4.6 Article

Molecular dynamic simulation of rutile surface bombardment by argon cluster ions

Journal

VACUUM
Volume 189, Issue -, Pages -

Publisher

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.vacuum.2021.110255

Keywords

Gas cluster ion beams; Rutile; Titanium implants; Surface modification; Molecular dynamics simulation

Funding

  1. Ministry of Science and Higher Education of the Russian Federation [14.579.21.0157, RFMEFI57918X0157]

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The molecular dynamics simulation of accelerated argon cluster ions interacting with rutile surfaces was conducted. The study revealed a strong influence of the anisotropy of rutile's mechanical properties on the amount of sputtered material and the characteristics of impact craters and damaged layers. The simulation also considered the evolution of the surface relief and damaged layer caused by successive impacts of cluster ions, providing insights for analyzing experimental results obtained by treating titanium implants with a beam of argon cluster ions covered with a layer of rutile.
Molecular dynamic simulation of the interaction of accelerated argon cluster ions with rutile surface was performed. The dependence of the amount of sputtered material, as well as the structure and size of arising impact craters and damaged layer on the mass of cluster ions, their energy and angle of incidence was studied. A strong influence of the high anisotropy of the mechanical properties of rutile on these dependencies was demonstrated. The evolution of the surface relief and of the damaged layer characteristics caused by successive impacts of the cluster ions was also considered. The regularities revealed by the simulation were used for the analysis of experimental results obtained by treatment with a beam of argon cluster ions of titanium implants, the surface of which was covered with a layer of rutile.

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