by
Fausto Martelli(Department of Chemistry, Princeton University (USA))
→
Europe/Rome
Aula Corbino (Dipartimento di Fisica-Ed. G. Marconi)
Aula Corbino
Dipartimento di Fisica-Ed. G. Marconi
Description
We have performed numerical simulations to explore the free energy landscape of supercooled ST2 water observing three stable basins in the density/Q6 plane: the High Density Liquid (HDL), Low Density Liquid (LDL) and cubic Ice. While the HDL and LDL free energy region has been already deeply studied from many groups with contrasting opinions the presence of the Ice basins has been proposed but never seen before our study. We have observed that the LDL is a stable polymorph in equilibrium with the Ice. With the help of ring statistics analysis we have observed that the number of 6-folded rings increases in the density/Q6 plane moving from the HDL (with the lowest value of Q6) to the saddle point, and that a rearrangement region after the saddle point, followed by progressive, entropy guided crystallization.
