Molecular dynamics simulation of nanodroplet evaporation

Jens Honore Walther, P. Koumoutsakos

Research output: Contribution to journalJournal articleResearchpeer-review


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.
Keyword: Nanofluidics,Molecular Dynamics Simulation,Nanodroplet
Original languageEnglish
JournalJournal of Heat Transfer
Pages (from-to)741-748
Publication statusPublished - 2001
Externally publishedYes

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