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Information × Registration Number 0225U000288, (0123U102993) , R & D reports Title Molecular dynamics simulations of processes of structure formation and growth morphology of nanopowder metal oxides. popup.stage_title Вивчення структурної будови та встановлення особливостей розподілу молекул на поверхні наночастинок ZnO. Head Savka Stepan S., Кандидат фізико-математичних наук Registration Date 08-01-2025 Organization Institute of Applied Problems of Mechanics and Mathematics named after Ya. S. Pidstryhach of the National Academy of Sciences of Ukraine popup.description1 Establishment of physical phenomena, processes and regularities of structure formation and growth morphology of nanopowder metal oxides by the method of molecular dynamics popup.description2  Research object – metal oxide nanoclusters of ZnO. Research goal – to identify physical phenomena, processes, and patterns in the formation of the structure and growth morphology of nanopowdered metal oxides using the molecular dynamics method. Research methods – molecular dynamics method.The optimal initial conditions for modeling nanocluster formation processes have been determined. The effect of gas pressure on the adsorption process has been studied. The influence of atomic density in the system on the crystallinity of nanoparticles has been established. A mathematical model of the processes governing the structure formation and growth morphology of ZnO nanoclusters has been developed. Additionally, a mathematical model for the arrangement and distribution of molecules on the surface of nanoparticles has been constructed. Product Description popup.authors Bovhyra Rostyslav V. Venhryn Yurii I. popup.nrat_date 2025-01-08 Close