3 papers
cond-mat.soft2026
The Key Physics of Ice Premelting
Luis G. MacDowell
A disordered quasi-liquid layer of water is thought to cover the ice surface, but many issues, such as its onset temperature, its thickness, or its actual relation to bulk liquid w…
cond-mat.soft2025
Impact of the sodium and calcium chlorides uptake on the interfacial behavior of ice: premelting, structure, and dynamics
Åukasz Baran, Luis G. MacDowell
Hypothesis: Seawater ice and frozen aqueous solutions in contact with air can exhibit a thin quasi-brine surface layer intruding between ice and vapor, but a detailed characterizat…
cond-mat.soft2025
How important is the dielectric constant in water modeling? Evaluation of the performance of the TIP4P/ force field and its compatibility with the Joung-Cheatham NaCl model
Åukasz Baran, Cosmin A. Dicu-Gohoreanu, Luis G. MacDowell
Efficient large-scale computer simulations of aqueous solutions require the use of accurate but simple empirical force fields for water. However, the complexity of these systems ev…