A computer program is elaborated for the determination of crystallite size distribution and dislocation structure by fitting the measured diffraction profiles by ab initio theoretical functions.

Two different methods of diffraction peak profile analysis are suggested for the determination of microstructural parameters in terms of crystallite size distribution and dislocation structure. The first is based on modified Williamson-Hall and Warren-Averbach procedures; the second is a whole-profile fitting by using the Fourier coefficients of ab initio size and strain profiles.