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M: Metallphysik

M 32: Poster TU B (Symposium Tomographic Methods in Materials Research M-32.32-55)

M 32.22: Poster

Montag, 7. März 2005, 14:30–16:30, Poster TU B

Homogenous nucleation in supersaturated iron vapour, a molecular dynamics study — •Norbert Lümmen and Thomas Kraska — Universität zu Köln, Institut für Physikalische Chemie, Luxemburger Str. 116, D-50939 Köln

The nucleation rate is an important input parameter for the modelling of particle processes by continuum models such as population balances. With increasing nucleation rate more nuclei are formed in a given time range. The remaining atoms in the vapour phase are distributed over these particles over the course of the surface growth process. As result one obtains primary particles which are smaller than in case of a lower nucleation rate.

The experimental investigation of the nucleation at extreme conditions such as high temperature or high pressure is often difficult. In this work we show how molecular dynamics simulations can be employed for the investigation of the homogeneous nucleation and the calculation of nucleation rates for such systems. It is also shown how the obtained nucleation rate can be compared with available experimental data.