Static and dynamic properties of curved vapour-liquid interfaces by massively parallel molecular dynamics simulation
Abstract
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.
Cite
@article{arxiv.1110.4466,
title = {Static and dynamic properties of curved vapour-liquid interfaces by massively parallel molecular dynamics simulation},
author = {Martin T. Horsch and Svetlana K. Miroshnichenko and Jadran Vrabec and Colin W. Glass and Christoph Niethammer and Martin F. Bernreuther and Erich A. Müller and George Jackson},
journal= {arXiv preprint arXiv:1110.4466},
year = {2011}
}
Comments
To appear in Proceedings of the >>Competence in High Performance Computing<< Meeting (CiHPC), Schwetzingen Castle