PM2K: a flexible program implementing Whole Powder Pattern Modelling

Whole Powder Pattern Modelling (WPPM) has been recently proposed as a self-consistent low-bias technique for the microstructural investigation of nanocrystalline materials. 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 implementing 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 development 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.