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Structure and mobility of defects formed from collision cascades in MgO
journal contribution
posted on 2006-11-15, 17:14 authored by B.P. Uberuaga, Roger Smith, A.R. Cleave, F. Montalenti, G. Henkelman, R.W. Grimes, A.F. Voter, K.E. SickafusWe 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 (In) with surprising properties; e.g., an I4 is immobile, but an impinging
I2 can create a metastable I6 that diffuses on the nanosecond time scale but is stable for years.
History
School
- Science
Department
- Mathematical Sciences
Pages
329893 bytesCitation
UBERUAGA, B.P. ... et al, 2004. Structure and mobility of defects formed from collision cascades in MgO. Physical Review Letters 92 (11), p. 115505-1 - 115505-4Publisher
© American Physical SocietyPublication date
2004Notes
This is Restricted Access. The definitive version of this article is available at: http://scitation.aip.org/dbt/dbt.jsp?KEY=PRLTAO&Volume=92&Issue=11ISSN
1079-7114;0031-9007Language
- en