Automation of the Method for Construction of the Radial Distribution Function for Studying the Structure of Amorphous Substances

— An idea proposed by us previously is used in this paper. The idea is that the first coordination number in the structure of an amorphous substance is independent of the amplitudes of atomic thermal vibrations near the equilibrium position. A corresponding algorithm is developed, and a program which makes it possible to calculate the radial distribution function (RDF) of atoms in the automatic mode is created. The program calculates the normalization coefficient of the interference function and subtracts the incoherent scattering background. The program and algorithms are tested and debugged using the electron diffraction analysis of well-studied amorphous-Ge thin films. Tungsten-trioxide thin films obtained by pyrolysis are used as the substance under study. The results of RDF construction showed that it is necessary to correct the atomic WO 3 model. Experimental curves for the intensities of both substances are obtained using our developed precision system for measuring electron diffraction patterns using an EMR-102 electron diffractometer. The developed algorithms and computing methods are independent of the type of radiation (diffraction of electrons, neutrons or X-rays) and make possible calculation of the first coordination number with an accuracy of several percent.