86 citations · 102 across the 5 of their papers we have counts for
5 papers
Comparing the Mechanical and Thermodynamic Definitions of Pressure in Ice Nucleation
Pablo Montero de Hijes, Kaihang Shi, Carlos Vega +1
Crystal nucleation studies using hard-sphere and Lennard-Jones models have shown that the pressure within the nucleus is lower than that in the surrounding liquid. Here, we use the…
Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
Nicodemo Di Pasquale, Jesus Algaba, Pablo Montero de Hijes +12
The theory of interfacial properties in liquid-liquid or liquid-vapour systems is nearly 200 years old. The advent of computational tools has greatly advanced the field, mainly thr…
Predictions of the interfacial free energy along the coexistence line from single-state calculations
Ignacio Sanchez-Burgos, Pablo Montero de Hijes, Eduardo Sanz +2
The calculation of the interfacial free energy between two thermodynamic phases is crucial across various fields, including materials science, chemistry, and condensed matter physi…
Statistical mechanics of crystal nuclei of hard spheres
Marjolein de Jager, Carlos Vega, Pablo Montero de Hijes +2
In the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, th…
The Young-Laplace equation for a solid-liquid interface
P. Montero de Hijes, K. Shi, E. G. Noya +4
The application of the Young-Laplace equation to a solid-liquid interface is considered. Computer simulations show that the pressure inside a solid cluster of hard spheres is small…