1,379 research outputs found

    Evaluation of configurational entropy of a model liquid from computer simulations

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    Computer simulations have been employed in recent years to evaluate the configurational entropy changes in model glass-forming liquids. We consider two methods, both of which involve the calculation of the `intra-basin' entropy as a means for obtaining the configurational entropy. The first method involves the evaluation of the intra-basin entropy from the vibrational frequencies of inherent structures, by making a harmonic approximation of the local potential energy topography. The second method employs simulations that confine the liquid within a localized region of configuration space by the imposition of constraints; apart from the choice of the constraints, no further assumptions are made. We compare the configurational entropies estimated for a model liquid (binary mixture of particles interacting {\it via} the Lennard-Jones potential) for a range of temperatures, at fixed density.Comment: 10 pages, 5 figures, Proceedings of "Unifying Concepts in Glass Physics" Trieste 1999 (to appear in J. Phys. Cond. Mat.

    Entropy and the driving force for the filling of carbon nanotubes with water

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    The spontaneous filling of hydrophobic carbon nanotubes (CNTs) by water observed both experimentally and from simulations is counterintuitive because confinement is generally expected to decrease both entropy and bonding, and remains largely unexplained. Here we report the entropy, enthalpy, and free energy extracted from molecular dynamics simulations of water confined in CNTs from 0.8 to 2.7-nm diameters. We find for all sizes that water inside the CNTs is more stable than in the bulk, but the nature of the favorable confinement of water changes dramatically with CNT diameter. Thus we find (i) an entropy (both rotational and translational) stabilized, vapor-like phase of water for small CNTs (0.8–1.0 nm), (ii) an enthalpy stabilized, ice-like phase for medium-sized CNTs (1.1–1.2 nm), and (iii) a bulk-like liquid phase for tubes larger than 1.4 nm, stabilized by the increased translational entropy as the waters sample a larger configurational space. Simulations with structureless coarse-grained water models further reveal that the observed free energies and sequence of transitions arise from the tetrahedral structure of liquid water. These results offer a broad theoretical basis for understanding water transport through CNTs and other nanostructures important in nanofluidics, nanofiltrations, and desalination

    Multiple Regression Model to Predict Length of Hospital Stay for Patients Undergoing Femur Fracture Surgery at “San Giovanni di Dio e Ruggi d’Aragona” University Hospital

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    The economic cuts suffered by public health have in many cases led to the reduction of beds. In order to optimize the available resources, the length of stay (LOS) can be used as an efficiency parameter. The objective of this study is to predict the value of LOS using the clinical information that is generally supplied by a patient who is hospitalized following a fracture of the neck of the femur and to make a comparison with results obtained after the implementation of the new diagnostic-therapeutic-assistance pathway (DTAP). The analysis was conducted on data extrapolated from the information system of the University Hospital “San Giovanni di Dio and Ruggi d’Aragona” of Salerno (Italy). The results show promising outcome in the use of the proposed prediction models as a tool for determining an estimate of the LOS and support the decision making process and the management of hospital resources in advance. In addition, the comparison of between the two models can be used as an indicator to assess the efficiency of the implemented DTAP

    Asymptotic Entanglement Dynamics and Geometry of Quantum States

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    A given dynamics for a composite quantum system can exhibit several distinct properties for the asymptotic entanglement behavior, like entanglement sudden death, asymptotic death of entanglement, sudden birth of entanglement, etc. A classification of the possible situations was given in [M. O. Terra Cunha, {\emph{New J. Phys}} {\bf{9}}, 237 (2007)] but for some classes there were no known examples. In this work we give a better classification for the possibile relaxing dynamics at the light of the geometry of their set of asymptotic states and give explicit examples for all the classes. Although the classification is completely general, in the search of examples it is sufficient to use two qubits with dynamics given by differential equations in Lindblad form (some of them non-autonomous). We also investigate, in each case, the probabilities to find each possible behavior for random initial states.Comment: 9 pages, 2 figures; revised version accepted for publication in J. Phys. A: Math. Theo

    Cross-talk between signaling pathways leading to defense against pathogens and insects

