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Information × Registration Number 0220U102771, 0119U103480 , R & D reports Title Multiscale modeling an interaction of dislocations, dislocation loops, and grain boundaries with defect clusters in neutron irradiated zirconium-based alloys popup.stage_title Head Kharchenko Dmytro O., Доктор фізико-математичних наук Registration Date 25-05-2020 Organization Institute of Applied Physics National Academy of Sciences of Ukraine popup.description2 An atomistic modeling from the first principles of defect formation in Zirconium based alloys with Fe, Cu, Nb and Sn impurities is performed. The properties of secondary phases and defect clusters are investigated. A new interatomic interaction potential for Zr-Fe and Zr-Cu alloys for molecular dynamics modeling is proposed. It was tested at the stage of the sample preparation (annealing), mechanical testing of the prepared samples, as well as in the cascades under neutron irradiation. A theoretical model for the cluster dynamics modeling of Zr-Nb-Sn alloys under different irradiation conditions with different content of alloying elements, grain size, precipitates size is developed. A model for describe the dislocation loops growth is developed within the framework of reaction rate theory, which is generalized by the inclusion of a local description of the loops growth caused by the influence of grain boundaries and precipitates growth. A dependence of loop size, deformation and hardening are analyzed at different temperatures, grain size, precipitates size, content of alloying elements, local distribution of loops inside the grain, as well as clustering efficiency in Zr-Nb-Sn alloys under irradiation conditions in the reactors. A combined approach based on phase field theory, reaction rate theory, and elasticity theory was developed in order to study microstructure transformations and the evolution of defect structure in Zr-Sn alloys. A stability properties of the secondary A15 phase under neutron irradiation are discussed, as well as the local rearrangement of point defects during neutron irradiation, formation of the developed dislocation structure and mechanical properties change of irradiated Zr-Sn alloy samples. Product Description popup.authors Bashtova Anna I. Kokhan Serhii V Kuprienko Viktor V. Iryna Lysenko O. Lysenko Oleg Borysovych Ovcharenko Yurij M Kharchenko Vasyl O. Kharchenko Dmytro O. Shchokotova Olha M. popup.nrat_date 2020-07-03 Close