Regensburg 2013 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 15: Poster Session
MM 15.51: Poster
Monday, March 11, 2013, 18:00–20:00, Poster E
Molecular Dynamics Simulations on the Coherency of Cu Nano Precipitates in BCC Fe — •David Molnar1,2, Fabian Maier1, Peter Binkele1, and Siegfried Schmauder1,2 — 1Institute for Materials Testing, Materials Science and Strength of Materials (IMWF), University of Stuttgart — 2Stuttgart Research Center of Simulation Technology (SRC SimTech), SimTech Cluster of Excellence, University of Stuttgart
The mechanical behaviour of steels is strongly related to their underlying atomistic structures which evolve during processing or thermal treatment and during their life cycles. In copper-alloyed α-iron, precipitates form within the iron matrix, especially when operated at higher temperatures of above 300∘C, yielding a change of the material’s mechanical properties. During growth, the approximately spherical precipitates perform a structural transition from bcc to fcc, thus increasing the incoherency between bcc matrix and precipitate. The detailed analysis of this transition on the atomistic length scale by means of Molecular Dynamics simulations is crucial with respect to sequential multiscale coupling with Phase Field Methods and Dislocation Dynamics which are able to simulate particle growth, particle coarsening and the interaction of dislocations with large obstacle fields, respectively. Structural transitions are found to nucleate in the precipitate’s centre while the surface is still forced to remain bcc. We will investigate the structural transition of Cu precipitates and the effect on residual stresses and obstacle strength.