Dear GSAS II,
Is it possible to do the PONKCS[1] (Partial Or No Known Crystal Sturcture)
analysis with GSAS II. With PONKCS method, we can get the amount of the
amorphous phases.
In most of the softwares for PONKCS method, Pawley or LeBail fit (define the
profile) were first used with consequent refinement of HKL fit (the scale
factor was employed for the profile). The profile of the amorphous phase was
fixed allowing just the scale to shift during the refinement. The precision is
promising[1,2].
By calibrating the (ZMV)amorphous for the amorphous content from the raw
materials,we can get the amount of the amporhous content in the mixture. More
details regarding this method is available in Ref [3].
Thanks for you all!
Xuerun LI
Reference:
[1] Scarlett, N. V. Y. and I. C. Madsen (2006). "Quantification of phases with
partial or no known crystal structures." Powder Diffraction 21(04): 278-284.
[2] Snellings, R., et al. (2014). "Use of X-ray diffraction to quantify
amorphous supplementary cementitious materials in anhydrous and hydrated
blended cements." Cement And Concrete Research 64(0): 89-98.
[3] http://www.icdd.com/ppxrd/08/presentations/VanHoyland-ppxrd-8.pdf
2015-06-16
Xuerun LI
Postdoc Researcher
Laboratory of Construction Materials
EPFL-STI-IMX-LMC
Bâtiment MXG 234
Station 12
CH-1015 Lausanne
Switzerland
Office: +41 (0) 21 69 3 78 52
Email: xuerun...@epfl.ch; xueru...@163.com
links: http://lmc.epfl.ch
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