Diewald, Felix ; Heier, Michaela ; Lautenschläger, Martin ; Kuhn, Charlotte ; Langenbach, Kai ; Hasse, Hans ; Müller, Ralf (2021)
Phase Field Simulations of Wetting Based on Molecular Simulations.
In: PAMM — Proceedings in Applied Mathematics and Mechanics, 20 (1)
doi: 10.1002/pamm.202000035
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
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.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2021 |
| Autor(en): | Diewald, Felix ; Heier, Michaela ; Lautenschläger, Martin ; Kuhn, Charlotte ; Langenbach, Kai ; Hasse, Hans ; Müller, Ralf |
| Art des Eintrags: | Bibliographie |
| Titel: | Phase Field Simulations of Wetting Based on Molecular Simulations |
| Sprache: | Englisch |
| Publikationsjahr: | 25 Januar 2021 |
| Verlag: | Wiley |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | PAMM — Proceedings in Applied Mathematics and Mechanics |
| Jahrgang/Volume einer Zeitschrift: | 20 |
| (Heft-)Nummer: | 1 |
| DOI: | 10.1002/pamm.202000035 |
| URL / URN: | https://onlinelibrary.wiley.com/doi/abs/10.1002/pamm.2020000... |
| Kurzbeschreibung (Abstract): | 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. |
| Zusätzliche Informationen: | Artikel-ID: e202000035 |
| Fachbereich(e)/-gebiet(e): | 13 Fachbereich Bau- und Umweltingenieurwissenschaften 13 Fachbereich Bau- und Umweltingenieurwissenschaften > Fachgebiete der Mechanik 13 Fachbereich Bau- und Umweltingenieurwissenschaften > Fachgebiete der Mechanik > Fachgebiet Kontinuumsmechanik |
| Hinterlegungsdatum: | 04 Mai 2022 09:00 |
| Letzte Änderung: | 05 Mai 2022 05:46 |
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