The stability and growth or dissolution of a single surface nanobubble on a chemically patterned surface are studied by molecular dynamics simulations of binary mixtures consisting of Lennard-Jones (LJ) particles. Our simulations reveal how pinning of the three-phase contact line on the surface can lead to the stability of the surface nanobubble, provided that the concentration of the dissolved gas is oversaturated. We have performed equilibrium simulations of surface nanobubbles at different gas oversaturation levels ζ > 0. The equilibrium contact angle θ is found to follow the theoretical result of Lohse and Zhang (Phys. Rev. E 2015, 91, 031003(R)), namely, sin θ = ζL/L, where L is the pinned length of the footprint and L = 4γ/P is a capillary length scale, where γ is the surface tension and P is the ambient pressure. For undersaturation ζ < 0 the surface nanobubble dissolves and the dissolution dynamics shows a "stick-jump" behavior of the three-phase contact line.

The stability of two neighboring surface nanobubbles on a chemically heterogeneous surface is studied by molecular dynamics (MD) simulations of binary mixtures consisting of Lennard-Jones (LJ) particles. A diffusion equation-based stability analysis suggests that two nanobubbles sitting next to each other remain stable, provided the contact line is pinned, and that their radii of curvature are equal. However, many experimental observations seem to suggest some long-term kind of ripening or shrinking of the surface nanobubbles. In our MD simulations we find that the growth/dissolution of the nanobubbles can occur due to the transfer of gas particles from one nanobubble to another along the solid substrate. That is, if the interaction between the gas and the solid is strong enough, the solid–liquid interface can allow for the existence of a “tunnel” which connects the liquid–gas interfaces of the two nanobubbles to destabilize the system. The crucial role of the gas–solid interaction energy is a nanoscopic element that hitherto has not been considered in any macroscopic theory of surface nanobubbles and may help to explain experimental observations of the long-term ripening.

We study the formation of a nanobubble around a heated nanoparticle in a bulk liquid by using molecular dynamics simulations. The nanoparticle is kept at a temperature above the critical temperature of the surrounding liquid, leading to the formation of a vapor nanobubble attached to it. First, we study the role of both the temperature of the bulk liquid far away from the nanoparticle surface and the temperature of the nanoparticle itself on the formation of a stable vapor nanobubble. We determine the exact conditions under which it can be formed and compare this with the conditions that follow from a macroscopic heat balance argument. Next, we demonstrate the role of dissolved gas on the conditions required for nucleation of a nanobubble and on its growth dynamics. We find that beyond a certain threshold concentration, the dissolved gas dramatically facilitates vapor bubble nucleation due to the formation of gaseous weak spots in the surrounding liquid.

We study the nucleation and growth of a nanobubble on rough surfaces using molecular dynamics simulations. A nanobubble nucleates and grows by virtue of a heterogeneous surface reaction which results in the production of gas molecules near the surface. We study the role of surface roughness in the nucleation and growth behavior of a nanobubble. We perform simulations at various reaction rates and surface morphology and quantified the growth dynamics of a nanobubble. Our simulations show that after the onset of nucleation, the nanobubble grows rapidly with radius following t 1/3 behavior followed by a diffusive growth regime which is marked by t 1/2 growth behavior. This growth behavior remains independent of surface roughness and reaction rates over the range considered in this study. We also quantified the oversaturation of gas required for nucleation of a nanobubble and demonstrated its dependence on the surface morphology.

Surface nanodroplets are important units for lab-on-a-chip devices, compartmentalised catalytic reactions, high-resolution near-field imaging, and many others. Solvent exchange is a simple solution-based bottom-up approach for producing surface nanodroplets by displacing a good solvent of the droplet liquid by a poor one in a narrow channel in the laminar regime. The droplet size is controlled by the solution composition and the flow conditions during the solvent exchange. In this paper, we investigated the effects of local microfluidic structures on the formation of surface nanodroplets. The microstructures consist of a microgap with a well-defined geometry, embedded on the opposite microchannel wall, facing the substrate where nucleation takes place. For a given channel height, the dimensionless control parameters were the Peclet number of the flow, the ratio between the gap height and the channel height, and the aspect ratio between the gap length and the channel height. We found and explained three prominent features in the surface nanodroplet distribution at the surface opposite to the microgap: (i) enhanced volume of the droplets; (ii) asymmetry as compared to the location of the gap in the spatial droplet distribution with increasing Pe; (iii) reduced exponent of the effective scaling law of the droplet size with Pe. The droplet size also varied with the aspect and height ratios of the microgap at a given Pe value. Our simulations of the profile of oversaturation in the channel reveal that the droplet size distribution may be attributed to the local flow patterns induced by the gap. Finally, in a tapered microchannel, a gradient of surface nanodroplet size was obtained. Our work shows the potential for controlling nanodroplet size and spatial organization on a homogeneous surface in a bottom-up approach by simple microfluidic structures.