Author Topic: PKA (primary knock atom)  (Read 304 times)

zahid

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PKA (primary knock atom)
« on: September 11, 2018, 02:29:16 AM »
Hi Ovito User

As we know, for radiation damage simulation, we specify the PKA atom through a LAMMPS input script. IS it possible to observe that PKA atom through the OVITO? If Yes Can anyone guide me about that?

Xtof

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  • Posts: 63
Re: PKA (primary knock atom)
« Reply #1 on: September 11, 2018, 08:42:31 AM »
Hi,

I am not sure I understand what you mean by "observe the PKA atom"
If what you want to is to see the defects caused by the PKA in OVITO, first dump in LAMMPS snapshots of the cell every N time steps.
Then, in OVITO you can calculate for each snapshot the SIA and V using the Wigner-Seitz modifier.

Hope it helps.
Cheers,
Christophe

trungnth

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Re: PKA (primary knock atom)
« Reply #2 on: October 10, 2018, 11:59:28 AM »
Just dump PKA in LAMMPS, then use "Generate trajectory lines" modifier for selected particle (PKA) in Ovito. Now you have a trajectory line of the PKA through the simulation box.