Dear All:

I am working on a bulk, polycrystalline (fcc) material that has multiple
deformation faults in the interior of the grains, and has also macroscopic
residual stresses. I have the set of positions for the experimental XRD
peaks, and I would like to calculate both the magnitude of the residual
stress and the lattice parameter. I know that: (1) for the lattice
parameter determination I can use the peak positions coupled with the
Bragg law and the interplanar spacing equation for cubic system, and (2) I
can calculate the residual stress from the interplaner spacing and the
Hooke´s law using also an stress-free material.

My question is: Should I correct firstly the experimentally-determined
peak positions by the peak shifting induced by the deformation faults (as
described in the Warren´s book for fcc crystals) to obtain so a new set of
"corrected" peak positions and then using this "corrected" set to compute
the lattice parameter and residual stress?, or, on the contrary, Should I
calculate the lattice parameter and residual stress directly from the peak
positions with no peak-shifting correction by deformation faulting?.

Thanks in advance.

Angel


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