MICRESS Forum

Dear Bernd,

On this occasion, I am looking at the implementation of the 'misorientation' functions which account for the reduction of the interfacial energy (Read-Shockley) and mobility (Humphreys) as function of the misorientation angle between grains. May I ask you about how the misorientation between multiple grains is defined since apart from specifying parameters for the solid/solid interactions ('phase interaction data' section), no further input is requested? As an instance, when multiple predefined gamma seeds are positioned within the simulation domain? I am specifically looking at the solute redistribution when LAGB and/or HAGB are formed during solidification.

Best regards,

Mauro

Dear Mauro,

Misorientations are calculated on basis of the individual grain orientations. In the MICRESS input file, you can define grain orientations in different ways (quaternions, Euler angles, etc.), the simplest way is just by one angle in 2D ("angle_2D"). The misorientation is the smallest "difference" of the orientations, which in case of "angle_2D" is simply the difference of the values (taking into account lattice symmetry of the phases and the unity 0°=360°). This is not trivial for 3D-orientations, especially if different lattice symmetries are combined. Internally, the calculation is done in quaternions always. Is it the exact formula for that which you are looking for?

Bernd