Molecular Dynamics Simulation of Argon Atoms Impacting on A Poly (Ether Ether Ketone) Surface
V.V. Sirotkin

V.V. Sirotkin, Institute of Microelectronics Technology, and High Purity Materials of RAS, Chernogolovka, Russia.
Manuscript received on 07 April 2019 | Revised Manuscript received on 20 April 2019 | Manuscript published on 30 April 2019 | PP: 524-527 | Volume-8 Issue-6, April 2019 | Retrieval Number: E3141038519/19©BEIESP
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Abstract: Molecular dynamics simulation of the collision of argon atoms with energies from 20 eV to 100 eV with a poly (ether ether ketone) substrate was carried out. The purpose of the simulation was to test the assumption that single argon atoms that are a part of accelerated neutral atom beams can significantly change the structure of the chemical bonds on the surface of this plastic, thereby affecting its bioactivity. The simulation results demonstrated that the impact of argon atoms even with energies not exceeding 40 eV can cause breaks in a sufficient number of C-O bonds in the ether groups and C-C bonds in the ketone groups of plastic macromolecules. The free radicals that appear on the poly (ether ether ketone) surface as a result of this process can transform into hydroxyl and carboxyl groups when interacting with the appropriate atmosphere. The appearance of a large number of such groups on the poly (ether ether ketone) surface after treatment with accelerated neutral atom beams was observed experimentally.
Keyword: Accelerated Neutral atom Beam, Poly(ether ether ketone), Bioactivity, Broken Bonds, Molecular Dynamics Simulation.
Scope of the Article: Digital Clone or Simulation