Molecular dynamics and phase field simulations of droplets on surfaces with wettability gradient

DOI10.1016/J.CMA.2019.112773MaRDI QIDQ2176952zbMATH OpenOpenAlexWikidataFDO

Authors Felix Diewald, Martin P. Lautenschlaeger, Simon Stephan, Kai Langenbach, Charlotte Kuhn, Steffen Seckler, Hans Hasse, Hans-Joachim Bungartz, R. Mueller

Publication date 6 May 2020

Published in Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cma.2019.112773

zbMATH Keywords

multiscale modelingphase field modelingmolecular dynamics simulationsurface wettabilitydroplet motion

Mathematics Subject Classification ID

Capillarity (surface tension) for incompressible inviscid fluids (76B45)

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Cites work

• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• A local discontinuous Galerkin method for the (non)-isothermal Navier-Stokes-Korteweg equations
• DIFFUSE-INTERFACE METHODS IN FLUID MECHANICS
• Diffuse-interface modeling of liquid-vapor phase separation in a van der Waals fluid
• Functional entropy variables: a new methodology for deriving thermodynamically consistent algorithms for complex fluids, with particular reference to the isothermal Navier-Stokes-Korteweg equations
• Isogeometric analysis of the isothermal Navier-Stokes-Korteweg equations
• Isogeometric analysis: CAD, finite elements, NURBS, exact geometry and mesh refinement
• Liquid-vapor phase transition: thermomechanical theory, entropy stable numerical formulation, and boiling simulations
• Liquid-vapor transformations with surfactants. Phase-field model and isogeometric analysis
• Numerical solution of Navier-Stokes-Korteweg systems by local discontinuous Galerkin methods in multiple space dimensions
• PRINCIPLES OF MICROFLUIDIC ACTUATION BY MODULATION OF SURFACE STRESSES
• Stable discretization of a diffuse interface model for liquid-vapor flows with surface tension

Cited in

(8)

• Effect of nanoscale structure of solid surface on moving droplet
• Molecular dynamics study of multicomponent droplet dissolution in a sparingly miscible liquid
• Phase field modeling and computation of multi-component droplet evaporation
• Gradient-induced droplet motion over soft solids
• A molecular view of Tanner's law: molecular dynamics simulations of droplet spreading
• Monte Carlo studies of wetting, interface localization and capillary condensation
• Effects of interface wettability on microscale flow by molecular dynamics simulation
• Nanoscale sheared droplet: volume-of-fluid, phase-field and no-slip molecular dynamics

Describes a project that uses

Uses Software

• MarDyn
• FEAP

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