Computational modeling of nanodroplet evaporation for scalable micro-/nano-manufacturing

This article focuses on the Molecular Dynamics (MD) modeling and simulation of a droplet-based scalable micro-/nano-manufacturing process. In order to aid precise control of the nanodroplet deposition on substrates, it is important to study its evaporation dynamics. Water and acetone are used as candidate fluids for the simulation based on the differences in their densities and volatilities. The MD simulations describe the effects of ambient conditions and fluid properties on the vaporization of the nanodroplets. Physical drop size reductions, volume slices at the cross section, and root mean square deviations are evaluated for different time scales and temperature ranges. The MD results show different evaporation rates and varied molecular dispersion patterns outside the droplet core region. These results are validated using standard molecular density values and a theoretical evaporation model for the respective fluids at given ambient conditions. This research provides a systematic understanding of droplet evaporation for predicting size variations in the nanoscale regime. These results are applicable to a direct-write droplet-based approach for depositing different nanopatterns on substrates.