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3-D phase field simulations of grain growth in polycrystalline films

Nele Moelans ,  Bart Blanpain ,  Patrick Wollants 

K. U. Leuven, Department of Materials Science and Engineering (KUL, MTM), Kasteelpark Arenberg 44, Leuven 3001, Belgium

Abstract

Grain size, grain size distribution and grain orientation in polycrystalline films strongly influence their strength, electronic properties and durability. The rate of failure due to electromigration is, for instance, strongly correlated with grain size and grain size distribution.

Once the grain size is larger than the thickness of the film, grains become columnar with their grain boundaries parallel to the plane of the film. As a result, polycrystalline films show many features that are typical for 2-dimensional grain growth. However, surface energy, which is extremely important in thin films, introduces 3-dimensional aspects in the grain growth behaviour. Grooves are formed at the triple lines where grain boundaries meet the surface to balance surface energies and grain boundary energy. It has experimentally been observed that these grooves pin grain boundaries and can stop normal grain growth. Furthermore, the surface energy of the grains may depend on their orientation. The favourably oriented grains often have a high driving force for growth and break free from the pinning force of the grooves. This mechanism may provide the necessary additional driving force for abnormal grain growth (= secondary recrystallization).

A phase field model for grain growth that takes account of the surface energy of the grains is presented and simulation results are discussed.
 

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Presentation: Oral at E-MRS Fall Meeting 2006, Symposium H, by Nele Moelans
See On-line Journal of E-MRS Fall Meeting 2006

Submitted: 2006-05-13 21:05
Revised:   2009-06-07 00:44