Ion dissociation dynamics in an aqueous premelting layer
SP Niblett, DT Limmer - The Journal of Physical Chemistry B, 2021 - ACS Publications
Using molecular dynamics simulations and methods of importance sampling, we study the
thermodynamics and dynamics of sodium chloride in the aqueous premelting layer formed …
thermodynamics and dynamics of sodium chloride in the aqueous premelting layer formed …
Can clathrates heterogeneously nucleate ice?
MH Factorovich, PM Naullage… - The Journal of Chemical …, 2019 - pubs.aip.org
Methane hydrates can be preserved at ambient pressure, beyond their region of
thermodynamic stability, by storing them at temperatures from 240 to 270 K. The origin of this …
thermodynamic stability, by storing them at temperatures from 240 to 270 K. The origin of this …
Rounded layering transitions on the surface of ice
Understanding the wetting properties of premelting films requires knowledge of the film's
equation of state, which is not usually available. Here we calculate the disjoining pressure …
equation of state, which is not usually available. Here we calculate the disjoining pressure …
Premelting of ice adsorbed on a rock surface
V Esteso, S Carretero-Palacios… - Physical Chemistry …, 2020 - pubs.rsc.org
Considering ice-premelting on a quartz rock surface (ie silica) we calculate the Lifshitz
excess pressures in a four layer system with rock–ice–water–air. Our calculations give …
excess pressures in a four layer system with rock–ice–water–air. Our calculations give …
Grain-Boundary Sliding in Ice Ih: Tribology and Rheology at the Nanoscale
IA Ribeiro, M Koning - The Journal of Physical Chemistry C, 2021 - ACS Publications
Using nonequilibrium molecular dynamics simulations, we investigate the process of grain-
boundary (GB) sliding in ice Ih. We focus on the∑ 35 symmetric tilt boundary, which has …
boundary (GB) sliding in ice Ih. We focus on the∑ 35 symmetric tilt boundary, which has …
[HTML][HTML] Crystal imperfections in ice Ih
M de Koning - The Journal of Chemical Physics, 2020 - pubs.aip.org
In this paper, we present an overview of crystal imperfections in ice Ih. Due to its molecular
nature, the fundamental asymmetry of the hydrogen bond, and proton disorder, crystal …
nature, the fundamental asymmetry of the hydrogen bond, and proton disorder, crystal …
[HTML][HTML] In-layer inhomogeneity of molecular dynamics in quasi-liquid layers of ice
Quasi-liquid layers (QLLs) are present on the surface of ice and play a significant role in its
distinctive chemical and physical properties. These layers exhibit considerable …
distinctive chemical and physical properties. These layers exhibit considerable …
Critical surface tension and specific surface free energy of clathrate hydrate
The specific surface free energy (γsv) of a solid is the work required to create a unit area of a
solid in a vacuum. γsv is a fundamental physical quantity that plays a central role in …
solid in a vacuum. γsv is a fundamental physical quantity that plays a central role in …
[HTML][HTML] Sliding friction on ice
N Miyashita, AE Yakini, W Pyckhout-Hintzen… - The Journal of …, 2023 - pubs.aip.org
We study the friction when rectangular blocks made from rubber, polyethylene, and silica
glass are sliding on ice surfaces at different temperatures ranging from− 40 to 0 C, and …
glass are sliding on ice surfaces at different temperatures ranging from− 40 to 0 C, and …
[HTML][HTML] Computationally efficient approach for the identification of ice-binding surfaces and how they bind ice
Recognition and binding of ice by proteins, crystals, and other surfaces is key for their
control of the nucleation and growth of ice. Docking is the state-of-the-art computational …
control of the nucleation and growth of ice. Docking is the state-of-the-art computational …