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Title: Structure and mobility of defects formed from collision cascades in MgO
Authors: Uberuaga, B.P.
Smith, Roger
Cleave, A.R.
Montalenti, F.
Henkelman, G.
Grimes, R.W.
Voter, A.F.
Sickafus, K.E.
Issue Date: 2004
Publisher: © American Physical Society
Citation: 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 - 115505-4
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 (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.
Description: 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=11
URI: https://dspace.lboro.ac.uk/2134/2497
ISSN: 1079-7114
0031-9007
Appears in Collections:Closed Access (Maths)

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