"In this case it is case it is expected that there will be formation of dislocation loops in the material due to irradiation".
Well, simulations which would be made on the same material in the case of different kinds of dislocations and defaults could say if really the line-broadening is the finger-print of some defects when they are dominant.
Do such simulations were made ? I mean simulation with large models, knowing precisely all the atom positions, including in the neighbouring of the defects, and using the Debye formula for estimating the interference function.
I do not think that such credible simulations were made. Most simulations are done by using approximated formula giving directly some peak shapes at expected diffraction positions. Defects are statistically approximated. This has nothing relation with any reality of a large model where atoms have to accomodate the defects (interatomic distances have to be realistic).
I am afraid that such credible simulations could reveal that very different kinds of defaults could give rise to almost the same broadening on the powder patterns. Because a powder pattern is a mess ;-). 3 dimensions gathered in one...
Best wishes,
Armel
