pith. sign in

arxiv: 1206.0533 · v1 · pith:UIXEIE7Bnew · submitted 2012-06-04 · ❄️ cond-mat.soft · cond-mat.stat-mech· physics.chem-ph

Microsecond long atomistic simulation of supercooled water

classification ❄️ cond-mat.soft cond-mat.stat-mechphysics.chem-ph
keywords modelwaterliquidsupercooledbelownucleationphaseatomistic
0
0 comments X
read the original abstract

Supercooled water is a metastable phase of liquid water below the melting temperature. An interesting discussion recently developed on the relationship between crystallization rate and the time scales of equilibration within the liquid phase. Calculations using a coarse grained monatomic model of water, the mW model, suggested that equilibration of the liquid below the temperature of homogeneous nucleation $T_H\approx225$ K is slower than ice nucleation. Here, a 3 $\mu$s long molecular dynamics simulation of the TIP4P-Ew water model is presented to investigate the relaxation properties of an atomistic model in the supercooled region below $T_H$. Evidence is provided that the liquid phase of the TIP4P-Ew model is at equilibrium in the supercooled regime before ice nucleation.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.