Изменение размеров фуллеритов C60 при их осаждении на подложку твердого тела

Abstract

Nano-sized films are of great interest for such important industries as mechanical engineering and instrument making. Nanofilms themselves can be constructed from various elements and compounds; however, one of the most promising components used to create nanofilms is C60 fullerene and its compounds. C60 fullerites are molecular crystals in the nodes of which C60 fullerenes are located. It was fullerite C60 that was taken as the basic element of the nanofilm, the deposition of which was simulated in this work. An iron Fe(100) crystal was modeled as the substrate on which the nanofilm was deposited. The temperatures, at which the deposition and formation of the "substrate-nanofilm" system were studied, were 300 K, 700 K, 1150 K. Since the research was carried out at the level of nano-sized objects, the modeling was carried out using the molecular dynamics methods in the LAMMPS software package. The main result of the study is that the influence of temperature and the process of the interaction of C60 fullerites with each other and with the substrate on the size of the C60 fullerites themselves after their deposition on the substrate has been established.