Properties of nanomaterials are defined by features of the atomic structure and morphology. Investigation of crystal structure and nanostructure of such small objects is an actual problem. X-ray diffraction method can be used for this purpose. Anisotropic broadening of the diffraction peaks, redistribution of the intensities or appearance of diffuse scattering can appear for nanomaterials. Standard X-ray diffraction techniques used for bulk materials with periodic structures are often not applicable in this case.
These tasks can be solved by the Debye Function Analysis (DFA) method , based on Debye scattering equation (DSE) . It is full-profile method which is applicable for any an arbitrary atoms collection, and therefore can be used for crystalline objects, non-crystalline materials or nanostructures.
Possibilities of modelling diffraction patterns by the DFA by our software  will be shown for specific examples of various nanocrystalline materials: hydroxides of magnesium and tungsten, layered structures, metastable forms of aluminum oxide, ultradispersed iron oxides et al. . It is public-domain software available on the website: www.sourceforge.net/projects/dianna.
Program development was supported by Foundation for Assistance to Small Innovative Enterprises in science and technology program "the Youth Research and Innovation Competition" (UMNIK) 12349GU2/2016 N 3643. Investigations of the samples was conducted within the framework of the budget project АААА-А17-117041710079-8 for Boreskov Institute of Catalysis.References: