Dear Reitvelders
Re: rough estimation of phase weight concentration and grain size from diffraction analysis that has overlapping of three co-existence oriented powder. I have diffraction using Bragg-Brentano with three known phases (polymorphs). Following pole figure analysis done for a single isolated reflation from a certain phase, the grains in the sample are oriented (however I do not know the orientation of each phase and its degree of orientation). I am trying to estimate the phases weight concentration and grain size of each phase (I will be satisfy with ca. 20% error). I used CrystalDiffract in order to manually fit calculated diffraction to the measured diffraction. I used the output fitting parameters of grain size of each phase to calculate (independently) the phases weight concentrations assuming spherical grains. This serves as a constrain, namely I corrected my fitting until it satisfy (match) with the weight phase concentration that obtained from fitting. I used also automating calculating fitting software (Match 2). The fitting output was of weighted concentration only. The weight concentration parameters obtained using the automatic fitting are similar to the parameters I have got manually. Did I got fair (say 20% error) phase weighted concentration or I mislead by orientations? How can I check if my results are insane? Say I fit also a diffraction done on different tilting angles in parallel beam mode? Can you recommend alternatives as for different procedure before handling Rietveld refining? Thanks Shay -- _________________________________________________ Dr. Shay Tirosh Institute for Nanotechnology & Advanced Materials Bar Ilan University Ramat Gan, 52900 Israel Phone: +972-(0)30-531-7320 Mobile: +972-(0)54-8834533 Email: stiro...@gmail.com _________________________________________________
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