The interplay between liquid-liquid and ferroelectric phase transitions in supercooled water

The distinctive characteristics of water, evident in its thermodynamic anomalies, have implications across disciplines from biology to geophysics. Considered a valid hypothesis to rationalize its unique properties, a liquid-liquid phase transition in water's supercooled regime has nowadays been...

Full description

Saved in:
Bibliographic Details
Published inarXiv.org
Main Authors Izzo, Maria Grazia, Russo, John, Pastore, Giorgio
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 23.09.2024
Subjects
Density functional theory
Ferroelectric materials
Ferroelectricity
Geophysics
Liquid phases
Molecular dynamics
Phase transitions
Polarization
Simulation
Water
Online AccessGet full text

Cover

More Information
Summary:The distinctive characteristics of water, evident in its thermodynamic anomalies, have implications across disciplines from biology to geophysics. Considered a valid hypothesis to rationalize its unique properties, a liquid-liquid phase transition in water's supercooled regime has nowadays been observed in several molecular dynamics simulations and is being actively researched experimentally. Here, we highlight intriguing and far-reaching implications of water: the ferroelectric and liquid-liquid phase transitions can be designed as two facets of the same underlying phenomenon. Our results are based on the analysis of extensive molecular dynamics simulations and are explained in the context of a classical density functional theory in mean-field approximation valid for a polar liquid. The theory underpins the potential role of ferroelectricity in promoting the liquid-liquid phase transition. The existence of ferroelectric order in supercooled low-density liquid water is confirmed by the observation in molecular dynamics simulations of collective modes in polarization fluctuations dynamics, traceable to spontaneous breaking of continuous rotational symmetry. Our work opens the door to new experimental investigations of the static and dynamic behavior of water polarization.
ISSN:2331-8422