Coupled phase-field and phase-field crystal studies to bridge the atomic to micro-scale in heterogenous nucleation

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The main goal of this project remains unaltered, i.e. it aims to contribute to a more comprehensive understanding of the kinetics of heterogeneous nucleation and successive initial microstructure evolution as they are determined jointly by mechanisms at the atomic scale and long range contributions, as well as the question, to what extend the mechanisms that can be identified in colloids truly carry over to metallic alloy systems. To that end a coupled phase-field crystal – phase-field model has been started to be and will be continued to be developed to investigate these issues. Whereas in the second phase of the priority program the focus was on the technical development and exploration of different model contributions, in this next phase of the priority program we will exploit our developments so far and investigate in particular the relation between the system’s driving force, the nucleation rate, the mismatch between the heterogeneously nucleating phases (respectively a wall) and related contact angles further in close cooperation with further theoretical and experimental groups. The latter interaction will help to us identify – via switching off and on terms modelling specific assumed underlying mechanisms – those mechanisms in detail.