Surface Topography Effects on Pool Boiling via Non-equilibrium Molecular Dynamics Simulations

In this work, we investigate nucleate pool boiling via non-equilibrium molecular dynamics simulations. The effect of nano-structured surface topography on nucleation and transition to a film-like boiling regime is studied at the molecular scale, by varying the cavity aspect ratio, wall superheat, and wettability through a systematic parametric analysis conducted on a Lennard-Jones (LJ) system. The interplay of the aforementioned factors is rationalized by means of a classical nucleation theory-based model. The solid surface is heated uniformly from the bottom in order to induce the nanobubble nucleation. Insight into the cavity behavior in heat transfer problems is achieved by looking at temperature and heat flux profiles inside the cavity itself, as well as at the time of nucleation, for different operating conditions. The role of the cavity size in controlling the vapor embryo formation is highlighted, and its dependence on the other investigated parameters is summarized in a phase diagram. Our results show that heterogeneity at the nanoscale plays a key role in determining pool boiling heat transfer performance, suggesting a promising approach to optimize nanostructured surfaces for energy and thermal management applications.