Article ID Journal Published Year Pages File Type
1569593 Journal of Nuclear Materials 2007 10 Pages PDF
Abstract

Static and dynamic properties of clusters of self-interstitial atoms and their complexes with carbon (C) atoms in α-iron are studied by molecular dynamics method using a pairwise interatomic potential for iron–carbon interaction and a many-body potential for iron. The effect of C atoms on the configuration, stability and migration of 12〈111〉, 12〈110〉 and 〈1 0 0〉 interstitial clusters is investigated. In the framework of the simple model of interstitial solute used here, C atoms enhance the relative stability of 〈1 0 0〉 over 12〈111〉 clusters, but not enough to explain their common occurrence under irradiation. Clusters of seven interstitials or smaller are able to co-migrate with C atoms with a reduced mobility compared with pure iron. Bigger clusters have dislocation structure and are immobilised: C migrates along the core of their periphery as in the core of a straight edge dislocation. C dissociates from all clusters at high enough temperature.

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Physical Sciences and Engineering Energy Nuclear Energy and Engineering
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