Object kinetic Monte Carlo study of sink strengths

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Abstract

The sink strength (SS) for three-dimensionally (3D) versus one-dimensionally (1D), or mixed 1D/3D, migrating defects in irradiated materials has attracted much attention in the recent past. Analytical expressions have been developed and a "master curve" approach proposed to describe the transition from purely 1D to purely 3D defect migration. Object kinetic Monte Carlo methods were subsequently used to corroborate the theoretical expressions. Although good agreement was generally found, the ability of this technique to reach the 1D migration limit has been questioned. We show that this technique can reproduce the theoretical expressions for the SS in the whole range of conditions explored. Despite the limited size of the OKMC simulation-box, the method is suitable to describe microstructure evolution of irradiated materials for any defect migration pattern, including fully 1D migrating defects, and to allow for the effect of extended microstructural features, larger than the simulation-box, such as grain boundaries.

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Original languageEnglish
Pages (from-to)159-169
JournalJournal of Nuclear Materials
Volume360
Issue number2
DOIs
Publication statusPublished - Jan 2007

Keywords

  • computer simulation, kinetic Monte Carlo, sink strength

ID: 284667