336 citations · 1.6k across the 14 of their papers we have counts for
8 papers · 1 filter
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…
Seeding Approach to Bubble Nucleation in Superheated Lennard Jones Fluids
Pablo Rosales-Pelaez, Marta Irene Garcia-Cid, Chantal Valeriani +2
We investigate vapor homogeneous nucleation in a superheated Lennard Jones liquid with computer simulations. Special simulation techniques are required to address this study since…
Seeding Approach to nucleation in the NVT ensemble: the case of bubble cavitation in overstretched Lennard Jones fluids
Pablo Rosales-Pelaez, Ignacio Sanchez-Burgos, Chantal Valeriani +2
Simulations 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…
Avalanches mediate crystallization in a hard-sphere glass
Eduardo Sanz, Chantal Valeriani, Emanuela Zaccarelli +3
By molecular-dynamics simulations, we have studied the devitrification (or crystallization) of aged hard-sphere glasses. First, we find that the dynamics of the particles are inter…
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…
Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS
J. L. Aragones, C. Valeriani, C. Vega
In this work the free energy of solid phases is computed for the Lennard-Jones potential and for a model of NaCl. The free energy is evaluated through the Einstein crystal/molecule…
From compact to fractal crystalline clusters in concentrated systems of monodisperse hard spheres
Chantal Valeriani, Eduardo Sanz, Peter N. Pusey +3
We address the crystallization of monodisperse hard spheres in terms of the properties of finite- size crystalline clusters. By means of large scale event-driven Molecular Dynamics…
Crystallization of hard-sphere glasses
E. Zaccarelli, C. Valeriani, E. Sanz +3
We study by molecular dynamics the interplay between arrest and crystallization in hard spheres. For state points in the plane of volume fraction () and po…