Effect of Surface Nano-texturing on Wetting Properties: Molecular Dynamics Study

M Aleksandrovych (1, 2) , Guillaume Castanet (1) , S Burian (2) , F. Lemoine (1) , David Lacroix (1) , Mykola Isaiev (1)

1 LEMTA - Laboratoire d'Energétique et Mécanique Théorique et Appliquée
2 Taras Shevchenko National University of Kyiv

Molecular dynamics simulations describing the equilibrium shape of a nanodroplet located on the solid substrate are presented for the cases of a "cylindrical water droplet" on silicon substrates. Several examples of the structuration of the solid substrate surface are simulated, i.e.: atomistic flat substrate and substrates with ordered nanopillars and nanopores. The adhesives forces between molecules of the substrate and the fluid are modified to change the wettability. Three wetting configurations are considered in this work for the smooth surface: (i) hydrophilic (θ= 30°), (ii) hydrophobic (θ= 136°), and (iii) an intermediate regime (θ= 80°). Further, the dependence of the wetting angle as a function of the surface state is studied in details for the above-mentioned configurations

Mots clés: solid/fluid interface; wetting; nanostructured surface; molecular dynamics.

Domaines: Matière Molle [cond-mat.soft]; Chimie-Physique [physics.chem-ph]

M Aleksandrovych, Guillaume Castanet, S Burian, F. Lemoine, David Lacroix, et al.. Effect of Surface Nano-texturing on Wetting Properties: Molecular Dynamics Study. Ukrainian Journal of Physics, 2020, 65 (9), pp.817-822. ⟨10.15407/ujpe65.9.817⟩. ⟨hal-02920158⟩