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Molecular dynamics simulation of screw dislocation interaction with stacking fault tetrahedron in face-centered cubic Cu

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Abstract

The interaction of a gliding screw dislocation with stacking fault tetrahedron (SFT) in face-centered cubic (fcc) copper (Cu) was studied using molecular dynamics simulations. Upon intersection, the screw dislocation spontaneously cross slips on the SFT face. One of the cross-slipped Shockley partials glides toward the SFT base, partially absorbing the SFT. At low applied stress, partial absorption produces a superjog, with detachment of the trailing Shockley partial via an Orowan process. This leaves a small perfect SFT and a truncated base behind, which subsequently form a sheared SFT with a pair of opposite sense ledges. At higher applied shear stress, the ledges can self-heal by gliding toward an SFT apex and transform the sheared SFT into a perfect SFT. However, complete absorption or collapse of an SFT (or sheared SFT) by a moving screw dislocation is not observed. These observations provide insights into defect-free channel formation in deformed irradiated Cu.

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Acknowledgments

The authors thank Professors David Rodney (INPG) and Ian Robertson (UIUC), and Dr. Y. Osetsky and Dr. Y. Matsukawa (ORNL) for many helpful discussions. We gratefully acknowledge the financial support of the National Science Foundation under Contract No. NSF DMR 0244562, Department of Energy, the Office of Fusion Energy Sciences under Grant No. DE-FG02-04GR54750, and the Office of Nuclear Energy, Science and Technology (NEER program) under Contract No. DE-FG07-041D14594.

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Authors and Affiliations

  1. Nuclear Engineering Department, University of California, Berkeley, California, 94720, USA

    Hyon-Jee Lee, Jae-Hyeok Shim & Brian D. Wirth

  2. Materials Science and Technology Research Division, Korea Institute of Science and Technology, Seoul, 136-791, Korea

    Jae-Hyeok Shim

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  1. Hyon-Jee Lee
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  2. Jae-Hyeok Shim
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  3. Brian D. Wirth
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Correspondence to Hyon-Jee Lee.

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Lee, HJ., Shim, JH. & Wirth, B.D. Molecular dynamics simulation of screw dislocation interaction with stacking fault tetrahedron in face-centered cubic Cu. Journal of Materials Research 22, 2758–2769 (2007). https://doi.org/10.1557/JMR.2007.0345

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  • DOI: https://doi.org/10.1557/JMR.2007.0345

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