Journal
JOURNAL OF PHYSICS D-APPLIED PHYSICS
Volume 50, Issue 47, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/1361-6463/aa8ff5
Keywords
TREKIS; swift heavy ion; track; molecular dynamics; Monte Carlo; electron kinetics; Al2O3
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Funding
- Czech Ministry of Education [LG15013, LM2015083]
- Russian Foundation for Basic Research [15-58-15002, 15-02-02875]
- Ministry of Education and Science of the Russian Federation [K3-2016-035, 16 APPA (GSI)]
- NRNU MEPhI
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Structure changes and their formation threshold in swift heavy ion (SHI) tracks in Al2O3 are studied using a combined start-to-end numerical model. The hybrid approach consists of the Monte-Carlo code TREKIS, describing kinetics of the electronic subsystem, and classical Molecular Dynamics for lattice atoms. The developed approach is free from a posteriori fitting parameters. Simulations of Xe 167 MeV ion impacts show that relaxation of an excess lattice energy results in formation of a cylindrical discontinuous disordered region of about 2 nm in diameter. Recent transmission electron microscopy observations agree with these results. The threshold of an SHI track formation is estimated to be similar to 6.1 keV nm(-1). Calculated x-ray diffraction patterns of irradiated material demonstrate more pronounced damage of the Al atoms sublattice near SHI trajectories. Modeling of Xe ion tracks overlapping demonstrates that the damaged area can be restored to a near virgin state. Estimations give 6.5 nm as the minimal distance between the Xe ion trajectories resulting in recovery of the transformed structure produced by the previous ion.
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