%0 Journal Article
%T Effective potentials between gold nano crystals -- functional dependence on the temperature
%A G. Bauer
%A A. Lange
%A N. Gribova
%A C. Holm
%A J. Gro£¿
%J Physics
%D 2014
%I arXiv
%R 10.1080/08927022.2014.951521
%X A method is presented that allows to combine the effective potential between two nano crystals, the potential of mean force (PMF), as obtained from all-atomistic Molecular Dynamics simulations with perturbation theory. In this way, a functional dependence of the PMF on temperature is derived, that enables the prediction of the PMF in a wide temperature range. We applied the method for systems of capped gold nano crystals of different size. They show very good agreement with data from atomistic simulations.
%U http://arxiv.org/abs/1403.5950v1