Rev.Adv.Mater.Sci. (RAMS)
No 2, Vol. 25, 2010, pages 164-167

ATOMISTIC SIMULATION OF INTERACTION BETWEEN Cu PRECIPITATES
AND EDGE DISLOCATION IN BCC Fe CRYSTAL

I.N. Karkin, Yu.N. Gornostyrev and L.E. Karkina

Abstract

The interactions between a 1/2<111>{110} edge dislocation and spherical Cu precipitates of diameter D = 2-8 nm in bcc Fe have been investigated. A new interatomic potential that will allow performing atomistic simulations of coherent Cu precipitates in α-iron by the embedded atom method has been developed. A rapid growth of the dislocation-precipitate interaction energy is due to structural instability of the particles of diameter D > 4.2 nm initiated by dislocation.

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