Microscopic insights on liquid–vapor phase change phenomena of R1336mzz(Z) nanofilm through molecular dynamics simulations

The ever-growing advances in electronics pose a critical cooling challenge. Two-phase heat transfer technology, with effective heat removal and no extra energy consumption, is emerging as a potential solution for sustainable thermal management. However, questions regarding phase change mechanisms are seemingly not addressed yet due to the limitation in time and space scales. In this work, a series of molecular dynamics simulations are performed where the R1336mzz(Z) liquid film rests over a smooth copper substrate. The molecular system starts with a nanofilm thickness of 4–10 nm and then is subjected to non-equilibrium heating (350, 400, 450, and 500 K) to initiate liquid-to-vapor phase change. Depending on the impacts of film thickness and wall temperature, four distinctive phase change scenarios are identified, i.e., diffusive evaporation, pseudo-diffusive evaporation, explosive boiling, and stable explosive boiling. The characteristics of these phase change modes are explicated from the perspectives of molecular motion, vaporization rate, temperature evolution, heat flux, and interfacial resistance. The phase change mode has a strong dependence on two aspects: improving heat transfer to breakup potential barrier and slowing energy dissipation to support formation of bubble embryos. The insight may deliver better understandings of phase change mechanism and applications of liquid refrigerants.