Effects of confinement geometry on shape transition and interfacial behavior of nanodroplets in externally applied electric field.

The electric field-induced shape transition of a nanodroplet confined in a silicon nanogroove with variable structure was investigated through molecular dynamics simulations. Our work provides insight into the relationship between the shape transition and the molecular interaction. We demonstrated that the geometric structure of the groove significantly influences the responsive behaviors of the droplet to the electric field. The simulations elucidate increasing the tilt angle of the groove reduces the critical field strength for the shape transition of the droplet under parallel electric field. Above the critical field, the droplet detaches from the groove and forms a liquid bridge across the groove, leading to weakened interfacial interactions. The detachment process of the droplet from the rectangular groove, which originates from the spreading of water molecules on perpendicular side walls, is different from the droplet initially confined in the groove with tilt angle higher than 90°. Under the perpendicular electric field, the droplet undergoes various shape transitions depending on the groove structure. In particular, the droplet in the groove with a moderate opening forms two asymmetrical liquid columns. The retraction behavior of the droplet in the groove with the small opening sheds light on the competition between interfacial interactions. The shape transition of droplets in the electric field due to the change of confinement nanostructures, such as liquid bridge, asymmetrical extension, branching and merging, is helpful to enrich the understanding of electrowetting and confinement dynamics of the droplets. [Display omitted] • A liquid bridge forms across the groove above critical parallel electric field. • The droplet in rectangular groove undergoes asymmetrical detachment process. • Geometric confinement influences orientational polarization of water molecules. • The droplet shows branching and merging shape under perpendicular electric field. [ABSTRACT FROM AUTHOR]