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M: Metallphysik

M 24: Nanoskalige Materialien III

M 24.4: Vortrag

Samstag, 5. März 2005, 15:30–15:45, TU H111

Molecular dynamics investigation of the coalescence of iron nanoparticles — •Norbert Lümmen and Thomas Kraska — Universität zu Köln, Institut für Physikalische Chemie, Luxemburger Str. 116, D-50939 Köln

Coalescence is an important process over the course of the formation of nanoparticles. It significantly influences the properties of the resulting particles. In this work we have investigated the coalescence of iron nanoparticles in the gas phase. Argon has been added in order to reproduce the experimental situation in an inert gas aggregation source (IGA). The heat generated during the coalescence is removed from the system via the inert gas atoms. For the calculation of the interaction between the iron atoms a further development of the embedded atom method for iron taken from the literature has been employed.

The investigation shows that the coalescence of structured clusters evolves via three steps. Each of these steps happens on a different time scale and at different degree of heat exchange with the inert gas. So far such investigations have been performed without an inert gas and therefore the cooling down of the particles during the coalescence has been omitted.