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    In nature, plants interact with a wide range of organisms, some of which are harmful (e.g. pathogens, herbivorous insects), while others are beneficial (e.g. growth-promoting rhizobacteria, mycorrhizal fungi, and predatory enemies of herbivores). During the evolutionary arms race between plants and their attackers, primary and secondary immune responses evolved to recognize common or highly specialized features of microbial pathogens (Chisholm et al., 2006), resulting in sophisticated mechanisms of defense

    Seismic Loss Estimation in Pre-1970 Residential RC Buildings: The Role of Infills and Services in Low–Mid-Rise Case Studies

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    The lessons learned after recent earthquakes have highlighted the key role played by infills and services in damage and loss of Reinforced Concrete (RC) buildings. Their influence in seismic performance and loss estimation of selected RC building case studies is thoroughly analyzed here. The case study selection aims to be representative of existing buildings built in Italy before 1970, and covers a different number of stories and design typologies. The seismic responses of the case-study buildings are numerically analyzed by means of non-linear static pushover analysis (PO) considering a lumped plasticity approach with a quadri-linear flexural response for beam/column elements (properly calibrated for RC elements reinforced with plain bars) and a tri-linear compressive-only axial response with diagonal concentric struts for infill panels (empirically derived from experimental data on hollow clay masonry walls). Economic loss estimation is carried out via a component-based methodology that relies on the main repairing activities and resultant costs required for the refurbishment of infills and services for different damage levels. Accordingly, a damage analysis is performed herein, given the intensity measure, based on a comparison between Interstory drift demand from PO analysis and drift-based fragility functions specific for masonry infills. Loss curves, relating the total building repair cost to peak ground acceleration (PGA), are presented and compared for the analyzed case study buildings to show their trends and quantify the incidence of infills and services with respect to the reconstruction cost. A comparison between these outcomes and those recently found in the literature emphasizes the robustness of the considered approach and the reliability of the hypotheses about damage and loss assessment

    Cavity losses for the dissipative Jaynes-Cummings Hamiltonian beyond Rotating Wave Approximation

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    A microscopic derivation of the master equation for the Jaynes-Cummings model with cavity losses is given, taking into account the terms in the dissipator which vary with frequencies of the order of the vacuum Rabi frequency. Our approach allows to single out physical contexts wherein the usual phenomenological dissipator turns out to be fully justified and constitutes an extension of our previous analysis [Scala M. {\em et al.} 2007 Phys. Rev. A {\bf 75}, 013811], where a microscopic derivation was given in the framework of the Rotating Wave Approximation.Comment: 12 pages, 1 figur

    Regression Models to Study the Total LOS Related to Valvuloplasty

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    Background: Valvular heart diseases are diseases that affect the valves by altering the normal circulation of blood within the heart. In recent years, the use of valvuloplasty has become recurrent due to the increase in calcific valve disease, which usually occurs in the elderly, and mitral valve regurgitation. For this reason, it is critical to be able to best manage the patient undergoing this surgery. To accomplish this, the length of stay (LOS) is used as a quality indicator. Methods: A multiple linear regression model and four other regression algorithms were used to study the total LOS function of a set of independent variables related to the clinical and demographic characteristics of patients. The study was conducted at the University Hospital “San Giovanni di Dio e Ruggi d’Aragona” of Salerno (Italy) in the years 2010–2020. Results: Overall, the MLR model proved to be the best, with an R2 value of 0.720. Among the independent variables, age, pre-operative LOS, congestive heart failure, and peripheral vascular disease were those that mainly influenced the output value. Conclusions: LOS proves, once again, to be a strategic indicator for hospital resource management, and simple linear regression models have shown excellent results to analyze it

    Robust stationary entanglement of two coupled qubits in independent environments

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    The dissipative dynamics of two interacting qubits coupled to independent reservoirs at nonzero temperatures is investigated, paying special attention to the entanglement evolution. The counter-rotating terms in the qubit-qubit interaction give rise to stationary entanglement, traceable back to the ground state structure. The robustness of this entanglement against thermal noise is thoroughly analyzed, establishing that it can be detected at reasonable experimental temperatures. Some effects linked to a possible reservoir asymmetry are brought to light.Comment: 8 pages, 6 figures; version accepted for publication on Eur. Phys. J.
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