Physics – Computational Physics
Scientific paper
2011-10-20
Physics
Computational Physics
To appear in Proceedings of the >>Competence in High Performance Computing<< Meeting (CiHPC), Schwetzingen Castle
Scientific paper
Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted for cylindrical menisci separating vapour and liquid phases under confinement in planar nanopores. Regarding the emergence of nanodroplets during nucleation, a non-equilibrium phenomenon, both the non-steady dynamics of condensation processes and stationary quantities related to supersaturated vapours are considered. Results for the truncated and shifted Lennard-Jones fluid and for mixtures of quadrupolar fluids confirm the applicability of the capillarity approximation and the classical nucleation theory.
Bernreuther Martin F.
Glass Colin W.
Horsch Martin T.
Jackson George
Miroshnichenko Svetlana K.
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