Molecular dynamics simulations are used to study the sub-critical evaporation of a nanometer-size droplet at 300 K and 3 MPa. Classical molecular dynamics techniques are combined with an adaptive tree data structure for the construction of the neighbor lists, allowing efficient simulations using hundreds of thousands of molecules. We present a systematic convergence study of the method demonstrating its convergence for heat conduction problems in submicron scales. These high resolution simulations compute values of the evaporation coefficient that are in excellent agreement with theoretical predictions.

Issue Section:
Microscale Heat Transfer
Keywords:
Nanofluidics, Nanodroplet, Molecular Dynamics Simulation, drops, molecular dynamics method, digital simulation, evaporation, heat conduction, convergence of numerical methods
Topics:
Atoms, Drops, Evaporation, Molecular dynamics simulation, Heating, Density, Vapors
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