Abstract
Whole Powder Pattern Modelling (WPPM) has been recently proposed as a self- consistent low-bias technique for the microstructural investigation of nanocrystalline materi- als. Through WPPM, a set of physical parameters actually describing the Fourier transform of diffraction line profiles, can be easily extracted from the diffraction data. In order to cope with the need for a higher flexibility (to test, compare and use new line broadening models) and with the request for additional features, the existing code imple- menting WPPM has been redesigned and improved. The result is a general tool for nonlinear least squares minimisation, highly problem- independent and user-customisable through the use of macros or by a custom software de- velopment kit. A set of libraries have been written in the form of plug-ins, actually imple- menting WPPM and the microstructural models proposed in the literature. The work shows software architecture and examples of application of the program to real cases of study.
Published Version
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