LAUSR

A numerical technique is presented that enables mass exchange at the liquid-solid interface region in a molecular simulation. Particles can be inserted and deleted in the solid region where interaction between the fluid and solid atoms is temporarily inactivated during the process. A simple momentum-increase scheme drives the inserted particles against the unfavorable free energy. The technique is efficient and stable for insertion of particles into dense and inhomogeneous regions. The thin film and sessile-drop evaporation phenomena are then investigated using the proposed technique that allows steady-state simulations. The evaporation coefficients for the nanoscale thin film and contact line were accurately and reliably measured. The evaporation coefficient near the contact line shows a discrepancy compared to that far from the contact line.