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Information × Registration Number 0212U000502, 0111U004645 , R & D reports Title Usage and adaptation of machine codes for standards of GRID- technologies for multiscale modelling of microstructure transformations in reactor materials. popup.stage_title Head Kharchenko Dmytro Olegovych, Registration Date 15-02-2012 Organization Applied Physics Institute NAS of Ukraine popup.description2 Modeling of the electron structure of HCP alloys Zr - Nb and Zr + vacancies from the first principles is performed. An influence of Nb atoms and vacancies on the energetic characteristics is found. Structure properties of Zr-Nb alloys with arbitrary percentage of Nb are studied. Energetic properties of related BCC and HCP structures are investigated. Considering statistical thermodynamics and kinetics of FCC alloys Ni-Fe it is found an influence of elastic and magnetic interactions on morphology of the microstructure in such alloy. A change of the microstructure of crystal systems under influence of the ballistic diffusion is studied. Considering dynamics of defects it was found that at recrystallyzation processes organized spatial patterns are stable. Programming units an libraries for corresponding computer simulations in GRID-environment are developed: JSDL-tasks and shell-scripts are developed. Product Description popup.authors Вернигора Ірина Василівна Кохан Сергій Васильович Купрієнко Віктор Вікторович Лисенко Ірина Олегівна Харченко Василь Олегович Харченко Дмитро Олегович popup.nrat_date 2020-04-02 Close