Journal
SCRIPTA MATERIALIA
Volume 192, Issue -, Pages 61-66Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2020.10.006
Keywords
Grain boundary; Shear-coupled motion; Frank loops; Molecular dynamics
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Funding
- US Department of Energy through the Los Alamos National Laboratory
- National Nuclear Security Administration of U.S. Department of Energy [89233218CNA000001]
- DOE-NEUP program [DE-NE 00008767]
- Department of National Nuclear Security Administration through the Nuclear Science and Security Consortium [DE-NA0003180]
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The interaction between migrating grain boundaries and interstitial Frank loops is directly related to the misorientation angle. The sink efficiency of a grain boundary increases with misorientation angle. The transition angle between different modes can be altered by varying the local grain boundary structure.
Molecular dynamics (MD) simulations are performed to investigate the interaction of a migrating grain boundary (GB) with interstitial Frank loops, using a set of GBs along the [100] tilt axis in Cu as model systems. Our results show that the interaction is directly related to the misorientation angle. Specifically, three modes of interaction are observed as a function of misorientation angle. The sink efficiency of a GB, namely, the capability of a GB to absorb the Frank loops, increases with misorientation angle. The above trends are explained based on the differences in the structural units comprising the GB. Additionally, the transition angle between different modes can be altered by varying the local GB structure. (C) 2020 Published by Elsevier Ltd on behalf of Acta Materialia Inc.
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