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Elastic Strain Calculation near Shockley Partial Dislocation


I would like to calculate elastic strain near Shockley partial dislocation in FCC which is bounded by a stacking fault. The problem is there are two layers of HCP particles and the code doesn't calculate the elastic strain and leave the strain as 0. I understand that the input parameter for the code is FCC and that's why it doesn't calculate HCP particles. Is there a way to calculate the elastic strain for both FCC and HCP particles instead of using two different modifiers?

I'm confused because the manual says that it should handle this problem.

"Atoms that are part of stacking fault and coherent twin boundary defects are treated specially. Here, Fe is computed even though the local atomic structure deviates far from the perfect lattice structure. Basically, the calculation method implemented in OVITO performs a decomposition into plastic and elastic deformation in these defects and outputs the elastic component. "


Thank you,


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