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Information × Registration Number 0219U004340, 0118U003091 , R & D reports Title Multilevel Modelling of Radiation Effects in Systems of Binary Zr-Sn, Zr-Nb, Sn-Nb and Ternary Zr-Sn-Nb Alloys. popup.stage_title Head Kharchenko Dmytro Olegovych, Registration Date 29-05-2019 Organization Applied Physics Institute NAS of Ukraine popup.description2 A multiscale modeling radiation effects in Zirconium based alloys is provided in order to study: microstructure transformations, radiation defects dynamics, stability of secondary phases under neutron irradiation, processes of point defects rearrangement with formation of their clusters, dislocation loops and voids, change in physical and mechanical properties of binary and ternary alloys. In the framework of calculations from the first principles main energetic and structural properties of the binary alloys Zr-Nb, Zr-Sn, Nb-Sn and ternary alloy Zr-Nb-Sn with different concentration of alloying elements and point defects are studied. By using molecular dynamics simulations with obtained interaction potential for Zr-Nb system temperature dependencies of lattice parameters and elastic moduli are studied. Interaction of point defects with grain boundaries is discussed. Diffusion of Zr and Nb atoms in Zr-Nb binary alloys with different concentration of elements is studied. A stability of the secondary phase in binary alloys Zr-Nb is analyzed. By using phase field theory stability of secondary phases at the stage of the sample preparation and at irradiation is obtained. An influence of misfit dislocations onto precipitation and dissolution of secondary phases is studied. Phase field approach is used to study voids formation and growth in binary system under irradiation. Dislocation loops evolution and radiation growth is analyzed at different contents of alloying elements, temperature, and grain size are analyzed. A change in mechanical characteristics (hardening and swelling) under different irradiation conditions is analyzed. Product Description popup.authors Баштова Анна Іванівна Кохан Сергій Васильович Купрієнко Віктор Вікторович Лисенко Ірина Олегівна Лисенко Олег Борисович Овчаренко Юрій Михайлович Харченко Василь Олегович Харченко Дмитро Олегович Щокотова Ольга Михайлівна popup.nrat_date 2020-04-02 Close