Cooling rate, heating rate and aging effects in glassy water

TL;DR

This study uses molecular dynamics simulations to analyze how cooling, heating, and aging affect the potential energy landscape of glassy water, revealing conditions under which glass states resemble equilibrium liquids.

Contribution

It provides a detailed comparison of the potential energy landscape during cooling, heating, and aging, highlighting the influence of rates and aging on glass-liquid state correspondence.

Findings

Potential energy landscape varies with cooling/heating rates.

Aging affects the landscape and glass-liquid similarity.

Conditions identified where glass states resemble equilibrium liquids.

Abstract

We report a molecular dynamics simulation study of the properties of the potential energy landscape sampled by a system of water molecules during the process of generating a glass by cooling, and during the process of regenerating the equilibrium liquid by heating the glass. We study the dependence of these processes on the cooling/heating rates as well as on the role of aging (the time elapsed in the glass state). We compare the properties of the potential energy landscape sampled during these processes with the corresponding properties sampled in the liquid equilibrium state to elucidate under which conditions glass configurations can be associated with equilibrium liquid configurations.