Abstract
We study radiation-damage events in MgO on experimental time scales by augmenting molecular dynamics cascade simulations with temperature accelerated dynamics, molecular statics, and density functional theory. At 400 eV, vacancies and mono- and di-interstitials form, but often annihilate within milliseconds. At 2 and 5 keV, larger clusters can form and persist. While vacancies are immobile, interstitials aggregate into clusters () with surprising properties; e.g., an is immobile, but an impinging can create a metastable that diffuses on the nanosecond time scale but is stable for years.
- Received 12 November 2003
DOI:https://doi.org/10.1103/PhysRevLett.92.115505
©2004 American Physical Society