Author Topic: How to detect atoms lie in a perticular plane with specific direction  (Read 1066 times)

akhoursh

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Dear OVITO users,
Hi,

I have a hexagonal structure with x in [ 2 -1 -1 0 ] y in [ 0 1 -1 0 ] and z in [ 0 0 0 1 ]. I want to color code those atoms that lie in {1 0 -1 0 } [ 1 -2 1 0 ]. Is it possible using OVITO ?
Thanks in advance,
Ali

Alexander Stukowski

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Re: How to detect atoms lie in a perticular plane with specific direction
« Reply #1 on: October 25, 2018, 02:54:17 AM »
Dear Ali,

You specified the crystal orientation and a slip system. Can you please clarify what the atomic parameter is according to which you would like to color the atoms?

-Alex

akhoursh

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Re: How to detect atoms lie in a perticular plane with specific direction
« Reply #2 on: October 25, 2018, 06:40:54 PM »
Hi Alex,

Actually the color coding should be based on the position. I mean for example those atoms that are in that particular plane become red while other are gray for example.
Thanks,
Ali

Alexander Stukowski

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Re: How to detect atoms lie in a perticular plane with specific direction
« Reply #3 on: October 26, 2018, 07:17:21 AM »
Then how about using the Slice modifier to select atoms within a plane? This modifier lets you specify the width of the slab of atoms that should be selected. Furthermore, you need to specify the normal vector of the selection plane (in spatial coordinates though, not in crystal lattice coordinates). Subsequently, you can apply the Assign Color modifier to give all atoms selected by the Slice modifier a new color of your choice.

akhoursh

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Re: How to detect atoms lie in a perticular plane with specific direction
« Reply #4 on: October 29, 2018, 07:09:12 PM »
Hi Alex,

Thank you very much for the response. But, the slice option is based on Miller indices to the best of my knowledge. My question was about hexagonal system which we use Miler-Bravais indices.
Regards,
Ali

Constanze Kalcher

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Re: How to detect atoms lie in a perticular plane with specific direction
« Reply #5 on: October 30, 2018, 11:00:08 AM »
Hi Ali,

as explained above, the Slice modifier doesn't know about your crystal orientation, it uses spatial coordinates. However, for your given set of Miller-Bravais indices you can calculate the normal vector of the plane in spatial coordinates.

-Constanze
« Last Edit: October 30, 2018, 11:02:04 AM by Constanze Kalcher »