Ab initio modeling of slip activity in body-centered cubic chromium

Baptiste Bienvenu (1) , Emmanuel Clouet (1)

1 SRMP - Service de recherches de métallurgie physique

Slip activity in body-centered cubic chromium is modeled by means of ab initio calculation of screw dislocations core properties and Peierls potential. As dislocations having 1/2<111> Burgers vector and also <100>, both gliding in {110} crystallographic planes have been reported experimentally, both screw dislocations are modeled. A generalized yield criterion incorporating physical ingredients necessary to account for deviations from the Schmid law is obtained for <111>{110} and <100>\hkl{110} slip systems. We report a broad range of crystal orientations for which <100> screw dislocations are easier to activate than the conventional 1/2<111> in tension and compression. These results hold for both the non-magnetic and antiferromagnetic phases of body-centered cubic chromium, with only a marginal effect of magnetism.

Mots clés: Dislocations; Plasticity; Chromium; Magnetism

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

Baptiste Bienvenu, Emmanuel Clouet. Ab initio modeling of slip activity in body-centered cubic chromium. Acta Materialia, 2022, 224, pp.117485. ⟨10.1016/j.actamat.2021.117485⟩. ⟨cea-03646746⟩