The effect of the angle of «meeting» of fullerite C60 with a solid substrate on the deposition process

Carbon forms a large number of allotropic forms, one of which is fullerene. Fullerene is a convex closed polyhedron with carbon atoms at its vertices. The most common is fullerene, consisting of 60 carbon atoms and designated - C60. In turn, fullerenes are able to agglomerate, forming a molecular crystal - fullerite. In the interaction of fullerite C60 with a solid, it is possible to deposit on the surface of the body both whole fullerite and the fullerenes that form it. The interaction process in the C60 fullerite system - the substrate of a solid, and then on - the fullerite - substrate system - is multi-parameter. So, when modeling the interaction of fullerite with a substrate, the following were taken into account: the temperature of the system - 300, 700, 1150 K; the speed of fullerite movement is 0.005, 0.01, 0.02 Å / fs. In addition, in the study, we varied the angle between the fullerite velocity vector and the normal to the contact surface of the substrate, called the “meeting angle”. An iron crystal Fe (100) was modeled as a solid body substrate, as one of the most common structural materials. Fullerite C60 was in contact with the solid substrate with its face. Computer simulation of the process of contact of fullerite C60 with the substrate was carried out in the LAMMPS software package. The main result of this study is to determine the effect of the angle of “meeting” of C60 fullerite in contact with a solid substrate, which will significantly complement the overall picture of the process of C60 fullerite deposition. In turn, this can allow the creation of various films and wear-resistant coatings on the surface of materials.