Rearrangement of interstitial defects in alpha-Fe under extreme condition

Alain Chartier (1) , Mihai Cosmin Marinica (2)

1 LM2T - Laboratoire de Modélisation, Thermodynamique et Thermochimie
2 SRMP - Service de recherches de métallurgie physique

In this study, by theoretical means, we reveal the main mechanisms that underpin the microstructure evolution driven by the formation of self-interstitial atoms (SIAs) clusters in body centered cubic iron under extreme conditions. Using Frenkel pairs accumulation simulations we point the complex interplay between the two families of interstitial defects, the dislocation loops with Burgers vectors <100> and ½<111> and the tridimensional C15 clusters. We reconcile the previous sparse understanding of microstructure evolution that put in opposition various mechanisms of defects formation by showing that both ½ <111> loops self-interactions and C15 clusters transformations produce <100> loops. Moreover, we exhibit the fact that these tri-dimensional clusters can form under irradiations with only the Frenkel pair accumulation that mimics electron irradiation and not only in high-energy cascades as it was previously stated. Finally, we show that the tridimensional C15 clusters even precede production of loops under irradiation.

Keywords: Dislocation loops; SIA; Nucleation; Irradiation; Atomistic simulations; Iron

Domains: Material chemistry

Alain Chartier, Mihai Cosmin Marinica. Rearrangement of interstitial defects in alpha-Fe under extreme condition. Acta Materialia, 2019, 180, pp.141. ⟨10.1016/j.actamat.2019.09.007⟩. ⟨cea-03007557⟩