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In this work we simulate the adsorption of wetting liquid argon films on a model substrate. We calculate the disjoining pressure isotherm and show that it is completely dominated by the long range van der Waals interactions. Thick films exhibit [...]texto impreso
Montero de Hijes, Pablo ; Espinosa, Jorge R. ; Bianco, Valentino ; Sanz García, Eduardo ; Vega de las Heras, Carlos | American Chemical Society (ACS) | 2020In this work, we study by means of simulations of hard spheres the equilibrium between a spherical solid cluster and the fluid. In the NVT ensemble we observe stable/metastable clusters of the solid phase in equilibrium with the fluid, represent[...]texto impreso
Coelho, Joao Paulo ; Mayoral, María José ; Camacho, Luis ; Martín-Romero, María T. ; Tardajos Rodríguez, Gloria ; López-Montero, Iván ; Sanz García, Eduardo ; Ávila Brande, David ; Giner-Casares, Juan José ; Fernández, Gustavo ; Guerrero Martínez, Andrés | American Chemical Society (ACS) | 2017The ability to respond toward mechanical stimuli is a fundamental property of biological organisms at both the macroscopic and cellular levels, yet it has been considerably less observed in artificial supramolecular and colloidal homologues. An [...]texto impreso
Rosales Peláez, Pablo ; Sánchez Burgos, Ignacio ; Valeriani, Chantal ; Vega, Carlos ; Sanz García, Eduardo | American Physical Society | 2020-02-25Simulations are widely used to study nucleation in first order phase transitions due to the fact that they have access to the relevant length and time scales. However, simulations face the problem that nucleation is an activated process. Therefo[...]texto impreso
Soria, Guiomar D. ; Espinosa, Jorge R. ; Ramirez, Jorge ; Valeriani, Chantal ; Vega de las Heras, Carlos ; Sanz García, Eduardo | Amer Inst Physics | 2018-06-14We use computer simulations to investigate the effect of salt on homogeneous ice nucleation. The melting point of the employed solution model was obtained both by direct coexistence simulations and by thermodynamic integration from previous calc[...]texto impreso
Benet, Jorge ; Llombart, Pablo ; Sanz García, Eduardo ; MacDowell, Luis G. | Taylor & Francis | 2019-03-05In this paper we study the structure of the ice/vapor interface in the neighborhood of the triple point for the TIP4P/2005 model. We probe the fluctuations of the ice/film and film/vapor surfaces that separate the liquid film from the coexisting[...]texto impreso
Montero de Hijes, Pablo ; Sanz García, Eduardo ; Joly, Laurent ; Valeriani, Chantal ; Caupin, Frédéric | Amer Inst Physics | 2018-09-07Among the numerous anomalies of water, the acceleration of dynamics under pressure is particularly puzzling. Whereas the diffusivity anomaly observed in experiments has been reproduced in several computer studies, the parallel viscosity anomaly [...]
