First order pyramidal slip of 1/3 <1-210> screw dislocations in zirconium
arXiv:1410.1121 · doi:10.1007/s11661-014-2568-7
Abstract
Atomistic simulations, based either on an empirical interatomic potential or on ab initio calculations, are used to study the pyramidal glide of a 1/3 <1-210> screw dislocation in hexagonal close-packed zirconium. Generalized stacking fault calculations reveal a metastable stacking fault in the first order pyramidal {10-11} plane, which corresponds to an elementary pyramidal twin. This fault is at the origin of a metastable configuration of the screw dislocation in zirconium, which spontaneously appears when the dislocation glides in the pyramidal plane.
symposium "Multiscale perspectives on plasticity in hcp metals", TMS 2014 annual meeting, Metallurgical and Materials Transactions A (2014)