5 papers
Impact of the sodium and calcium chlorides uptake on the interfacial behavior of ice: premelting, structure, and dynamics
Łukasz 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…
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…
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
Łukasz 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…
Understanding Interfacial Ice Premelting: Structure, Adhesion and Nucleation
Łukasz Baran, Pablo Llombart, Luis G. MacDowell
In this work, we perform a systematic computer simulation study of ice premelting, and explore the thickness and structure of quasi-liquid layers formed at the interface of ice wit…
Is it possible to overheat ice? The activated melting of TIP4P/Ice at solid-vapor coexistence
Lukasz Baran, Pablo Llombart, Eva G. Noya +1
A widely accepted phenomenological rule states that solids with free surfaces cannot be overheated. In this work we discuss this statement critically under the light of the statist…