Molecular Dynamics Study on the Combined Effects of the Nanostructure and Wettability of Solid Surfaces on Bubble Nucleation

In this paper, molecular dynamics (MD) simulations are conducted to investigate the bubble nucleation process of liquid argon on surfaces with a nanostructure of different wettabilities. To account for the combined effects of the nanostructure and surface wettability on bubble nucleation, the variation of the bubble volume, the nucleation starting time, as well as the heat flux between the solid surface and fluid are examined. It is found that the position of bubble nucleation depends on the pillar wettability. Bubble nucleation occurs in the bulk of fluid when the pillar is hydrophilic, while it occurs on the pillar surface when the pillar is hydrophobic. Under an integrated influence of the free-energy barrier of nucleation and heat transfer, the nucleation occurs later as the wettability of the pillar gets weaker over surfaces with the hydrophilic pillar, while it occurs earlier as the wettability of the pillar gets weaker over surfaces with the hydrophobic pillar. Moreover, the peak heat flux decreases with the decrease of the pillar wettability over surfaces with the hydrophilic pillar, while it increases with the decrease of the pillar wettability over surfaces with the hydrophobic pillar, which can be explained from the perspective of the heat transfer efficiency and the timing of phase change occurrence. Finally, a new surface with mixed-wettable pillars is proposed, which is verified to be conducive to both bubble nucleation and heat transfer.