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Information × Registration Number 0224U000646, 0123U102993 , R & D reports Title Molecular dynamics simulations of processes of structure formation and growth morphology of nanopowder metal oxides. popup.stage_title Head Savka Stepan S., Кандидат фізико-математичних наук Registration Date 10-01-2024 Organization Institute of Applied Problems of Mechanics and Mathematics named after Ya. S. Pidstryhach of the National Academy of Sciences of Ukraine popup.description2  Research object – ZnO metal oxide nanoclusters. Research goal – establish the physical phenomena, processes and regularities of the formation of the structure and growth morphology of nanopowder metal oxides by the method of molecular dynamics. Research methods – method of molecular dynamics. The optimal initial conditions for studying the regularities of the processes of structure formation and growth morphology of ZnO nanoclusters have been established. The processes of adsorption of atoms during the formation of nanoparticles were studied and the correlation between the gas pressure and the rate of diffusion of oxygen atoms into the ZnO nanocluster was established. The influence of the concentration of oxygen atoms on the processes of formation of O-Zn pairs and on the formation of stable O-Zn bonds was studied. A mathematical model of the processes of structure formation and features of growth morphologies of ZnO nanoclusters was constructed. Product Description popup.authors Bovhyra Rostyslav V. Venhryn Yuriy I. popup.nrat_date 2024-01-10 Close