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Implement disorder parameter #1250

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Photonsneverrest opened this issue May 17, 2024 · 1 comment
Open

Implement disorder parameter #1250

Photonsneverrest opened this issue May 17, 2024 · 1 comment
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@Photonsneverrest
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Description

I'm using freud Steinhardt to calculate the disorder parameter as defined by Kawasaki and Onuki (2011) https://doi.org/10.1063/1.3656762. A direct implementation in freud would be nice.

Motivation and Context

The networks I am working with are experimental ones and hence have a degree of disorder of e.g. the node locations compared to a perfect crystal. Moreover there can be differences in the number of neighbors and bond and dihedral angles. The disorder parameter would provide a quantification for the variances of bond orientational order between neighbors.

@Photonsneverrest Photonsneverrest added the task A task to be completed. label May 17, 2024
@tommy-waltmann
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Hi @Photonsneverrest ,

This order parameter seems to give good results for the systems in the paper, however I wonder if there is a simpler way to detect disorder. How is this more useful than using, say, $D = 1 - Q_6$ as a disorder parameter?

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