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Messages - tuy15

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Hello Constanze,

Attached is the atom coordinates in lammps trajectory format. When I use CNA to identify the structure, the surface atoms are always identified as "unknown" since they don't have as many neighbors. This might make it difficult to identify the boundaries, since they are on the surface of crystals.  Thanks again for your help!

Best,
Tina

2
Hello Constanze,

Thanks for your reply! Attached is the crystal structure, which is nearly a perfect icosahedron(ovito CNA analysis suggests that it contains FCC and HCP structure). I think the edges shared by two neighboring triangle facets should be the "boundaries" I mentioned. Thanks again for your help!


Best,
Tina

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Support Forum / Use CNA or DXA to identify twin boundaries in a luster?
« on: January 28, 2019, 09:04:16 PM »
Dear OVITO team and users,

I am using OVITO to identify the twin boundaries in a cluster(e.g. an icosahedron cluster I attached)? I tried common neighbor analysis(CNA) and Dislocation analysis (DXA) tools, but neither of them works. The output is just the structure type labeled in different colors.

Should I expect result show me clear boundaries, like the one from your manual? 
(The attached picture found from https://ovito.org/manual/particles.modifiers.dislocation_analysis.html)

I am not sure if I missed any steps. I would appreciate if anyone could share the experience.


Best regards and thanks,
Tina

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