Molecular dynamics (MD) simulation of an electrowetted nanodroplet is performed to understand the fundamental origin of the involved parameters resulted from the molecular movement in the vicinity of the three-phase contact line (TPCL). During the spreading of the droplet, contact line friction (CLF) force is found to be the controlling one among all other resistive forces. Being molecular in nature, MD study is required to unveil the CLF, which is manifested by the TPCL friction coefficient ζ. The combined effect of temperature, electric field, and surface wettability, manifested by the solid–liquid Lennard-Jones interaction parameter, is studied to explore the droplet spreading. The entire droplet wetting dynamics is divided into two different regimes, namely, spreading regime and equilibrium regime. The molecular frequency during the TPCL movement in the equilibrium regime is affected by the presence of any external perturbation and results in an alteration of ζ. The predetermined knowledge of the alteration of CLF due to the coupling effect of electric field and temperature will have a potential application towards designing electric field-inspired droplet movement devices.
It is well known that the wettability of a droplet on a solid substrate can be modified by the application of an electric field. The phenomenon of electrowetting along with the associated physics of droplet shape change and dynamics has traditionally been studied at the micro-scale leading to exciting applications. The present work is undertaken to explore the physics of electrowetting actuation of droplet movement at the molecular level. Molecular simulations are performed to obtain the dynamic spreading of the droplet under the action of a radially symmetric electric field on a silica substrate. The dynamic behavior of the contact diameter is found to be qualitatively similar to that observed at the laboratory scale. Further simulations of droplet actuation across an array of electrodes illustrated the dynamics of the center of mass, which is then used to estimate the contact line friction and compared with the predictions from a reduced-order model. A scaling analysis is used to probe the physics of the problem correlating the contact line friction coefficient and the droplet velocity after actuation. The results and understanding elicited from the fundamental approach have the potential to guide the development of quick and precise control of nano-sized droplets and may prove to be pivotal in the development of future nanofluidic systems, nanomanufacturing methodologies, and high-resolution optoelectronic devices.
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