| CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES |
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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 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 |
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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.
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Received: 06 January 2022
Revised: 14 February 2022
Accepted manuscript online: 25 February 2022
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PACS:
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61.72.Bb
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(Theories and models of crystal defects)
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61.72.Lk
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(Linear defects: dislocations, disclinations)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11874093 and 11974062). |
Corresponding Authors:
Shao-Feng Wang
E-mail: sfwang@cqu.edu.cn
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Cite this article:
Hao Xiang(向浩), Rui Wang(王锐), Feng-Lin Deng(邓凤麟), and Shao-Feng Wang(王少峰) Core structure and Peierls stress of the 90° dislocation and the 60° dislocation in aluminum investigated by the fully discrete Peierls model 2022 Chin. Phys. B 31 086104
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