to my knowledge there is no easily available Rietveld program with dislocation broadening implemented. Wu et al. (Wu, E., Kisi, E. H. & Gray, E. Mac. A., 1998, J. Appl. Cryst. 31, 363-368) have used their version of Rietica. For the last news on the availability of this program you may contact the authors or Mark Pitt ([EMAIL PROTECTED]) who continues to develop the program.
You may also have a look on the program Maud (http://www.ing.unitn.it/~luttero/maud/index.html), and on the works of P. SCARDI, and M. LEONI, "Whole powder pattern modelling". Acta Crystallographica A58 (2002). 190-200.
You may also do the individual profile fitting, and work then with obtained line breadths. In this case I have a small Fortran program (J. Appl. Cryst. 33, 2000, 997-1005 ), which does the dislocation densities fitting for the selected dislocation systems in the hexagonal case (easily modified for cubic).
Best regards
Radovan
[EMAIL PROTECTED] a écrit:
Dear colleages,
Could any of you tell me if there exists a free software to calcalate densities of dislocations from the width or integral breadth of individual the X-ray diffraction profiles?
Regards.
Angel Luis.
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Radovan Cerny Laboratoire de Cristallographie 24, quai Ernest-Ansermet CH-1211 Geneva 4, Switzerland Phone : [+[41] 22] 37 964 50, FAX : [+[41] 22] 37 961 08
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URL : http://www.unige.ch/sciences/crystal/cerny/rcerny.htm
