Author Topic: Displacement vectors and corresponding angle of rotation  (Read 14 times)

avik

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Displacement vectors and corresponding angle of rotation
« on: December 07, 2018, 02:08:09 PM »
I was going through one publication, Atomic-Level Processes of Shear Band Nucleation in Metallic Glasses, PRL119,195503 (2017), Dr. Stukowski is also one of the coauthor. In Fig. 2 a) Representative vortex described by the displacement vectors and (b) displacement vectors and corresponding angle of rotation is shown. The displacements vectors are inbuilt and possible to get, but how did the calculation of "corresponding angle of rotation" was done (From the figures, I am assumed all of it was done in OVITO).

Alexander Stukowski

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Re: Displacement vectors and corresponding angle of rotation
« Reply #1 on: December 07, 2018, 03:13:57 PM »
Dear avik,

The atomic angle of rotation is calculated from the atomic deformation gradient, which in turn is the key quantity calculated by the Atomic Strain modifier function in Ovito. This modifier provides the Output rotations option, which activates the calculation of the microrotation angle for each atom. Please see the current documentation for more info:

http://ovito.org/manual_testing/particles.modifiers.atomic_strain.html

-Alex