Enviaments recents

  • Potentials of mean force in acidic proton transfer reactions in constrained geometries 

    Martí Rabassa, Jordi (2016-10-17)
    Article
    Accés restringit per política de l'editorial
    Free energy barriers associated with the transfer of an excess proton in water and related to the potentials of mean force in proton transfer episodes have been computed in a wide range of thermodynamic states, from ...
  • A comparative molecular dynamics study of sulfuric and methanesulfonic acids 

    Canales Gabriel, Manel; Guàrdia Manuel, Elvira (2016-12-01)
    Article
    Accés restringit per política de l'editorial
    The molecular dynamics computer simulation method has been used to study sulfuric and methanesulfonic acids. Calculations have been carried out between 200 K and 400 K using reliable force fields. Thermodynamic properties, ...
  • Elastic, dielectric and electromechanical properties of (Bi0.5Na0.5)TiO3-BaTiO3 piezoceramics at the morphotropic phase boundary region 

    Machado, Rodrigo; dos Santos, Valdeci B.; Ochoa Guerrero, Diego A.; Cerdeiras Montero, Elena; Mestres, Lourdes; García García, José Eduardo (2017-01-05)
    Article
    Accés restringit per política de l'editorial
    A systematic study of the functional properties of the (1-x)(Bi0.5Na0.5)TiO3–xBaTiO3 (BNT-xBT) piezoceramic system for 0.05 = x = 0.07 is performed. The samples are obtained through the conventional solid-state route. The ...
  • Influence of hydrogen bonds and temperature on dielectric properties 

    Ortiz de Urbina Viade, Jordi; Sesé Castel, Gemma (2016-07-06)
    Article
    Accés obert
    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 ...
  • Ultradilute low-dimensional liquids 

    Petrov, D. S.; Astrakharchik, Grigori (2016-09-01)
    Article
    Accés obert
    We calculate the energy of one- and two-dimensional weakly interacting Bose-Bose mixtures analytically in the Bogoliubov approximation and by using the diffusion Monte Carlo technique. We show that in the case of attractive ...
  • Solar energy as a form giver for future cities 

    Curreli, Alessandra; Serra Coch, Glòria; Isalgue Buxeda, Antonio; Crespo Cabillo, Isabel; Coch Roura, Helena (2016-07-14)
    Article
    Accés obert
    Energy is considered as a main influence on urban configurations. However, there is a difficulty on translating the city models based on theoretical renewable energy concepts into practical applications. This study considers ...
  • Nuclear data activities at the n_TOF facility at CERN 

    Gunsing, Frank; Aberle, O.; Andrzejewski, Józef; Calviño Tavares, Francisco; Casanovas Hoste, Adrià; Cortés Rossell, Guillem Pere; Riego-Pérez, albert; Tarifeño Saldivia, Ariel Esteban (2016-10-21)
    Article
    Accés obert
    Nuclear data in general, and neutron-induced reaction cross sections in particular, are important for a wide variety of research fields. They play a key role in the safety and criticality assessment of nuclear technology, ...
  • Be-7(n,alpha)He-4 reaction and the cosmological lithium problem: measurement of the cross section in a wide energy range at n_TOF at CERN 

    Barbagallo, Massimo; Musumarra, A.; Cosentino, L.; Calviño Tavares, Francisco; Casanovas Hoste, Adrià; Cortés Rossell, Guillem Pere; Tarifeño Saldivia, Ariel Esteban (2016-10-03)
    Article
    Accés obert
    The energy-dependent cross section of the Be7(n,alpha)He4 reaction, of interest for the so-called cosmological lithium problem in big bang nucleosynthesis, has been measured for the first time from 10 meV to 10 keV neutron ...
  • Ultrastable glasses portray similar behaviour to ordinary glasses at high pressure 

    Rodríguez-Tinoco, Cristian; Gonzalez Silveira, Marta; Barrio Casado, María del; Lloveras Muntané, Pol Marcel; Tamarit Mur, José Luis; Garden, Jean Luc; Rodríguez Viejo, Javier (Macmillan Publishers, 2016-10-03)
    Article
    Accés obert
    Pressure experiments provide a unique opportunity to unravel new insights into glass-forming liquids by exploring its effect on the dynamics of viscous liquids and on the evolution of the glass transition temperature. Here ...
  • On the consideration of scaling properties of extreme rainfall in Madrid (Spain) for developing a generalized intensity-duration-frequency equation and assessing probable maximum precipitation estimates 

    Casas Castillo, M. del Carmen; Rodríguez Solá, Raúl; Navarro Bosque, Javier; Russo, Beniamino; Lastra, Antonio; González, Paula; Redaño Xipell, Angel (2016-11-11)
    Article
    Accés restringit per política de l'editorial
    The fractal behavior of extreme rainfall intensities registered between 1940 and 2012 by the Retiro Observatory of Madrid (Spain) has been examined, and a simple scaling regime ranging from 25 min to 3 days of duration has ...

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