Phase-field-crystal simulation of nano-single crystal microcrack propagation under different orientation angles

doi:10.1088/1674-1056/acb41d

中国物理B ›› 2023, Vol. 32 ›› Issue (4): 44601-044601.doi: 10.1088/1674-1056/acb41d

Phase-field-crystal simulation of nano-single crystal microcrack propagation under different orientation angles

Dunwei Peng(彭敦维)^1,2, Yunpeng Zhang(张云鹏)¹, Xiaolin Tian(田晓林)², Hua Hou(侯华)^2,3, and Yuhong Zhao(赵宇宏)^4,2,†

1 School of Materials Science and Engineering, Xi'an University of Technology, Xi'an 710048, China;
2 School of Materials Science and Engineering, North University of China, Taiyuan 030051, China;
3 School of Materials Science and Engineering, Taiyuan University of Science and Technology, Taiyuan 030024, China;
4 Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China

收稿日期:2022-08-31 修回日期:2022-12-20 接受日期:2023-01-18 出版日期:2023-03-10 发布日期:2023-03-30
通讯作者: Yuhong Zhao E-mail:zhaoyuhong@nuc.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 52074246).

Phase-field-crystal simulation of nano-single crystal microcrack propagation under different orientation angles

Dunwei Peng(彭敦维)^1,2, Yunpeng Zhang(张云鹏)¹, Xiaolin Tian(田晓林)², Hua Hou(侯华)^2,3, and Yuhong Zhao(赵宇宏)^4,2,†

1 School of Materials Science and Engineering, Xi'an University of Technology, Xi'an 710048, China;
2 School of Materials Science and Engineering, North University of China, Taiyuan 030051, China;
3 School of Materials Science and Engineering, Taiyuan University of Science and Technology, Taiyuan 030024, China;
4 Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China

Received:2022-08-31 Revised:2022-12-20 Accepted:2023-01-18 Online:2023-03-10 Published:2023-03-30
Contact: Yuhong Zhao E-mail:zhaoyuhong@nuc.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 52074246).

摘要/Abstract

摘要： The propagation mechanism of microcracks in nanocrystalline single crystal systems under uniaxial dynamic and static tension is investigated using the phase-field-crystal method. Both dynamic and static stretching results show that different orientation angles can induce the crack propagation mode, microscopic morphology, the free energy, crack area change, and causing fracture failure. Crack propagation mode depends on the dislocation activity near the crack tip. Brittle propagation of the crack occurs due to dislocation always at crack tip. Dislocation is emitted at the front end of the crack tip and plastic deformation occurs, which belongs to ductile propagation. The orientation angles of 9° and 14° are brittle-ductile mixed propagation, while the orientation angles of 19° and 30° are brittle propagation and no dislocation is formed under dynamic tension. The vacancy and vacancy connectivity phenomenon would appear when the orientation angle is 14° under static tension, and the crack would be ductile propagation. While the orientation angle is 19° and 30°, the crack propagates in a certain direction, which is a kind of brittle propagation. This work has some practical significance in preventing material fracture failure and improving material performance.

关键词: phase-field-crystal, microcrack, orientation angle, crack propagation

Abstract: The propagation mechanism of microcracks in nanocrystalline single crystal systems under uniaxial dynamic and static tension is investigated using the phase-field-crystal method. Both dynamic and static stretching results show that different orientation angles can induce the crack propagation mode, microscopic morphology, the free energy, crack area change, and causing fracture failure. Crack propagation mode depends on the dislocation activity near the crack tip. Brittle propagation of the crack occurs due to dislocation always at crack tip. Dislocation is emitted at the front end of the crack tip and plastic deformation occurs, which belongs to ductile propagation. The orientation angles of 9° and 14° are brittle-ductile mixed propagation, while the orientation angles of 19° and 30° are brittle propagation and no dislocation is formed under dynamic tension. The vacancy and vacancy connectivity phenomenon would appear when the orientation angle is 14° under static tension, and the crack would be ductile propagation. While the orientation angle is 19° and 30°, the crack propagates in a certain direction, which is a kind of brittle propagation. This work has some practical significance in preventing material fracture failure and improving material performance.

Key words: phase-field-crystal, microcrack, orientation angle, crack propagation

中图分类号: (Fracture mechanics, fatigue and cracks)

46.50.+a

61.72.Bb (Theories and models of crystal defects) 07.05.Tp (Computer modeling and simulation)

Dunwei Peng(彭敦维), Yunpeng Zhang(张云鹏), Xiaolin Tian(田晓林), Hua Hou(侯华), and Yuhong Zhao(赵宇宏). Phase-field-crystal simulation of nano-single crystal microcrack propagation under different orientation angles[J]. 中国物理B, 2023, 32(4): 44601-044601.

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Phase-field-crystal simulation of nano-single crystal microcrack propagation under different orientation angles

Phase-field-crystal simulation of nano-single crystal microcrack propagation under different orientation angles

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