Evaluation of substructure parameters by peak profile analysis of high-resolution neutron diffraction spectra

The peak profile shape analysis has been preferentially used in evaluation of X-ray and synchrotron powder diffraction pattern. However, neutron diffraction facilities of new generation frequently offer the instrumental resolution high enough to study efficiently the effects of broadening of neutron diffraction profiles. The present paper describes the procedure for a detailed evaluation of Bragg peak shape based on the method of transformed model fitting (TMF) which has been recently developed particularly for treatment of neutron diffraction profiles. Microstructure modeling is performed in the reciprocal space and the convolution of the model with the instrumental resolution curve is fitted to the profiles recorded in the diffraction experiment.