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Information × Registration Number 0212U000271, 0111U008996 , R & D reports Title Stage 2. Development of computer model of growth nanalayer film Cu-Nb and methods of the analysis of defective structure popup.stage_title Head Zmij Viktor Ivanovych, Registration Date 30-01-2012 Organization National Science Center "Kharkiv Institute of Physics and Technology popup.description2 According to the plan the models for computer simulation of Cu and Nb films growth were created. It based on the of molecular dynamic simulation models with constant temperature and imbedded atom potentials. Algorithms for defect structure analysis were created. It based on the analysis of space distribution of electron densities. The process of niobium and copper film nanostructure formation was investigated by the computer simulation method. The results show that the formation of nanoblocks in the bulk is provoked by the morphologic instability development at the surface of a growing film. The time dependences of the film roughness are obtained. It has been established that the mechanism of condensation microcrack nucleation is involved by the fluctuation nucleation of zones containing a stacking fault, and their growth and subsequent formation of vacancy clusters is determined by the effect of incident atom trajectory deviation in the force field of surface atoms. The film density changing in depth is studied. The conclusion is drawn about the transition, at the low-temperature deposition, from the stochastic growth to the phase of oriented nanocrystal growth. The method of molecular dynamics was used to investigate the evolution of a cluster structure in deposited copper layers at temperatures of 50-500K. It has been established that in the case of a high surface occupancy the processes of atomic ordering have a diffusion nature and are related with a collective motion of atoms in clusters. Investigations were carried out on the temperature dependence of a dislocation-induced coalescence (DIC) phenomenon consisting in the fcc cluster growth due to the hcp cluster quantity decrease as a consequence of Shockley surface dislocation motion. It is shown that DIC plays an essential role in the formation of a cluster structure throughout the whole temperature range under investigation. As the temperature decreases the DIC value in the processes of deposited film structure formation is increasing. Then the DIC stage onset displaces towards the higher surface layer density. Product Description popup.authors Андреєв Анатолій Опанасович Бредіхін Михайло Юрійович Змій Віктор Іванович Картмазов Геннадій Миколайович Карцев Микола Федорович Коваленко Володимир Іванович Корнєєв Олександр Олександрович Кунченко Віктор Володимирович Кунченко Юрій Вікторович Лукирський Юрій Валентинович Маринін Володимир Григорович Мартиненко Людмила Іванівна Марченко Іван Григорович Павленко Володимир Іванович Поляков Юрій Іванович Рижова Тетяна Петрівна Руденький Сергій Георгійович Сафонов Володимир Йосипович Серченко Анатолій Ілліч Щербак Семен Павлович popup.nrat_date 2020-04-02 Close