title: Structure and mobility of defects formed from collision cascades in MgO.
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.
authors.affiliation: Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
authors.forename: B P
authors.initials: BP
authors.lastname: Uberuaga
authors.forename: R
authors.initials: R
authors.lastname: Smith
authors.forename: A R
authors.initials: AR
authors.lastname: Cleave
authors.forename: F
authors.initials: F
authors.lastname: Montalenti
authors.forename: G
authors.initials: G
authors.lastname: Henkelman
authors.forename: R W
authors.initials: RW
authors.lastname: Grimes
authors.forename: A F
authors.initials: AF
authors.lastname: Voter
authors.forename: K E
authors.initials: KE
authors.lastname: Sickafus