Atomic mechanisms of stacking fault propagation in copper crystallite

AV Korchuganov and KP Zolnikov and DS Kryzhevich, MATERIALS LETTERS, 252, 194-197 (2019).

DOI: 10.1016/j.matlet.2019.05.110

The paper presents a molecular dynamics study on the propagation of an intrinsic stacking fault in a copper crystallite under tension. The study shows that the defect moves via the formation of four successive structural configurations in two adjacent regions at its front. Local decrease of atomic volume gives rise to the formation of intermediate structural configuration with bcc symmetry in one of the regions, while an increase of volume in other region leads to the formation of configuration with 13 nearest neighbors. Such intermediate configurations occur with an increase in the potential energy. The atomic volume and the potential energy take their initial values during final rearrangements which move the stacking fault on one elementary step. (C) 2019 Elsevier B.V. All rights reserved.

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