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Paper detail

Effective potentials between gold nano crystals -- functional dependence on the temperature

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.

preprint2014arXivOpen access
G. BauerA. LangeN. GribovaC. HolmJ. Groß
cond-mat.soft
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G. BauerA. LangeN. GribovaC. HolmJ. Groß

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