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
B√Ętiment 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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