Close-packed ices in nanopores

K Mochizuki, Y Adachi, K Koga - ACS nano, 2023 - ACS Publications
Water molecules in any of the ice polymorphs organize themselves into a perfect four-
coordinated hydrogen-bond network at the expense of dense packing. Even at high …

Atomistic insight into the shock-induced bubble collapse in water

S Rawat, N Mitra - Physics of Fluids, 2023 - pubs.aip.org
Atomistic simulations are employed to investigate the dynamics of shock-induced bubble
collapse in water. Two types of bubbles (an empty bubble and a bubble filled with N 2 gas) …

Molecular rotations trigger a glass-to-plastic fcc heterogeneous crystallization in high-pressure water

MJ Zimoń, F Martelli - The Journal of Chemical Physics, 2023 - pubs.aip.org
We report a molecular dynamics study of the heterogeneous crystallization of high-pressure
glassy water using (plastic) ice VII as a substrate. We focus on the thermodynamic …

Electrolyte Permeability in Plastic Ice VII

F Martelli - The Journal of Physical Chemistry B, 2023 - ACS Publications
Deep brines in water-rich planets form when electrolytes diffuse from the rocky interior
through layers of thick dense ice such as ice VII and the hypothesized plastic ice VII. We …

Temperature-and pressure-dependence of the hydrogen bond network in plastic ice VII

A Toffano, J Russo, M Rescigno, U Ranieri… - The Journal of …, 2022 - pubs.aip.org
We model, via classical molecular dynamics simulations, the plastic phase of ice VII across a
wide range of the phase diagram of interest for planetary investigations. Although structural …

Hydrogen dynamics in solids: quantum diffusion and plastic phase transition in hydrates under pressure

N Avallone - 2023 - theses.hal.science
Atomic-scale simulations of ammonia hydrates pose major theoretical and numerical
challenges for several reasons. The description of disordered and/or frustrated systems …