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Zaragoza, Alberto ; Tripathi, Chandra Shekhar Pati ; González, Miguel A. ; Abascal, José Luis F. ; Caupin, Frédéric ; Valeriani, Chantal | Amer Inst Physics | 2020-05-21Adding salt to water at ambient pressure affects its thermodynamic properties. At low salt concentration, anomalies such as the density maximum are shifted to lower temperature, while at large enough salt concentration, they cannot be observed a[...]texto impreso
Rosales Peláez, P. ; García Cid, M. I. ; Valeriani, Chantal ; Vega, C. ; Sanz, E. | American Physical Society | 2019-11-20We investigate vapor homogeneous nucleation in a superheated Lennard-Jones liquid with computer simulations. Special simulation techniques are required to address this study since the nucleation of a critical vapor bubble-one that has an equal c[...]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
Martínez, Raúl ; Alarcón, Francisco ; Aragonés, Juan Luis ; Valeriani, Chantal | Royal Soc Chemistry | 2020-05-28Asymmetric obstacles can be exploited to direct the motion and induce sorting of run-and-tumble particles. In this work, we show that flocking particles which follow the Vicsek model aligning rules experience collective trapping in the presence [...]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 [...]
