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Can Ovito calculate the two-dimensional projection of the structure factor?

Dear Constanze,

Dear ai
I would like to calculate the 2-D projection of the structure factor (see Reference [1]) and then get a graph of "S(kx, ky)-projections" similar to that in Fig.3 or Fig.4.
Can OVITO be calculated based on "spatial correlation function"?
Thank you so much!

Rui Zhao

[1] B.N. Galimzyanov, Structure and morphology of crystalline nuclei arising in a crystallizing liquid metallic film. Acta Materialia, 2019.(https://doi.org/10.1016/j.actamat.2019.03.009)

 

 

Dear Rui,

There's no out-of-the box solution to perform this analysis in OVITO, but we would be happy to help developing a solution if your lab becomes an official licensee of OVITO Pro.

All the best.

Dear Constanze,

Thank you for your reply!
One more question: How to get partial structure functions such as S(qx) through "Spatial Correlation Function"?
Thank you so much!

Rui Zhao

Dear Rui

The Spatial Correlation Function modifier only gives you the radial average. As I said, this would require a custom solution.

 

Dear Constanze,

Thank you for your reply!

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