Authors
Blas P Uberuaga, Roger Smith, AR Cleave, F Montalenti, G Henkelman, RW Grimes, <? format?> AF Voter, KE Sickafus
Publication date
2004/3/19
Journal
Physical review letters
Volume
92
Issue
11
Pages
115505
Publisher
American Physical Society
Description
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 im<?format ?>pinging can create a metastable that diffuses on the nanosecond time scale but is stable for years.
Total citations
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Scholar articles
BP Uberuaga, R Smith, AR Cleave, F Montalenti… - Physical review letters, 2004