System of x-ray identification of substantially multiphase materials

Abstract

The information storage and retrieval system of x-ray phase identification (ISRS PI) targeted to determination of a substantial phase composition of complex and substantially multicomponent polycrystalline materials by their x-ray diffraction spectra is described. A base element of the system is a problem-oriented operator language of search queries for phase identification (PI). The identification procedure is performed with the use of a graphical interface that provides processing of x-ray powder diffraction patterns, self-programming and fulfillment of queries for PI hidden from the user, and construction of model spectra. The identification possibilities of ISRS PI (Retrieve QQPA) are discussed on the basis of data on the Search-Match Round Robin-2002 Internet competition carried out by the CPD Commission of the International Union of Crystallographers.