کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1569593 | 999927 | 2007 | 10 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Computer simulation of the interaction of carbon atoms with self-interstitial clusters in α-iron Computer simulation of the interaction of carbon atoms with self-interstitial clusters in α-iron](/preview/png/1569593.png)
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.
Journal: Journal of Nuclear Materials - Volume 361, Issue 1, 31 March 2007, Pages 52–61