Dynamic Anomalies of Fluids with Isotropic Doubled-Ranged Potential

TL;DR

This study uses molecular dynamics simulations to explore how a double well potential can replicate the static and dynamic anomalies observed in liquid water, revealing conditions under which anomalies occur.

Contribution

It introduces an analytical double well potential model that reproduces water-like anomalies and clarifies the conditions for their appearance in phase space.

Findings

Anomalies occur when the outer minimum is deeper than the inner minimum.

Anomalies also appear inside the unstable region when the inner minimum is deeper.

The model successfully reproduces key water anomalies in simulations.

Abstract

Using molecular dynamics simulations we investigate the ability of an analytical three-dimensional double well in reproducing static and dynamic anomalies found experimentally in liquid water. We find anomalous behavior in the stable region of the phase diagram if the outer minimum is deeper than the inner minimum. In the case of a deeper inner minimum, anomalous behavior is also present but inside the unstable region.