Author Topic: Inquiry about a suitable ATOMIC structure analysis in 2D  (Read 133 times)

bahmanpbamp

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Inquiry about a suitable ATOMIC structure analysis in 2D
« on: June 26, 2018, 03:57:08 PM »
Dear experts,

I am looking for a method to analysis the structure of crystals in  2 dimensional . However, it seems that almost all of the atomic structure analysis modifiers are not active for 2 dimensional MD.

Yours,
Bahman


Alexander Stukowski

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Re: Inquiry about a suitable ATOMIC structure analysis in 2D
« Reply #1 on: June 27, 2018, 05:45:42 PM »
Dear Bahman,

This is true. OVITO has structure identification methods mostly for three-dimensional crystalline structures.

I am curious: What types of 2d structures would you like to analyse?

-Alex

bahmanpbamp

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Re: Inquiry about a suitable ATOMIC structure analysis in 2D
« Reply #2 on: June 28, 2018, 10:11:02 AM »
Dear Alex,

Thank you very much for your email. Actually, I have a 2 dimensional 111 fcc plane. I am performing sever plastic deformation on this plane and I am looking to use a method to better show crystal modifications inside this plane.

Best regards,
Bahman

Alexander Stukowski

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Re: Inquiry about a suitable ATOMIC structure analysis in 2D
« Reply #3 on: June 28, 2018, 10:19:56 AM »
The Centrosymmety modifier of Ovito -in conjunction with a Color coding modifier- may help you visualise defects in the sheet. Set the number of neighbors parameter to 6.

http://ovito.org/manual/particles.modifiers.centrosymmetry.html

bahmanpbamp

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Re: Inquiry about a suitable ATOMIC structure analysis in 2D
« Reply #4 on: June 28, 2018, 11:09:48 AM »
Thank you very much for your helpful comment!