Author Topic: Dislocation Analysis for Fluorite Structures  (Read 62 times)

janelchua

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Dislocation Analysis for Fluorite Structures
« on: November 23, 2017, 07:40:19 AM »
Greetings,

I am attempting to visualize the dislocations in nanoindented CaF2 (essentially an FCC with interstitials). The Fluorite structure is not yet an option in DXA analysis. May i know if there are any recommendations on how i should go about visualizing the dislocations?

Thank you and Best Regards
Janel

Alexander Stukowski

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Re: Dislocation Analysis for Fluorite Structures
« Reply #1 on: November 23, 2017, 09:54:30 AM »
Hi Janel,

Here is what I recommend: Use the Select Particle Type modifier to select the Ca atoms, which form an FCC sublattice. Then apply the DXA modifier and turn on the option "Use only selected particles" and set the crystal structure to "Face-centered cubic".

-Alex