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MM: Fachverband Metall- und Materialphysik

MM 6: Interfaces II

MM 6.5: Vortrag

Montag, 26. März 2007, 12:45–13:00, H6

Simulations of grain coarsening considering complex energy dependences — •Yingxiao Ma, Volker Mohles, Luis Antonio Barrales-Mora, and Günter Gottstein — Institut für Metallkunde und Metallphysik, RWTH Aachen, 52056 Aachen

The energy of grain boundaries in metals depends on their geometrical parameters (misorientation and inclination) in a complex manner. A function is proposed which allows to describe this energy dependence in a rather convenient way for engineering purposes. It is based on the idea of special large angle boundaries (sigma boundaries) being superimposed with small angle boundaries, in order to describe general boundaries. The energy of the small angle part is derived from dislocation theory, whereas the high angle part may be derived from atomistic simulations. Applying this energy function, the 2D vertex dynamics model is used to simulate grain growth in Aluminium. Microstructure evolution, grain growth kinetics, the von Neumann-Mullins relation and the distributions of grain size and misorientation in 2D polycrystals have been examined. The sensitivity of the results on the initial conditions (experimental/random orientations) and on the details of the energy function is determined.