The vacancy - edge dislocation interaction in fcc metals: a comparison between atomic simulations and elasticity theory

Emmanuel Clouet (1)

1 SRMP - Service de recherches de métallurgie physique

The interaction between vacancies and edge dislocations in face centered cubic metals (Al, Au, Cu, Ni) is studied at different length scales. Using empirical potentials and static relaxation, atomic simulations give us a precise description of this interaction, mostly in the case when the separation distance between both defects is small. At larger distances, elasticity theory can be used to predict this interaction. From the comparison between both approaches we obtain the minimal separation distance where elasticity applies and we estimate the degree of refinement required in the calculation. In this purpose, isotropic and anisotropic elasticity is used assuming a perfect or a dissociated edge dislocation and considering the size effect as well as the inhomogeneity interaction.

Mots clés: dislocation; vacancy; atomic simulations; elastic modeling

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Emmanuel Clouet. The vacancy - edge dislocation interaction in fcc metals: a comparison between atomic simulations and elasticity theory. Acta Materialia, 2006, 54, pp.3543-3552. ⟨10.1016/j.actamat.2006.03.043⟩. ⟨hal-00084518v2⟩