[GSAS-II] Constraining anisotropic strain coefficient

Nick Weadock nweadock at gmail.com
Tue Nov 28 18:36:31 CST 2017


I'm doing a sequential refinement of a isostructural phase transition (FCC
-> expanded FCC) and am having some issues at the final stage of the
transformation. As the phase fraction of the initial phase is so low,
refining the anisotropic strain term will force the lattice parameter to be
nearly identical to that of the transformed phase. As a result, the phase
fraction of the transformed phase does not go completely to 1.

Is there a way to constrain the D11 parameter of the two phases to be below
a certain value to prevent this from happening?

-- 
Nick Weadock
PhD Candidate, Materials Science
California Institute of Technology
1200 E California Blvd, Pasadena, CA 91125
MC 138-78
x2520
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.aps.anl.gov/pipermail/gsas-ii/attachments/20171128/1687d654/attachment.html>


More information about the GSAS-II mailing list