Exploració per autor "Trullàs Simó, Joaquim"
Ara es mostren els items 18-26 de 26
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Mass and size dependence of single ion dynamics in molten monohalides
Alcaraz Sendra, Olga; Trullàs Simó, Joaquim (2000-12)
Article
Accés obertThis work is concerned with four molten monohalides with different ionic radii ratios (RbCl, NaI, AgCl, and CuCl) and ideal isotopic systems of these salts with different ionic mass ratios. The velocity autocorrelation ... -
Molecular dynamics simulation of collective motions in binary liquids
Anento Moreno, Napoleón; Padró, J. A.; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim (2003-06)
Article
Accés restringit per política de l'editorialCollective dynamic properties of different kind of binary liquid mixtures have been investigated by molecular dynamics simulation. The study includes both the longitudinal and the transverse current spectra in simple ... -
Pràctiques de Laboratori
Canales Gabriel, Manel; Trullàs Simó, Joaquim; Ametller Congost, Lluís; Llanta Salleras, Estanislao; Rey Oriol, Rosendo; Casulleras Ambrós, Joaquín; Mazzanti Castrillejo, Fernando Pablo; Boronat Medico, Jordi; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Sesé Castel, Gemma; Pastor Satorras, Romualdo (Universitat Politècnica de Catalunya, 2015)
Pràctica
Accés obert -
Space-dependent self-diffusion processes in molten copper halides: a molecular dynamics study
Alcaraz Sendra, Olga; Trullàs Simó, Joaquim (2001)
Article
Accés obertThis work is concerned with single ion dynamics in molten copper halides (CuI and CuCl) which exhibit fast ionic conduction before melting. The self-dynamic structure factor of the two ionic species in each melt have been ... -
Static structure and ionic transport in molten AgBr and AgCl
Tasseven, Çetin; Trullàs Simó, Joaquim; Alcaraz Sendra, Olga; Silbert, Moises; Giró Roca, Antoni (American Institute of Physics (AIP), 1997)
Article
Accés restringit per política de l'editorialThe static structure of molten AgBr and AgCl have been calculated using the hypernetted chain theory of liquids ~HNC! and molecular dynamics simulations ~MD! with effective potentials based on the functional form originally ... -
Structure and dynamics of molten AgCl: the inclusion of induced polarization
Trullàs Simó, Joaquim; Alcaraz Sendra, Olga; González Tesedo, Luís Enrique; Silbert, Moises (2003)
Article
Accés restringit per política de l'editorialThree sets of molecular dynamics simulations have been carried out to study the static structure and transport properties of molten AgCl at 1073 K. The first uses the Vashishta-Rahman rigid-ion potential (R-VR). The other ... -
The bridge functions of molten salts
Tasseven, Çetin; Enrique González, Luis; Silbert, Moises; Alcaraz Sendra, Olga; Trullàs Simó, Joaquim (2001-09)
Article
Accés obertThe bridge functions of molten NaCl and AgI near melting were obtained by using the model potentials of Born–Huggins–Mayer for NaCl and Vashishta–Rahman for AgI. The calculations of the bridge functions involved molecular ... -
The structure of molten AgCl revisited
Trullàs Simó, Joaquim; Alcaraz Sendra, Olga; Silbert, Moises (2002-09)
Article
Accés restringit per política de l'editorialWe have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models via molecular dynamics simulations. The model potentials consisted of either the Vashishta–Rahman (VR) or the Born–Mayer ... -
The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model
Alcaraz Sendra, Olga; Trullàs Simó, Joaquim; Tahara, Shuta; Kawakita, Yukinobu; Takeda, Shin'ichi (2016-09-07)
Article
Accés obertThe results of the structural properties of molten copper chloride are reported from high-energy X-ray diffraction measurements, reverse Monte Carlo modeling method, and molecular dynamics simulations using a polarizable ...