Droplets under gradients of temperature and velocity by atomistic simulation (B06*)

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Evaporation processes are studied with molecular dynamics simulation methods on the basis of atomistic interaction force field models. Thereby, also thermodynamic properties, such as mutual diffusion coefficients, are considered. By carrying out systematic simulation studies, all relevant physical properties are sampled, also considering states in the extended critical region, transient processes as well as the influence of the interface topology. One goal is the development of a phenomenological model for evaporation. The present results will be compared to work that is operating on other scales (DFT, CFD and experiment).