Abstract
The study was carried out within the framework of the development of physicochemical methods for the study of nanostructured materials. The development of the science of materials with a low-dimensional and aperiodic structure has again highlighted the problem of modeling the nucleation of growth and deformation of lattice structures. When considering structural changes in modified materials, one has to face the contradictions between the infinity of the ideal and the finiteness of the corresponding real lattices. The problem of the dimensional ordering of the structure in the modified layers is closely related to the internal geometry of the crystal structure, since the structural changes occurring under any forms of exposure are related to the internal crystallographic model. In the subsurface modified layers, which have nonequilibrium properties and exchange mass and energy with the environment, various types of self-organization and ordered behavior of structural elements are observed, which today cannot be explained within the framework of the accepted crystal-chemical models. The use of new crystallographic models allows us to consider in a new way the organization of the filling of the crystal space by atoms, the dynamic modeling of polyhedral rearrangements, and the effect of interimpurity interaction on the formation of modulated structures in modified layers.
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Borodin, Y. (2023). Modeling of Microcomposition Structure of Crystals. In: Lysenko, E., Rogachev, A., Starý, O. (eds) Recent Developments in the Field of Non-Destructive Testing, Safety and Materials Science. ICMTNT 2021. Studies in Systems, Decision and Control, vol 433. Springer, Cham. https://doi.org/10.1007/978-3-030-99060-2_15
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