I want to calculate the strains and the cristallites size using fullprof refinement. I followed the necessary steps by creating an .irf file but the generated .mic file does not contain results (incomplete). How I will solve this problem?
Lydia Zaidi You can calculate crystallite size and strain manually from Rietveld output files. Crystallite size = K(lamda)/βCos θ.You can take values β and θ from output file and then do calculation.
For this purpose FullProf require TCH peak profile (npr=7) function. The .mic file generated (empty) by you occur on using other functions like simple pseudo-Voigt (npr=5) function.
For simple learning purpose read "Microstructural_effects-Documents about microstructure" and practice .pcr file of an example "size-sph" Notes about size effects". You can download them from:
https://www.ill.eu/sites/fullprof/php/tutorials.html
If you can run them properly, then try for your sample by editing .pcr file accordingly.
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