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Molten salts

V. Bitrián
Estudio de modelos de ión polarizables para sales fundidas mediante dinámica molecular.
PhD Thesis, Universitat Politècnica de Catalunya (2011)

 

V. Bitrián, O. Alcaraz, J. Trullàs
A polarizable ion model for the structure of molten CuI

Journal of Chemical Physics 134, 044501 (2011)

 

O. Alcaraz, V. Bitrián, J. Trullàs
The structure of molten AgCl, AgI and their eutectic mixture as studied by molecular dynamics simulations of polarizable ion model potentials
Journal of Chemical Physics 134, 014505 (2011)

 

O. Alcaraz, J. Trullàs
The longitudinal optic-like mode in molten alkali halides: A molecular dynamics approximation to inelastic x-ray scattering experiments
Journal of Chemical Physics 132, 054503 (2010)

 

V. Bitrian, O. Alcaraz , J. Trullàs
Static dielectric properties of polarizable ion models: Molecular dynamics study of molten AgI and NaI
Journal of Chemical Physics 130, 234504/1-10 (2009)

 

V. Bitrián, J. Trullàs, M. Silbert
Long-wavelength limit of the static structure factors for mixtures of two simple molten salts with a common ion and generalized Bhatia-Thornton formalism: Molecular dynamics study of molten mixture Ag(Br0.7I0.3)
Physica B 403, 4249-4258 (2008)

 

V. Bitrián, J Trullàs
Polarization effects on the dielectric properties of molten AgI
Journal of Physics: Conference Series 98, 042006 (2008)

 

V. Bitrián, J. Trullàs, Molecular
Dynamics Study of Polarization Effects on AgI
Journal of Physical Chemistry B 112, 1718-1728 (2008)

 

J. Trullàs, V. Bitrián, Y. Kawakita, S. Takeda, T. Enosaki, M. Silbert
On the structure of the molten mixture Ag(I0.3Br0.7)
Journal of Non-Crystalline Solids 353, 2993-2996 (2007)

 

O. Alcaraz, V. Bitrián, J. Trullàs
Molecular dynamics study of polarizable point dipole models for molten sodium iodide
Journal of Chemical Physics 127, 154508/1-10 (2007)

 

O. Alcaraz , J. Trullàs
Molecular dynamics study of the incoherent and coherent contributions to the total dynamic structure factor of molten NaI
Journal of Molecular Liquids 136, 227-235 (2007)

 

V. Bitrián, J. Trullàs, M. Silbert
A polarizable ion model for the structure of molten AgI
Journal of Chemical Physics 126, 021105/1-4 (2007)

 

V. Bitrián, J. Trullàs, M. Silbert, T. Enosaki, Y. Kawakita, S. Takeda
Neutron diffraction data and molecular dynamics simulations of the molten mixture Ag(Br0.7I0.3)
Journal of Chemical Physics 125, 184510/1-10 (2006)

 

V. Bitrián, J. Trullàs
Molecular Dynamics study of polarizable ion models for molten AgBr
Journal of Physical Chemistry B 110, 7490-7499 (2006)

 

J. Trullàs, O. Alcaraz, L. E. Gonzalez, M. Silbert
Structure and dynamics of molten AgCl. The inclusion of induced polarization

Journal of Physical Chemistry B 107, 282-290 (2003)

 

J. Trullàs, O. Alcaraz, M. Silbert
The structure of molten AgCl revisited
Journal of Non-Crystalline Solids 312-314C, 438-442 (2002)

 

O. Alcaraz, J. Trullàs
Space-dependent  self-diffusion processes in molten copper halides: A molecular dynamics study
Journal of Chemical Physics 115, 7071-7075 (2001)

 

Ç. Tasseven, L. E. González, M. Silbert, O. Alcaraz, J. Trullàs
The brigde functions of molten salts
Journal of Chemical Physics 115, 4676-4680 (2001)

 

O. Alcaraz, J. Trullàs
Mass and size dependence of single ion dynamics in molten monohalides
Journal of Chemical Physics 113, 10635-10641 (2000)

 

C. Tasseven , O. Alcaraz, J. Trullàs, M. Silbert
Integral equations calculations and computer simulations of the static structure and ionic transport in molten nickel halides
High Temperature Materials and Processes 17, 163-176 (1998)

C. Tasseven , O. Alcaraz, J. Trullàs, M. Silbert, A. Giró
Integral equations calculations and computer simulations of the static structure and ionic transport in molten thallium halides
Journal of Physics: Condensed Matter 9, 11061-11075 (1997)

 

C. Tasseven, J. Trullàs, O.Alcaraz, M. Silbert, A.Giró
Static structure and ionic transport in molten AgBr and AgCl
Journal of Chemical Physics 106, 7286-7294 (1997)

 

C. Tasseven, M. Silbert, J. Trullàs
Static dielectric function of the molten copper halides
Journal of Physics: Condensed Matter 7, 8877 (1995)

 

J. Trullàs, A. Giró, R. Fontanet, M. Silbert
Charge effects in the structure of an almost-ionic solid: Molecular dynamics studies
Physical Review B 50, 16279 (1994)

 

J. Boronat, M. Silbert
Charge ordering and size effects in the structure of a model 2:1 ionic compound
Physics and Chemistry of Liquids 27, 123-135 (1994)

 

A. Giró, R. Fontanet, J. Trullàs, M. Silbert
Molecular Dynamics study of ion charge effects in the structure of ionic crystals
in "Physics ComputingÆ92", ed. R. A. de Groot, J. Nadrchal
World Scientific, Singapore (1993) pp. 333-334

 

M. Silbert, A. Giró, J. Trullàs
Continuous pressure-induced structural transition in the noble-metal halide melts
Physical Review B 46, 14886 (1992)

 

J. Trullàs, J. A. Padró
Dynamic cross-correlations in molten salts and soft-sphere binary liquid mixtures. A molecular dynamics study
in "Molecular Liquids: New perspectives in Physics and Chemistry" ed. J. J. Teixeira-Dias
Kluwer Academic Publishers, Netherlands (1992) pp. 393-414

 

J. Trullàs, A. Giró, J. A. Padró, M. Silbert
Charge ordering and size effects in the sodium chloride and copper chloride melts. A computer simulation study
Physica A 171, 384-402 (1991)

 

J. Trullàs, A. Giró, M. Silbert
Potentials and correlation functions for the copper halide and silver iodide melts: II. Time correlation functions and ionic transport properties
Journal of Physics: Condensed Matter 2, 6643-6650 (1990)

 

A. J. Stafford, M. Silbert, J. Trullàs, A. Giró
Potentials and correlation functions for the copper halide and silver iodide melts: I. Static correlations
Journal of Physics: Condensed Matter 2, 6631-6641 (1990)