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Precipitates of Cr at Σ3 <110> {112} GB in α-Fe

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Abstract

Precipitates of Cr at Σ3 <110> {112} GB in α-Fe have been studied using molecular dynamics with a two-band embedded atomic model potential. The accumulation and segregation of Cr atoms and the evolution of the GB depend on local Cr concentration and temperature. At the early stage, with the existence of vacancies, the strong attraction of Cr with the GB core provides a pathway for Cr atoms to quickly accumulate within the GB core. With the increase of Cr concentration, the size of Cr dilute precipitates increases dramatically. And the strong segregation of Cr at the GB is observed, when Cr concentration reach 20%. Also, the size of Cr precipitates increases with increasing the temperatures from 300 K to 1000 K. The accumulation and segregation of Cr atoms at the GB lead to significant deformation of the GB structure and the formation of GB steps, causing the displacement and broadening of the GB.

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Authors and Affiliations

  1. School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu, 610054, China

    Y. Y. Dai, L. Ao, Q. Q. Sun, L. Yang, J. L. Nie & X. T. Zu

  2. School of Science, Huaihai Institute of Technology, Lianyungang, 222005, China

    Q. Q. Sun

  3. Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang, 621900, China

    Q. Q. Sun, S. M. Peng, X. G. Long & X. S. Zhou

  4. Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, New York, 12180, USA

    L. Liu

  5. Pacific Northwest National Laboratory, P.O. Box 999, Richland, WA, 99352, USA

    X. Sun & F. Gao

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  1. Y. Y. Dai
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  2. L. Ao
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  4. L. Yang
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  5. J. L. Nie
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  9. X. T. Zu
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  10. L. Liu
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Dai, Y.Y., Ao, L., Sun, Q.Q. et al. Precipitates of Cr at Σ3 <110> {112} GB in α-Fe. MRS Online Proceedings Library 1645, 602 (2014). https://doi.org/10.1557/opl.2014.255

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