Molecular dynamics simulation of heat transfer during liquid hydrogen boiling on surfaces at the nanoscale

Liquid hydrogen, known for its high energy density and eco-friendly properties, has garnered significant attention in the context of sustainable development and clean energy. A comprehensive understanding of its nucleation mechanisms and boiling heat transfer characteristics is crucial. However, current experimental and macroscopic simulation methods offer limited insights. This study employs molecular dynamics simulations to investigate the vaporization nucleation and boiling heat transfer properties of liquid hydrogen at the microscopic scale, with a focus on the effects of hydrogen film thickness, surface temperature, and wettability. The results indicate that hydrogen film thickness plays a critical role in nucleation. Thinner layers disrupt the shape of liquid films, leading to increased errors, whereas a thickness of 7 nm ensures film stability. Different heating methods and temperatures influence nucleation in various ways. Rapid heating results in a higher heat flux, while an increase in temperature under the same heating method accelerates nucleation, resulting in earlier nucleation and enhanced surface heat flow. Surfaces with varying wettability levels exhibit distinct nucleation behaviors. Specifically, an increase in α delays nucleation, causing a shift from the surface to within the liquid film due to stronger solid–liquid interaction forces. This study offers a microscale perspective on the nucleation and boiling processes of liquid hydrogen and provides valuable insights for phase transition studies. © The Author(s), under exclusive licence to China Science Publishing & Media Ltd. (Science Press), Shanghai Institute of Applied Physics, the Chinese Academy of Sciences, Chinese Nuclear Society 2025.