dislocation detection

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1

Dear Lammps users

is it possible to extract the characteristic of dislocations (e.g. burger vector, dislocation detection) in Lammps software?

Best regards

2

Hi, you may use OVITO for this task and it is relatively simple.

3

thanks a lot, but it is not possible within Lammps software?
I analyzed the single crystal of metal in 2D ([1 1 1] crystallographic orientation) and as I know, OVITO is applicable only for dislocation detection in 3D.

4

thanks a lot, but it is not possible within Lammps software?
I analyzed the single crystal of metal in 2D ([1 1 1] crystallographic orientation) and I need to calculate the dislocation density. As I know, OVITO calculated the dislocation density for 3D configuration.

5

There are various LAMMPS computes that calculate per-atom local

structure (cna, centro, cnp, etc). But it is up to you (post-process) to convert

that info into a description of a dislocation. If someone knows

how to further automate the process, we’d welcome a code contribution.

Steve