Water: A tale of two liquids

P Gallo, K Amann-Winkel, CA Angell… - Chemical …, 2016 - ACS Publications
Water is the most abundant liquid on earth and also the substance with the largest number
of anomalies in its properties. It is a prerequisite for life and as such a most important subject …

[HTML][HTML] Liquid–liquid transition and polyamorphism

H Tanaka - The Journal of Chemical Physics, 2020 - pubs.aip.org
Two or more liquid states may exist even for single-component substances, which is known
as liquid polymorphism, and the transition between them is called liquid–liquid transition …

Effect of hydrogen bond cooperativity on the behavior of water

K Stokely, MG Mazza, HE Stanley… - Proceedings of the …, 2010 - pnas.org
Four scenarios have been proposed for the low-temperature phase behavior of liquid water,
each predicting different thermodynamics. The physical mechanism that leads to each is …

Nanoconfined fluids: Uniqueness of water compared to other liquids

F Leoni, C Calero, G Franzese - ACS nano, 2021 - ACS Publications
Nanoconfinement can drastically change the behavior of liquids, puzzling us with
counterintuitive properties. It is relevant in applications, including decontamination and …

Complex phase diagrams of systems with isotropic potentials: results of computer simulations

VN Ryzhov, EE Tareyeva, YD Fomin… - Physics-Uspekhi, 2020 - iopscience.iop.org
This review is based on a talk by the authors at the field Scientific session of the Physical
Sciences Division of the Russian Academy of Sciences devoted to the 60th anniversary of …

Coarse‐Graining with the Relative Entropy

MS Shell - Advances in chemical physics, 2016 - Wiley Online Library
This chapter describes that has sought to use information loss concepts and the relative
entropy as a thermodynamic framework for multiscale modeling, with a particular focus on …

SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range

O Lobanova, C Avendaño, T Lafitte, EA Müller… - Molecular …, 2015 - Taylor & Francis
In this work, we develop coarse-grained (CG) force fields for water, where the effective CG
intermolecular interactions between particles are estimated from an accurate description of …

Waterlike thermodynamic anomalies in a repulsive-shoulder potential system

NV Gribova, YD Fomin, D Frenkel, VN Ryzhov - Physical Review E—Statistical …, 2009 - APS
We report a computer-simulation study of the equilibrium phase diagram of a three-
dimensional system of particles with a repulsive-shoulder potential. The phase diagram was …

Unusual phase behavior of one-component systems with two-scale isotropic interactions

SV Buldyrev, G Malescio, CA Angell… - Journal of Physics …, 2009 - iopscience.iop.org
We study the phase behavior of systems of particles interacting through pair potentials with a
hard core plus a soft repulsive component. We consider several different forms of soft …

Anomalous structure and dynamics of the Gaussian-core fluid

WP Krekelberg, T Kumar, J Mittal, JR Errington… - Physical Review E …, 2009 - APS
It is known that there are thermodynamic states for which the Gaussian-core fluid displays
anomalous properties such as expansion upon isobaric cooling (density anomaly) and …