of the weights used in this generalization. Weights can be either continuous or discrete magnitudes, and in the latter case, they can additionally have undistinguishable or distinguishable nature. This fact has not been addressed in the literature insofar and has deep implications on the network statistics. In this work we face this problem introducing multiedge networks as graphs where multiple (distinguishable) connections between nodes are considered. We develop a statistical mechanics framework where it is possible to get information about the most relevant observables given a large spectrum of linear and nonlinear constraints including those depending both on the number of multiedges per link and their binary projection. The latter case is particularly interesting as we show that binary projections can be understood from multiedge processes. The implications of these results are important as many real-agent-based problems mapped onto graphs require this treatment for a proper characterization of their collective behavior.

Evaluation of a snow avalanche possibly triggered by a local earthquake at Vallée de la Sionne, Switzerland

Snow avalanches are moving sources of infrasonic and seismic energy. They can be triggered by many different mechanisms that include the shaking produced by earthquakes. The forces induced by an earthquake can cause an increase in the load down the slope and can also decrease the shear strength and both effects can cause the release of an avalanche. This phenomenon represents an important hazard associated with earthquakes in snow-covered mountain areas with high seismicity.