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Information × Registration Number 0213U001147, 0110U001142 , R & D reports Title Molecular dynamics simulation of low energy ion interaction with metal nanoclusters on hydrocarbon surfaces popup.stage_title Head Kornich Grygoriy, Доктор фізико-математичних наук Registration Date 21-01-2013 Organization Zaporizhzhia National Technical University popup.description2 The object of study is the metal clusters and hydrocarbon substrates on the basis of polyethylene. Goal is clarification of the characteristics of mass transfer mechanisms in systems of single metal clusters on hydrocarbon substrates by simulation, as well as obtaining the values of physical parameters of the corresponding processes. The method of research is molecular-dynamics simulation. Previously developed molecular dynamics models were modified to be able to perform unified simulations of interactions of clusters of different sizes with hydrocarbon surface, for the simulation purpose Lennard-Jones interaction potential parameters are calculated using Lorentz-Berthelot rules. Simulations of bombardments of copper and gold clusters consisted of 13, 27, 39, 75 and 195 atoms on polyethylene surface with 100-eV, 200-eV and 400-eV Ar and Xe ions were performed. Sputtering and backscattering yields, angular distributions of sputtered cluster atoms, distributions of elastic energy loss were obtained. Comparative analysis was performed for various simulation conditions. Product Description popup.authors Єрмоленко Олександр Анатолійович Кіпріч Вадим Ігорович Корніч Григорій Володимирович popup.nrat_date 2020-04-02 Close