Manifestations of metastable criticality in the long-range structure of model water glasses.

ABSTRACT: Much attention has been devoted to water's metastable phase behavior, including polyamorphism (multiple amorphous solid phases), and the hypothesized liquid-liquid transition and associated critical point. However, the possible relationship between these phenomena remains incompletely understood. Using molecular dynamics simulations of the realistic TIP4P/2005 model, we found a striking signature of the liquid-liquid critical point in the structure of water glasses, manifested as a pronounced increase in long-range density fluctuations at pressures proximate to the critical pressure. By contrast, these signatures were absent in glasses of two model systems that lack a critical point. We also characterized the departure from equilibrium upon vitrification via the non-equilibrium index; wate

SUBMITTER: Gartner TE 

PROVIDER: S-EPMC8185069 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature