中国物理B ›› 2022, Vol. 31 ›› Issue (8): 86104-086104.doi: 10.1088/1674-1056/ac587f

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Core structure and Peierls stress of the 90° dislocation and the 60° dislocation in aluminum investigated by the fully discrete Peierls model

Hao Xiang(向浩)1, Rui Wang(王锐)1, Feng-Lin Deng(邓凤麟)2,3, and Shao-Feng Wang(王少峰)1,†   

  1. 1 Department of Physics and Institute for Structure and Function, Chongqing University, Chongqing 401331, China;
    2 CAS Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China;
    3 Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China
  • 收稿日期:2022-01-06 修回日期:2022-02-14 接受日期:2022-02-25 出版日期:2022-07-18 发布日期:2022-07-18
  • 通讯作者: Shao-Feng Wang E-mail:sfwang@cqu.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11874093 and 11974062).

Core structure and Peierls stress of the 90° dislocation and the 60° dislocation in aluminum investigated by the fully discrete Peierls model

Hao Xiang(向浩)1, Rui Wang(王锐)1, Feng-Lin Deng(邓凤麟)2,3, and Shao-Feng Wang(王少峰)1,†   

  1. 1 Department of Physics and Institute for Structure and Function, Chongqing University, Chongqing 401331, China;
    2 CAS Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China;
    3 Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China
  • Received:2022-01-06 Revised:2022-02-14 Accepted:2022-02-25 Online:2022-07-18 Published:2022-07-18
  • Contact: Shao-Feng Wang E-mail:sfwang@cqu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11874093 and 11974062).

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摘要： The core structure, Peierls stress and core energy, etc. are comprehensively investigated for the $90^\circ$ dislocation and the $60^\circ$ dislocation in metal aluminum using the fully discrete Peierls model, and in particular thermal effects are included for temperature range $0\leq T \leq 900$ K. For the $90^\circ$ dislocation, the core clearly dissociates into two partial dislocations with the separating distance $D\sim 12$ Å, and the Peierls stress is very small $\sigma_{\rm p}<1$ kPa. The nearly vanishing Peierls stress results from the large characteristic width and a small step length of the $90^\circ$ dislocation. The $60^\circ$ dislocation dissociates into $30^\circ$ and $90^\circ$ partial dislocations with the separating distance $D\sim 11$ Å. The Peierls stress of the $60^\circ$ dislocation grows up from $1$ MPa to $2$ MPa as the temperature increases from $0$ K to $900$ K. Temperature influence on the core structures is weak for both the $90^\circ$ dislocation and the $60^\circ$ dislocation. The core structures theoretically predicted at $T=0$ K are also confirmed by the first principle simulations.

关键词: dislocation, temperature effect, aluminum

Abstract: The core structure, Peierls stress and core energy, etc. are comprehensively investigated for the $90^\circ$ dislocation and the $60^\circ$ dislocation in metal aluminum using the fully discrete Peierls model, and in particular thermal effects are included for temperature range $0\leq T \leq 900$ K. For the $90^\circ$ dislocation, the core clearly dissociates into two partial dislocations with the separating distance $D\sim 12$ Å, and the Peierls stress is very small $\sigma_{\rm p}<1$ kPa. The nearly vanishing Peierls stress results from the large characteristic width and a small step length of the $90^\circ$ dislocation. The $60^\circ$ dislocation dissociates into $30^\circ$ and $90^\circ$ partial dislocations with the separating distance $D\sim 11$ Å. The Peierls stress of the $60^\circ$ dislocation grows up from $1$ MPa to $2$ MPa as the temperature increases from $0$ K to $900$ K. Temperature influence on the core structures is weak for both the $90^\circ$ dislocation and the $60^\circ$ dislocation. The core structures theoretically predicted at $T=0$ K are also confirmed by the first principle simulations.

Key words: dislocation, temperature effect, aluminum

中图分类号:  (Theories and models of crystal defects)

  • 61.72.Bb
61.72.Lk (Linear defects: dislocations, disclinations)