Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods

Abstract

The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare event). We apply here the atomistic string method in the density field to the Cassie-Wenzel transition, a central problem in the field of superhydrophobicity. We discuss in detail the mechanism of wetting of a submerged hydrophobic cavity of nanometer size and its dependence on the geometry of the cavity. Furthermore, we discuss the algorithmic analogies between the string method and CREaM [Giacomello et al., Phys. Rev. Lett. 109, 226102 (2012)], a method inspired by the string that allows for a faster and simpler computation of the mechanism and of the free-energy profiles of the wetting process. This approach is general and can be employed in mesoscale and macroscopic calculations.

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Cited by in corpus (8)

• Unraveling the Salvinia paradox: design principles for submerged superhydrophobicity
• Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods
• Wetting and cavitation pathways on nanodecorated surfaces
• Collapse of superhydrophobicity on nanopillared surfaces
• The Cassie-Wenzel transition of fluids on nanostructured substrates: Macroscopic force balance versus microscopic density-functional theory
• Intrusion and extrusion of a liquid on nanostructured surfaces
• Can one predict a drop contact angle?
• Long-wavelength density fluctuations as nucleation precursors