中国物理B ›› 2026, Vol. 35 ›› Issue (7): 76103-076103.doi: 10.1088/1674-1056/ae12d1

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Minimum grain size and compression mechanical behavior of polycrystalline graphene based carbon honeycombs: Cell irregularity and grain size effect

Jing-Jing Xing(邢静静)1, Shunran Liu(刘顺然)1, Ren-Liang Zhang(张任良)2, Yong-Gang Wang(王永刚)1, and Li-Jun Yi(易利军)1,†   

  1. 1 Key Laboratory of Impact and Safety Engineering, Ministry of Education, School of Mechanics and Engineering Science, Ningbo University, Ningbo 315211, China;
    2 School of Civil Engineering and Mechanics, Yanshan University, Qinhuangdao 066004, China
  • 收稿日期:2025-07-20 修回日期:2025-10-05 接受日期:2025-10-14 发布日期:2026-07-15
  • 通讯作者: Li-Jun Yi E-mail:yilijun@nbu.edu.cn
  • 基金资助:
    Project supported by the Ningbo Youth Science and Technology Innovation Leading Talents Project (Grant No. 2023QL021), the Fund from the National Key Laboratory of Shock Wave and Detonation Physics (Grant No. JCKYS2024212101), the Key Project of the National Natural Science Foundation of China (Grant No. U2530210), and the K. C. Wong Magana Fund through Ningbo University (NBU).

Minimum grain size and compression mechanical behavior of polycrystalline graphene based carbon honeycombs: Cell irregularity and grain size effect

Jing-Jing Xing(邢静静)1, Shunran Liu(刘顺然)1, Ren-Liang Zhang(张任良)2, Yong-Gang Wang(王永刚)1, and Li-Jun Yi(易利军)1,†   

  1. 1 Key Laboratory of Impact and Safety Engineering, Ministry of Education, School of Mechanics and Engineering Science, Ningbo University, Ningbo 315211, China;
    2 School of Civil Engineering and Mechanics, Yanshan University, Qinhuangdao 066004, China
  • Received:2025-07-20 Revised:2025-10-05 Accepted:2025-10-14 Published:2026-07-15
  • Contact: Li-Jun Yi E-mail:yilijun@nbu.edu.cn
  • Supported by:
    Project supported by the Ningbo Youth Science and Technology Innovation Leading Talents Project (Grant No. 2023QL021), the Fund from the National Key Laboratory of Shock Wave and Detonation Physics (Grant No. JCKYS2024212101), the Key Project of the National Natural Science Foundation of China (Grant No. U2530210), and the K. C. Wong Magana Fund through Ningbo University (NBU).

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摘要： The graphene-based carbon honeycombs (CHCs) have excellent mechanical properties and various applications, and have attracted intensive attention recently. However, the real CHCs in experiments have random cell shapes. The effects of polycrystallinity and cell irregularity on the mechanical properties of CHCs are still unknown. Here, first, we investigate the minimum cell size stability with ideal cell walls in the polycrystalline graphene-based carbon honeycombs (PGCHs). Then, based on molecular dynamics simulations, the compressive mechanical properties of four PGCHs with typical cell irregularities are studied systematically, including the periodic regular graphene-based carbon honeycombs (RGCHs) with a zero-degree cell irregularity. Under in-plane compression, the Young's modulus, initial peak stress, mean plateau stress, and per volume energy absorption $W_{\rm v}$ of RGCHs and PGCHs decrease significantly with increasing grain size, and show a pseudo Hall-Petch relation. The mean plateau stress and $W_{\rm v}$ of PGCHs are higher than those of RGCHs. Under out-of-plane compression, the grain size effect is also obvious. However, the influence of cell irregularity is very small and can be ignored. The results indicate that the Hall-Petch relations of polycrystalline materials are dependent on both grain size and cell irregularity, and provide theoretical guidance for real CHCs in engineering applications.

关键词: mechanical behavior, graphene-based carbon honeycombs, cell irregularity, grain size effect

Abstract: The graphene-based carbon honeycombs (CHCs) have excellent mechanical properties and various applications, and have attracted intensive attention recently. However, the real CHCs in experiments have random cell shapes. The effects of polycrystallinity and cell irregularity on the mechanical properties of CHCs are still unknown. Here, first, we investigate the minimum cell size stability with ideal cell walls in the polycrystalline graphene-based carbon honeycombs (PGCHs). Then, based on molecular dynamics simulations, the compressive mechanical properties of four PGCHs with typical cell irregularities are studied systematically, including the periodic regular graphene-based carbon honeycombs (RGCHs) with a zero-degree cell irregularity. Under in-plane compression, the Young's modulus, initial peak stress, mean plateau stress, and per volume energy absorption $W_{\rm v}$ of RGCHs and PGCHs decrease significantly with increasing grain size, and show a pseudo Hall-Petch relation. The mean plateau stress and $W_{\rm v}$ of PGCHs are higher than those of RGCHs. Under out-of-plane compression, the grain size effect is also obvious. However, the influence of cell irregularity is very small and can be ignored. The results indicate that the Hall-Petch relations of polycrystalline materials are dependent on both grain size and cell irregularity, and provide theoretical guidance for real CHCs in engineering applications.

Key words: mechanical behavior, graphene-based carbon honeycombs, cell irregularity, grain size effect

中图分类号:  (Structure of graphene)

  • 61.48.Gh
62.20.Qp (Friction, tribology, and hardness) 31.15.xv (Molecular dynamics and other numerical methods)