Details

Autor(en) / Beteiligte

• Diewald, Felix
• Heier, Michaela
• Lautenschläger, Martin
• Kuhn, Charlotte
• Langenbach, Kai
• Hasse, Hans
• Müller, Ralf

Titel

Phase Field Simulations of Wetting Based on Molecular Simulations

Ist Teil von

• Proceedings in applied mathematics and mechanics, 2021-01, Vol.20 (1), p.n/a

Ort / Verlag

Berlin: Wiley‐VCH GmbH

Erscheinungsjahr

2021

Quelle

Wiley Online Library - AutoHoldings Journals

Beschreibungen/Notizen

• Manufacturing techniques that can produce surfaces with a defined microstructure are in the focus of current research efforts. The ability to manufacture such surfaces gives rise to the need for numerical models that can predict the wetting properties of a given microstructure and can help to optimize these surfaces with respect to certain wetting properties. The present phase field (PF) model for wetting is linked to molecular dynamics (MD) simulations by the usage of the MD based perturbed Lennard‐Jones truncated and shifted (PeTS) equation of state as well as a MD based viscosity correlation. The lower computational effort of the PF simulations compared to MD simulations enables the model to simulate wetting scenarios on the microscale.