Quantifying low-energy nitrogen ion channeling in α-titanium by molecular dynamics simulations

M Lebeda and J Drahokoupil and P Vertát and P Vlcák, MATERIALS CHEMISTRY AND PHYSICS, 306, 128098 (2023).

DOI: 10.1016/j.matchemphys.2023.128098

Quantification of nitrogen depth distributions resulting from the low- energy ion implantation into titanium nanoparticles allows tunable and controllable modifications of their properties. We have explored the nitrogen ion implantation into & alpha;-titanium target at 0.5-4 keV kinetic energies by molecular dynamics simulations, with particular focus on the ion channeling effects for low-index surface orientations ((001), (100), (110), (111)) at different target temperatures (300-1155 K) and different angles of incidence (0-29 degrees). The results indicate that the channeling significantly alters the depth distributions, being most prominent for (110) orientation, where causes a new distribution maximum to emerge at a significantly deeper position. An increasing target temperature suppresses notably (albeit not fully) the channeling and a tilted ion incident angle from a perpendicular impact allows controllable reduction of the number of channeling ions.

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