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**Support Forum / Re: dislocation analysis**

« **on:**September 20, 2018, 11:52:10 AM »

I see. So you actually would like to identify dislocations in a hexagonal lattice.

The DXA function in OVITO does not support any 2D crystals, i.e. sheet-like materials like graphene and your hexagonal lattice. The algorithm was only implemented for three-dimensional crystals such as fcc and bcc, where dislocations are 1-dimensional (line-like) defects.

Identifying dislocation in 2d crystals requires a different method, but happens to be much easier, because here dislocations are 0-dimenesional defects. Here is a paper describing a simple algorithm for finding dislocations in 2d lattices:

https://www.sciencedirect.com/science/article/pii/S0022509614001331

I cannot give you a ready-to-use code for this, but it should be relatively easy to implement this algorithm in a Python script. Maybe this is something you can do yourself.

The DXA function in OVITO does not support any 2D crystals, i.e. sheet-like materials like graphene and your hexagonal lattice. The algorithm was only implemented for three-dimensional crystals such as fcc and bcc, where dislocations are 1-dimensional (line-like) defects.

Identifying dislocation in 2d crystals requires a different method, but happens to be much easier, because here dislocations are 0-dimenesional defects. Here is a paper describing a simple algorithm for finding dislocations in 2d lattices:

https://www.sciencedirect.com/science/article/pii/S0022509614001331

I cannot give you a ready-to-use code for this, but it should be relatively easy to implement this algorithm in a Python script. Maybe this is something you can do yourself.