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Phase Field Modeling of Dynamic Surface Wetting informed by Molecular Simulations

Diewald, Felix ; Wolf, Jana ; Heier, Michaela ; Lautenschläger, Martin ; Stephan, Simon ; Kuhn, Charlotte ; Langenbach, Kai ; Hasse, Hans ; Müller, Ralf (2021)
Phase Field Modeling of Dynamic Surface Wetting informed by Molecular Simulations.
In: PAMM — Proceedings in Applied Mathematics and Mechanics, 21 (1)
doi: 10.1002/pamm.202100051
Article, Bibliographie

Abstract

Wetting scenarios on the micro scale are becoming more important for a variety of engineering applications. The development of manufacturing techniques that can produce surfaces with a defined microstructure is in the scope of current research efforts. This allows to directly manipulate the wetting properties of a surface. Hence, a need for numerical models that can predict the wetting properties of microstructured surfaces arises. Phase field (PF) models can be applied for this purpose. The present PF model for wetting is informed by molecular dynamics (MD) simulations. It uses the MD based perturbed Lennard-Jones truncated and shifted (PeTS) equation of state and an MD based viscosity correlation. This approach ensures a sound physical foundation of the model.

Item Type: Article
Erschienen: 2021
Creators: Diewald, Felix ; Wolf, Jana ; Heier, Michaela ; Lautenschläger, Martin ; Stephan, Simon ; Kuhn, Charlotte ; Langenbach, Kai ; Hasse, Hans ; Müller, Ralf
Type of entry: Bibliographie
Title: Phase Field Modeling of Dynamic Surface Wetting informed by Molecular Simulations
Language: English
Date: 14 December 2021
Publisher: Wiley
Journal or Publication Title: PAMM — Proceedings in Applied Mathematics and Mechanics
Volume of the journal: 21
Issue Number: 1
DOI: 10.1002/pamm.202100051
URL / URN: https://onlinelibrary.wiley.com/doi/abs/10.1002/pamm.2021000...
Abstract:

Wetting scenarios on the micro scale are becoming more important for a variety of engineering applications. The development of manufacturing techniques that can produce surfaces with a defined microstructure is in the scope of current research efforts. This allows to directly manipulate the wetting properties of a surface. Hence, a need for numerical models that can predict the wetting properties of microstructured surfaces arises. Phase field (PF) models can be applied for this purpose. The present PF model for wetting is informed by molecular dynamics (MD) simulations. It uses the MD based perturbed Lennard-Jones truncated and shifted (PeTS) equation of state and an MD based viscosity correlation. This approach ensures a sound physical foundation of the model.

Additional Information:

Artikel-ID: e202100051

Divisions: 13 Department of Civil and Environmental Engineering Sciences
13 Department of Civil and Environmental Engineering Sciences > Mechanics
13 Department of Civil and Environmental Engineering Sciences > Mechanics > Continuum Mechanics
Date Deposited: 04 May 2022 08:58
Last Modified: 05 May 2022 05:50
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