Deviation angle between misorientation and ideal CSL boundary

[Marcel Wicke]

Dear all,

I am trying to calculate the devation angle between the misorientation and an ideal CSL boundary.

The misorienation angle between two grain is calculated as follows:

ori1 = gGrain1.meanOrientation;
ori2 = gGrain2.meanOrientation;

mori = inv(ori1) * ori2
mori.axis
mori.angle/degree

Now I'd like to determine the deviation of the misorientation from an ideal CSL boundary, such that I can say GBx has misorientation of Y° around [axis1 axis2 axis3], which is Z° deviated from the ideal Σ3 boundary for example.

What I tried is the following

mCSL = mori * inv(CSL(3,CS))
mCSL.angle/degree


However, the results is not as expected. According to my plot of the CSL boundaries, the grain boundary should be a CSL boundary of Σ3, but the calculated angle is about 40° and hence not within the Brandon criterion.

Can anyone tell me where is my mistake or how I can calculate the deviation angle?

Thanks in advance,

Marcel

[Ralf Hielscher]

Hi Marcel,

you should compute the angle by

angle(mori,CSL(3,CS))

Ralf.