336 citations · 992 across the 12 of their papers we have counts for
12 papers
Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation
Jorge R. Espinosa, Alberto Zaragoza, Pablo Rosales-Peláez +4
The avoidance of water freezing is the holy grail in the cryopreservation of biological samples, food, and organs. Fast cooling rates are used to beat ice nucleation and avoid cell…
Variational Umbrella Seeding for Calculating Nucleation Barriers
Willem Gispen, Jorge R. Espinosa, Eduardo Sanz +2
In this work, we introduce Variational Umbrella Seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far…
Interfacial free energy and Tolman length of curved liquid-solid interfaces from equilibrium studies
P. Montero de Hijes, Jorge. R. Espinosa, Valentino Bianco +2
In 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 clu…
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water
Ignacio Sanchez-Burgos, Maria Carolina Muniz, Jorge R. Espinosa +1
Computational studies of liquid water and its phase transition into vapor have traditionally been performed using classical water models. Here we utilize the Deep Potential methodo…
Direct calculation of the planar NaCl-aqueous solution interfacial free energy at the solubility limit
Ignacio Sanchez-Burgos, Jorge R. Espinosa
Salty water is the most abundant electrolyte aqueous mixture on Earth, however, very little is known about the NaCl-saturated solution interfacial free energy. Here, we provide the…
Heterogeneous versus homogeneous crystal nucleation in hard spheres
Jorge R. Espinosa, Carlos Vega, Chantal Valeriani +2
Hard-sphere model systems are well-suited in both experiment and simulations to investigate fundamental aspects of the crystallization of fluids. In experiments on colloidal models…
Homogeneous Ice Nucleation Rate in Water Droplets
Jorge R. Espinosa, Carlos Vega, Eduardo Sanz
To predict the radiative forcing of clouds it is necessary to know the rate with which ice homogeneously nucleates in supercooled water. Such rate is often measured in drops to avo…
Phase boundaries, nucleation rates and speed of crystal growth of the water-to-ice transition under an electric field: a simulation study
Alberto Zaragoza, Jorge R Espinosa, Regina Ramos +6
We investigate with computer simulations the effect of applying an electric field on the water-to-ice transition. We use a combination of state-of-the-art simulation techniques to…
A simulation study of homogeneous ice nucleation in supercooled salty water
Guiomar D. Soria, Jorge R. Espinosa, Jorge Ramirez +3
We 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 coexistenc…
The mold integration method for the calculation of the crystal-fluid interfacial free energy from simulations
J. R. Espinosa, C. Vega, E. Sanz
The interfacial free energy between a crystal and a fluid, γ cf, is a highly relevant parameter in phenomena such as wetting or crystal nucleation and growth. Due to the difficulty…
Homogeneous ice nucleation evaluated for several water models
J. R. Espinosa, E. Sanz, C. Valeriani +1
In this work, we evaluate by means of computer simulations the rate for ice homogeneous nucleation for several water models such as TIP4P, TIP4P/2005,TIP4P/ICE, and mW (following t…
Homogeneous ice nucleation at moderate supercooling from molecular simulation
E. Sanz, C. Vega, J. R. Espinosa +3
Among all the freezing transitions, that of water into ice is probably the most relevant to biology, physics, geology or atmospheric science. In this work we investigate homogeneou…