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Molecular dynamics simulations of dislocation–coherent twin boundary interaction in face-centered cubic metals

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Abstract

The interaction mechanisms between dislocations and coherent twin boundary (CTB) were determined with molecular dynamics simulations. The dislocation slip rate is found to depend on the temperature and the shear rate. The edge and screw dislocations displayed different mechanisms when they interacted with the CTB. The edge dislocation could pass through the CTB, leaving a twinning dislocation to heal the boundary, while the screw dislocation was absorbed by the CTB. The activation energy of overcoming the CTB was also calculated. The energy barrier for the edge dislocation to pass through the CTB was much higher than that needed for the screw one to be absorbed.

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The raw/processed data required to reproduce these findings cannot be shared at this time as the data also form part of an ongoing study.

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Acknowledgements

The authors gratefully acknowledge the National Natural Science Foundation of China (Nos. 51831008 and U1810207) and the Key Research & Development Program of Hebei Province (Nos. 19211018D and 20311002D).

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Authors and Affiliations

  1. State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao, 066004, China

    Chen Chen, Fucheng Zhang & Zhinan Yang

  2. National Engineering Research Center for Equipment and Technology of Cold Rolled Strip, Yanshan University, Qinhuangdao, 066004, China

    Chen Chen, Fucheng Zhang & Zhinan Yang

  3. Hebei Ley Lab for Optimizing Metal Product Technology and Performance, Yanshan University, Qinhuangdao, 066004, China

    Chen Chen

  4. Key Laboratory of Mechanical Reliability for Heavy Equipments and Large Structures of Hebei Province, Yanshan University, Qinhuangdao, 066004, China

    Hao Xu

  5. Altai State Technical University, Lenin Str. 46, Barnaul, Russia, 656038

    Gennady M. Poletaev

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  1. Chen Chen
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Correspondence to Chen Chen or Fucheng Zhang.

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Chen, C., Zhang, F., Xu, H. et al. Molecular dynamics simulations of dislocation–coherent twin boundary interaction in face-centered cubic metals. J Mater Sci 57, 1833–1849 (2022). https://doi.org/10.1007/s10853-021-06837-7

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  • DOI: https://doi.org/10.1007/s10853-021-06837-7

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