Author Topic: Output position of dislocations using the DXA tool  (Read 68 times)

nhew1994

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Output position of dislocations using the DXA tool
« on: April 29, 2019, 09:15:26 AM »
Hello, I am trying to get the velocity of dislocations in zinc blende crystals CdTe, HgTe and ZnTe. Is it possible to output the exact positions of dislocations using the DXA tool for each time frame?

Constanze Kalcher

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Re: Output position of dislocations using the DXA tool
« Reply #1 on: April 29, 2019, 02:05:19 PM »
Hello,

what you could do is export the dislocation lines in the *.ca file-format.
http://ovito.org/manual_testing/particles.modifiers.dislocation_analysis.html

In this file-format you'll find a section DISLOCATIONS that contains the number of dislocation lines extracted by the DXA, followed by the definition of each line.
Each dislocation line definition also contains the coordinates of the vertices that make up the dislocation line.

-Constanze

Constanze Kalcher

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Re: Output position of dislocations using the DXA tool
« Reply #2 on: April 30, 2019, 09:49:54 AM »
Also, if you're familiar with the python scripting interface, you might find this code example useful:
http://www.ovito.org/manual_testing/python/modules/ovito_data.html#ovito.data.DislocationNetwork
In short, this is how you can access the individual dislocation segments of the dislocation network and print the coordinates of the vertex points.
Code: [Select]
data = node.compute()
for segment in data.dislocations.segments:
    print(segment.points)

-Constanze



nhew1994

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Re: Output position of dislocations using the DXA tool
« Reply #3 on: May 06, 2019, 02:28:41 PM »
Hi Constanze, I have used the python scripting interface for this, it's very helpful. Thank you.