Enviaments recents

  • Free-energy surfaces of ionic adsorption in cholesterol-free and cholesterol-rich phospholipid membranes 

    Martí Rabassa, Jordi (2017-10-23)
    Article
    Accés restringit per política de l'editorial
    Free energy surfaces associated to the adsorption of metal cations ((Formula presented.), (Formula presented.), (Formula presented.), and (Formula presented.)) in biological environments have been computed by metadynamics ...
  • Composite boson description of a low-density gas of excitons 

    Golomedov, A. E.; Lozovik, Yu. E.; Astrakharchik, Grigori; Boronat Medico, Jordi (2017-10-13)
    Article
    Accés restringit per política de l'editorial
    Ground-state properties of a fermionic Coulomb gas are calculated using the fixed-node diffusion Monte Carlo method. The validity of the composite boson description is tested for different densities. We extract the ...
  • Grain boundary mediated plasticity: the role of grain boundary atomic structure and thermal activation 

    Terentyev, Dimitry; Bakaev, A.; Serra Tort, Ana María; Pavia, F.; Baker, K. L.; Anento Moreno, Napoleón (2018-03)
    Article
    Accés restringit per política de l'editorial
    The interaction of dislocation pile-ups with several tilt grain boundaries (GB) is studied in copper by using a hybrid continuum-atomistic approach. The effects of temperature, pile-up intensity and GB structure on absorption ...
  • Lepton flavor changing Higgs decays in the littlest Higgs model with T-parity 

    del Aguila Jiménez, Francisco; Ametller Congost, Lluís; Illana, José Ignacio; Santiago, Jose; Talavera, Pere; Vega-Morales, Roberto (2017-08-08)
    Article
    Accés obert
    We calculate loop induced lepton flavor violating Higgs decays in the Littlest Higgs model with T-parity. We find that a finite amplitude is obtained only when all contributions from the T-odd lepton sector are included. ...
  • Local structural fluctuations, hydrogen bonding and structural transitions in supercritical water 

    Skarmoutsos, Ioannis; Guàrdia Manuel, Elvira; Samios, Jannis (2017-12-01)
    Article
    Accés restringit per política de l'editorial
    The contribution of hydrogen bonding interactions to the formation of local density inhomogeneities in supercritical water at near-critical conditions has been extensively studied by means of molecular dynamics simulations. ...
  • Optical lattices as a tool to study defect-induced superfluidity 

    Astrakharchik, Grigori; Krutitsky, K.V.; Lewenstein, Maciej; Mazzanti Castrillejo, Fernando Pablo; Boronat Medico, Jordi (AMER PHYSICAL SOC, 2017-09-05)
    Article
    Accés obert
    We study the superfluid response, the energetic and structural properties of a one-dimensional ultracold Bose gas in an optical lattice of arbitrary strength. We use the Bose-Fermi mapping in the limit of infinitely large ...
  • Thermodynamic behavior of a one-dimensional Bose gas at low temperature 

    de Rosi, Giulia; Astrakharchik, Grigori; Stringari, Sandro (AMER PHYSICAL SOC, 2017-07-11)
    Article
    Accés obert
    We show that the chemical potential of a one-dimensional (1D) interacting Bose gas exhibits a nonmonotonic temperature dependence which is peculiar of superfluids. The effect is a direct consequence of the phononic nature ...
  • Simulation and understanding of atomic and molecular quantum crystals 

    Cazorla, Claudio; Boronat Medico, Jordi (2017-08-03)
    Article
    Accés obert
    Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent ...
  • Translational versus rotational energy flow in water solvation dynamics 

    Rey Oriol, Rosendo; Hynes, James T. (2017-09-01)
    Article
    Accés restringit per política de l'editorial
    Early molecular dynamics simulations discovered an important asymmetry in the speed of water solvation dynamics for charge extinction and charge creation for an immersed solute, a feature representing a first demonstration ...
  • Surface behavior of aprotic mixtures: dimethyl sulfoxide/acetonitrile 

    Rodriguez, Javier; Elola, M. Dolores; Martí Rabassa, Jordi; Laria, Daniel (2017-06-21)
    Article
    Accés restringit per política de l'editorial
    We present results from molecular dynamics simulations that examine microscopic characteristics of mixtures combining acetonitrile (ACN) and dimethyl sulfoxide (DMSO) at the vicinity of liquid/air and liquid/graphene ...

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