Formation of I 1 stacking fault by deformation defect evolution from grain boundaries in Mg
YJ Hu and V Menon and L Qi, JOURNAL OF MAGNESIUM AND ALLOYS, 10, 2717-2729 (2022).
I 1 stacking faults (SFs) in Mg alloys are regarded as the nucleation sites of ( c+a ) dislocations that are critical for these alloys to achieve high ductility. Previously it was proposed that the formation of I 1 SFs requires the accumulations of a large number of vacancies, which are difficult to achieve at low temperatures. In this study, molecular dynamics (MD) and molecular statics (MS) simulations based on empirical interatomic potentials were applied to investigate the deformation defect evolutions from the symmetric tilt grain boundaries (GBs) in Mg and Mg-Y alloys under external loading along ( c) -axis. The results show the planar faults (PFs) on Pyramidal I planes first appear due to the nucleation and glide of ( 12 c + p) partial dislocations from GBs, where ( p) = 13 ( 10 1 over line 0) . These partial dislocations with pyramidal PFs interact with other defects, including pyramidal PFs themselves, GBs, and ( p) partial dislocations, generating a large amount of I 1 SFs. Detailed analyses show the nucleation and growth of I 1 SFs are achieved by atomic shuffle events and deformation defect reactions without the requirements of vacancy diffusion. Our simulations also suggest the Y clusters at GBs can reduce the critical stress for the formation of pyramidal PFs and I 1 SFs, which provide a possible reason for the experimental observations that Y promotes the ( c+a ) dislocation activities.(c) 2022 Chongqing University. Publishing services provided by Elsevier B.V. on behalf of KeAi Communications Co. Ltd. This is an open access article under the CC BY-NC-ND license ( http://creativecommons.org/licenses/by-nc-nd/4.0/ ) Peer review under responsibility of Chongqing University
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