中国物理B ›› 2024, Vol. 33 ›› Issue (11): 116201-116201.doi: 10.1088/1674-1056/ad6cca

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A molecular dynamics study on mechanical performance and deformation mechanisms in nanotwinned NiCo-based alloys with nano-precipitates under high temperatures

Zihao Yu(于子皓)1, Hongyu Wang(王鸿宇)1, Ligang Sun(孙李刚)2, Zhihui Li(李志辉)3,4, and Linli Zhu(朱林利)1,†   

  1. 1 School of Aeronautics and Astronautics, Center for X-Mechanics, Zhejiang University, Hangzhou 310027, China;
    2 School of Science, Harbin Institute of Technology, Shenzhen 518067, China;
    3 Hypervelocity Aerodynamics Institute, China Aerodynamics Research and Development Center, Mianyang 621000, China;
    4 National Laboratory for Computational Fluid Dynamics, Beijing 100191, China
  • 收稿日期:2024-05-23 修回日期:2024-08-04 接受日期:2024-08-08 出版日期:2024-11-15 发布日期:2024-11-15
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 12072317) and the Natural Science Foundation of Zhejiang Province (Grant No. LZ21A020002). Ligang Sun gratefully acknowledges the support received from the Guangdong Basic and Applied Basic Research Foundation (Grant No. 22022A1515011402), the Science, Technology and Innovation Commission of Shenzhen Municipality (Grant No. GXWD20231130102735001), and Development and Reform Commission of Shenzhen (Grant No. XMHT20220103004).

A molecular dynamics study on mechanical performance and deformation mechanisms in nanotwinned NiCo-based alloys with nano-precipitates under high temperatures

Zihao Yu(于子皓)1, Hongyu Wang(王鸿宇)1, Ligang Sun(孙李刚)2, Zhihui Li(李志辉)3,4, and Linli Zhu(朱林利)1,†   

  1. 1 School of Aeronautics and Astronautics, Center for X-Mechanics, Zhejiang University, Hangzhou 310027, China;
    2 School of Science, Harbin Institute of Technology, Shenzhen 518067, China;
    3 Hypervelocity Aerodynamics Institute, China Aerodynamics Research and Development Center, Mianyang 621000, China;
    4 National Laboratory for Computational Fluid Dynamics, Beijing 100191, China
  • Received:2024-05-23 Revised:2024-08-04 Accepted:2024-08-08 Online:2024-11-15 Published:2024-11-15
  • Contact: Linli Zhu E-mail:llzhu@zju.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 12072317) and the Natural Science Foundation of Zhejiang Province (Grant No. LZ21A020002). Ligang Sun gratefully acknowledges the support received from the Guangdong Basic and Applied Basic Research Foundation (Grant No. 22022A1515011402), the Science, Technology and Innovation Commission of Shenzhen Municipality (Grant No. GXWD20231130102735001), and Development and Reform Commission of Shenzhen (Grant No. XMHT20220103004).

摘要: Molecular dynamics simulations are performed to investigate the mechanical behavior of nanotwinned NiCo-based alloys containing coherent L1$_{2}$ nano-precipitates at different temperatures, as well as the interactions between the dislocations and nano-precipitates within the nanotwins. The simulation results demonstrate that both the yield stress and flow stress in the nanotwinned NiCo-based alloys with nano-precipitates decrease as the temperature rises, because the higher temperatures lead to the generation of more defects during yielding and lower dislocation density during plastic deformation. Moreover, the coherent L1$_{2}$ phase exhibits excellent thermal stability, which enables the hinderance of dislocation motion at elevated temperatures via the wrapping and cutting mechanisms of dislocations. The synergistic effect of nanotwins and nano-precipitates results in more significant strengthening behavior in the nanotwinned NiCo-based alloys under high temperatures. In addition, the high-temperature mechanical behavior of nanotwinned NiCo-based alloys with nano-precipitates is sensitive to the size and volume fraction of the microstructures. These findings could be helpful for the design of nanotwins and nano-precipitates to improve the high-temperature mechanical properties of NiCo-based alloys.

关键词: NiCo-based alloys, high temperature, nano-precipitate, nanotwins, molecular dynamics simulation, mechanical behavior, deformation mechanism, dislocations

Abstract: Molecular dynamics simulations are performed to investigate the mechanical behavior of nanotwinned NiCo-based alloys containing coherent L1$_{2}$ nano-precipitates at different temperatures, as well as the interactions between the dislocations and nano-precipitates within the nanotwins. The simulation results demonstrate that both the yield stress and flow stress in the nanotwinned NiCo-based alloys with nano-precipitates decrease as the temperature rises, because the higher temperatures lead to the generation of more defects during yielding and lower dislocation density during plastic deformation. Moreover, the coherent L1$_{2}$ phase exhibits excellent thermal stability, which enables the hinderance of dislocation motion at elevated temperatures via the wrapping and cutting mechanisms of dislocations. The synergistic effect of nanotwins and nano-precipitates results in more significant strengthening behavior in the nanotwinned NiCo-based alloys under high temperatures. In addition, the high-temperature mechanical behavior of nanotwinned NiCo-based alloys with nano-precipitates is sensitive to the size and volume fraction of the microstructures. These findings could be helpful for the design of nanotwins and nano-precipitates to improve the high-temperature mechanical properties of NiCo-based alloys.

Key words: NiCo-based alloys, high temperature, nano-precipitate, nanotwins, molecular dynamics simulation, mechanical behavior, deformation mechanism, dislocations

中图分类号:  (Deformation and plasticity)

  • 62.20.F-
61.72.Mm (Grain and twin boundaries) 68.35.bd (Metals and alloys) 02.70.Ns (Molecular dynamics and particle methods)