Phase Field Simulations of Wetting Based on Molecular Simulations
- 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.
Author: | Felix Diewald, Michaela Heier, Martin Lautenschläger, Charlotte Kuhn, Kai Langenbach, Hans Hasse, Ralf Müller |
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URN: | urn:nbn:de:hbz:386-kluedo-80009 |
DOI: | https://doi.org/10.1002/pamm.202000035 |
ISSN: | 1617-7061 |
Parent Title (English): | Proceedings in Applied Mathematics and Mechanics |
Publisher: | Wiley |
Document Type: | Article |
Language of publication: | English |
Date of Publication (online): | 2024/04/12 |
Year of first Publication: | 2021 |
Publishing Institution: | Rheinland-Pfälzische Technische Universität Kaiserslautern-Landau |
Date of the Publication (Server): | 2024/04/12 |
Issue: | 20/1 |
Page Number: | 2 |
Source: | https://onlinelibrary.wiley.com/doi/10.1002/pamm.202000035 |
Faculties / Organisational entities: | Kaiserslautern - Fachbereich Maschinenbau und Verfahrenstechnik |
DDC-Cassification: | 6 Technik, Medizin, angewandte Wissenschaften / 620 Ingenieurwissenschaften und Maschinenbau |
Collections: | Open-Access-Publikationsfonds |
Licence (German): | Zweitveröffentlichung |