[GSAS-II] Regarding dislocation density calculation using crystallite size and microstrain

Sorub sorubya at gmail.com
Thu Jun 8 00:55:47 CDT 2023


Dear Brian,
I am a regular user of HPCAT beamline, APS.

I want to calculate the dislocation density of silicon phases. I need to
include both microstrain and domain size contributions in the equation.

As we know,

Dislocation density, ρd = (ρD * ρS)1/2

Contribution from domain size (D), ρD = 3/D2

Contribution from microstrain, ρS = k(εl)2/b2

εl  is equivalent to the average microstrain

In this equation, the microstrain calculations reported in the literature
are of the order of 10-3

In GSAS II, the microstrain is of the order of 106

Do we need any conversion factor to calculate the microstrain to make it to
the order of 10-3? Otherwise, we will overestimate the dislocation density

The Williamson-Hall plot gives the microstrain of the Si ambient phase of
the order 10-3

Please provide your valuable suggestions to tackle this issue

Thanks

Regards

Sorb Y A

Iowa State University
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