Regensburg 2004 – scientific programme

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M: Metallphysik

M 21: Nanoskalige Materialien II

M 21.5: Talk

Wednesday, March 10, 2004, 17:30–17:45, H4

Investigation of the formation of iron nano-particles from the gas phase by molecular dynamics simulation — •Norbert Lümmen and Thomas Kraska — Universität Köln, Institut für Physikalische Chemie, Luxemburger Straße 116, D-50939 Köln

The formation of iron nano-particles from the supersaturated gas phase in an argon heat bath is investigated by molecular dynamics simulation. The atomic interaction is modelled with a recent parameterisation of the embedded atom method which is able to describe the bcc phase of bulk iron.

The influence of the state conditions such as temperature and density on the growth mechanism of the iron particles is analysed. The morphology and structural changes of the iron clusters in course of the growth process are traced by their surface fraction and with the common neighbour analysis.