Microscopic mechanism of effects of nanostructure morphology on bubble nucleation: A molecular dynamics simulation

In this study, the effect of nanostructure morphology on bubble nucleation of liquid argon on a platinum solid surface was explored using molecular dynamics methods. We examined the differences in nucleation behavior on smooth and nanostructured surfaces, including trapezoidal, rectangular, and reentrant cavities. The simulation results demonstrated that nanostructured surfaces outperformed smooth surfaces in terms of bubble nucleation, and the corresponding morphology had a significant effect. The reentrant cavity had the shortest bubble initial nucleation time, followed by the rectangular cavity, and the trapezoidal cavity had the longest bubble initial nucleation time. The mechanism of bubble nucleation on solid surfaces was further investigated from two perspectives: heat transfer through the solid-liquid interface and the potential energy constraint. Compared with other surfaces, surfaces with reentrant cavities exhibited a significantly higher heat transfer efficiency. The liquid atoms on the nanostructured surfaces absorb a large amount of heat within a short time, resulting in rapid accumulation of heat in the cavity. The thermal motions of the liquid atoms are enhanced, and the potential energy constraints from the surrounding atoms are overcome to achieve rapid bubble nucleation. Thus, the nanostructures promote bubble nucleation in the heated liquid. Our results provide novel insights into the design of nanostructures to improve the boiling heat transfer performance.