Dynamical Crossover in Supercritical Water

TL;DR

This study uses computer simulations to analyze the dynamical crossover in supercritical water, revealing a crossover line similar to the melting curve and accessible for experimental verification.

Contribution

It introduces a computational approach to identify the dynamical crossover line in supercritical water, linking it to the melting curve and experimental conditions.

Findings

The crossover temperature is determined from velocity autocorrelation functions.

The dynamical crossover line resembles the melting curve behavior.

The crossover region is experimentally accessible.

Abstract

Dynamical crossover in water is studied by means of computer simulation. The crossover temperature is calculated from the behavior of velocity autocorrelation functions. The results are compared with experimental data. It is shown that the qualitative behavior of the dynamical crossover line is similar to the melting curve behavior. Importantly, the crossover line belongs to experimentally achievable $(P,T)$ region which stimulates the experimental investigation in this field.