Registration Number
0215U006255,
0112U000724
, R & D reports
Title
Process of void formation in nanosystems with radial symmetry - from phenomenological description to the computer simulations
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Head
Zaporozhets Tetiana,
Registration Date
09-02-2015
Organization
B. Khmelnitsky state university in Cherkasy
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Purpose of the research – investigation (by computer simulation at the atomic level.) of evolution of the pores in nanosystems with radial symmetry and influence of the core radius of the system, external conditions, and of possibility of crystalline phases growth on pore formation. The subject of the research - phase formation (in particular, pore formation) in open nanosystems with radial symmetry (with the flows of matter and vacancies). The object of research - binary "core-shell" nanosystems with radial symmetry. As a result of the phenomenological description and multiscale computer modeling the theory of pore formation in systems with radial symmetry was developed. The formation and shrinkage of hollow nanoshells are two stages of a single process of the evolution of the "core-shell" system as a result of competition and synergy of Kirkendall effect, Frenkel effect and the Gibbs-Thomson effect. It is proved that the formation of hollow nanoshells by reactive diffusion (solid state reaction) is controlled by a fast component but shrinkage is controlled by slow competition; there exists a critical particle size below which the pore formation becomes impossible. The criteria of stability and ways to predict the nanoshells lifetimes are found. Key words: pores, vacancies, fluxes, nanoparticles, nanotubes, nanoshells, atomistic simulations, Kirkendall effect, Frenkel effect, Gibbs-Thomson effect.
Product Description
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Гусак Андрій Михайлович
Запорожець Тетяна Василівна
Пасічний Микола Олександрович
Подолян Оксана Миколаївна
Сторожук Надія Вікторівна
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2020-04-02
