Atomistic simulations of MeV ion irradiation of silica

Journal Article · Tue Jan 01 00:00:00 EST 2013 · Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

DOI:https://doi.org/10.1016/j.nimb.2012.10.020· OSTI ID:1083717

Backman, Marie ^[1]; Djurabekova, Flyura ^[2]; Pakarinen, Olli H ^[2]; Nordlund, Kai ^[2]; Zhang, Yanwen ^[3]; Toulemonde, Marcel ^[4]; Weber, William J ^[3]

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1. University of Tennessee, Knoxville (UTK)
2. University of Helsinki
3. ORNL
4. CEA-CNRS-ENSICAEN-University of Caen, FRANCE

We used molecular dynamics simulations to study 2.3 MeV Au ion irradiation of silica. In this energy regime, the instantaneous energy loss of the ion is divided almost equally between electronic and nuclear energy loss. The inelastic thermal spike model was used to model the electron-phonon interactions due to the high electronic energy loss. Binary collision approximation calculations provided input for the recoil energies due to MeV ions. We performed simulations of the damage due to the separate damage mechanisms as well as together, and found that the inelastic thermal spike is needed to accurately simulate the irradiation damage from MeV ions.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE Office of Science (SC)
• DOE Contract Number: DE-AC05-00OR22725
• OSTI ID: 1083717
• Journal Information: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 303; ISSN 0168-583X
• Country of Publication: United States
• Language: English

Related Subjects

Radiation damage
Molecular dynamics
Inelastic thermal spike