Ice is born in low-mobility regions of supercooled liquid water

M Fitzner, GC Sosso, SJ Cox… - Proceedings of the …, 2019 - National Acad Sciences
When an ice crystal is born from liquid water, two key changes occur:(i) The molecules order
and (ii) the mobility of the molecules drops as they adopt their lattice positions. Most …

[HTML][HTML] A physically constrained classical description of the homogeneous nucleation of ice in water

T Koop, BJ Murray - The Journal of chemical physics, 2016 - pubs.aip.org
Liquid water can persist in a supercooled state to below 238 K in the Earth's atmosphere, a
temperature range where homogeneous nucleation becomes increasingly probable …

Ice crystallization in water's “no-man's land”

EB Moore, V Molinero - The Journal of chemical physics, 2010 - pubs.aip.org
The crystallization of water at 180 K is studied through large-scale molecular dynamics
simulations with the monatomic water model mW. This temperature is in the middle of …

New metastable form of ice and its role in the homogeneous crystallization of water

J Russo, F Romano, H Tanaka - Nature materials, 2014 - nature.com
The homogeneous crystallization of water at low temperature is believed to occur through
the direct nucleation of cubic (Ic) and hexagonal (Ih) ices. Here, we provide evidence from …

Is it cubic? Ice crystallization from deeply supercooled water

EB Moore, V Molinero - Physical Chemistry Chemical Physics, 2011 - pubs.rsc.org
Ice crystallized below 200 K has the diffraction pattern of a faulty cubic ice, and not of the
most stable hexagonal ice polymorph. The origin and structure of this faulty cubic ice …

Temperature dependence of homogeneous nucleation in ice

H Niu, YI Yang, M Parrinello - Physical review letters, 2019 - APS
Ice nucleation is a process of great relevance in physics, chemistry, technology, and
environmental sciences; much theoretical effort has been devoted to its understanding, but it …

Competition between ices Ih and Ic in homogeneous water freezing

A Zaragoza, MM Conde, JR Espinosa… - The Journal of …, 2015 - pubs.aip.org
The role of cubic ice, ice Ic, in the nucleation of ice from supercooled water has been widely
debated in the past decade. Computer simulations can provide insightful information about …

Challenges in molecular simulation of homogeneous ice nucleation

AV Brukhno, J Anwar, R Davidchack… - Journal of Physics …, 2008 - iopscience.iop.org
We address the problem of recognition and growth of ice nuclei in simulation of supercooled
bulk water. Bond orientation order parameters based on the spherical harmonics analysis …

Structural transformation in supercooled water controls the crystallization rate of ice

EB Moore, V Molinero - Nature, 2011 - nature.com
One of water's unsolved puzzles is the question of what determines the lowest temperature
to which it can be cooled before freezing to ice. The supercooled liquid has been probed …

Anomalous behavior of the homogeneous ice nucleation rate in “no-man's land”

H Laksmono, TA McQueen, JA Sellberg… - The journal of …, 2015 - ACS Publications
We present an analysis of ice nucleation kinetics from near-ambient pressure water as
temperature decreases below the homogeneous limit TH by cooling micrometer-sized …