Molecular dynamics (MD) simulations were carried out in this study to investigate the effect of solid–gas binding strength and surface coverage on the interfacial thermal conductance and thermal accommodation coefficient of evaporating liquid films. Simple Lennard–Jones fluids were simulated in a cubic domain, which consisted of an upper platinum wall and a lower platinum wall, with argon fluid in between. Both the equilibrium molecular dynamics (EMD) and the non-equilibrium molecular dynamics (NEMD) simulated the evaporation and condensation of the liquid films properly.
- molecular dynamics
- computer modelling
- thermal conductance
Peng, B., He, W., Hao, X., Chen, Y., & Liu, Y. (2014). Interfacial thermal conductance and thermal accommodation coefficient of evaporating thin liquid films: a molecular dynamics study. Computational Materials Science, 87, 260–266. https://doi.org/10.1016/j.commatsci.2014.02.034