Intermolecular forces at ice and water interfaces: Premelting, surface freezing, and regelation
J Luengo-Márquez, F Izquierdo-Ruiz… - The Journal of …, 2022 - pubs.aip.org
Using Lifshitz theory, we assess the role of van der Waals forces at interfaces of ice and
water. The results are combined with measured structural forces from computer simulations …
water. The results are combined with measured structural forces from computer simulations …
Bathochromic Shift in the UV–visible absorption spectra of phenols at ice surfaces: insights from first-principles calculations
Some organic pollutants in snowpacks undergo faster photodegradation than in solution.
One possible explanation for such effect is that their UV–visible absorption spectra are …
One possible explanation for such effect is that their UV–visible absorption spectra are …
Self-diffusion and shear viscosity for the TIP4P/Ice water model
Ł Baran, W Rżysko, LG MacDowell - The Journal of Chemical Physics, 2023 - pubs.aip.org
With an ever-increasing interest in water properties, many intermolecular force fields have
been proposed to describe the behavior of water. Unfortunately, good models for liquid …
been proposed to describe the behavior of water. Unfortunately, good models for liquid …
How ice grows from premelting films and water droplets
Close to the triple point, the surface of ice is covered by a thin liquid layer (so-called quasi-
liquid layer) which crucially impacts growth and melting rates. Experimental probes cannot …
liquid layer) which crucially impacts growth and melting rates. Experimental probes cannot …
Lifshitz theory of wetting films at three phase coexistence: The case of ice nucleation on Silver Iodide (AgI)
J Luengo-Márquez, LG MacDowell - Journal of Colloid and Interface …, 2021 - Elsevier
Hypothesis As a fluid approaches three phase coexistence, adsorption may take place by
the successive formation of two intervening wetting films. The equilibrium thickness of these …
the successive formation of two intervening wetting films. The equilibrium thickness of these …
Effect of sodium chloride adsorption on the surface premelting of ice
We characterise the structural properties of the quasi-liquid layer (QLL) at two low-index ice
surfaces in the presence of sodium chloride (Na+/Cl−) ions by molecular dynamics …
surfaces in the presence of sodium chloride (Na+/Cl−) ions by molecular dynamics …
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 …
Analytical theory of ice-skating friction with flat contact
F Du - Tribology Letters, 2023 - Springer
Although a thin meltwater layer that acts as lubricant attributes to the low friction on ice, there
still lacks analytical theories that can forecast the friction force on ice. Based on the evolution …
still lacks analytical theories that can forecast the friction force on ice. Based on the evolution …
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 …
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 …