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材料导报  2025, Vol. 39 Issue (2): 23120142-5    https://doi.org/10.11896/cldb.23120142
  金属与金属基复合材料 |
成分相关的单晶Cr-Co-Ni合金形变机制的分子动力学模拟研究
耿长建1, 杨怡斌2, 由宝财1, 董会苁2,*, 马海坤2
1 中国航发沈阳发动机研究所,沈阳 110015
2 河北科技大学材料科学与工程学院,石家庄 050000
Molecular Dynamics Simulation Elucidating the Deformation Mechanism of Single Crystal Cr-Co-Ni Alloys with Compositional Dependence
GENG Changjian1,YANG Yibin2,YOU Baocai1, DONG Huicong2,*, MA Haikun2
1 China Aviation Development Shenyang Engine Research Institute, Shenyang 110015, China
2 School of Materials Science and Engineering, Hebei University of Science and Technology, Shijiazhuang 050000, China
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摘要 近年来,Co-Cr-Ni中熵合金因其杰出的性能在材料领域引起广泛关注。然而,在单晶Co-Cr-Ni中熵合金中,随着化学成分的变化,其内部微观结构对材料的塑性和硬度等力学性能的影响仍然需要详细研究。本工作借助分子动力学模拟,对包括等原子比例的CoCrNi和非等原子比例的Co10(CrNi)90、Cr10(CoNi)90以及Ni10(CoCr)90在内的不同成分的单晶Co-Cr-Ni中熵合金进行了深入探讨。研究结果揭示了不同成分下材料力学性能的显著差异,包括屈服应力、杨氏模量和流变应力。同时,分析了Lomer-Cottrell锁结构、层错四面体和显微组织的演化,以及这些因素对材料的强化作用。
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耿长建
杨怡斌
由宝财
董会苁
马海坤
关键词:  中熵合金  分子动力学模拟  Shockley不全位错  Lomer-Cottrell锁结构  层错四面体    
Abstract: In recent years, Co-Cr-Ni medium-entropy alloys have attracted extensive attention in the field of materials research owing to its outstanding properties. However, with the change of chemical composition in single crystal Co-Cr-Ni medium-entropy alloys, the influence of internal microstructure on mechanical properties such as plasticity and hardness still needs detailed exploration. This work, by utilizing molecular dynamics simulation, investigated in depth a variety of single crystal Co-Cr-Ni medium-entropy alloys with different compositions, including the stoichiometric CoCrNi, and the non-stoichiometric Co10(CrNi)90, Cr10(CoNi)90, and Ni10(CoCr)90. The results revealed the significant difference of mechanical properties of materials with different compositions, including yield stress, Young's modulus, and flow stress. Furthermore, the Lomer-Cottrell lock structure, stacking fault tetrahedron, and microstructure evolution, as well as the strengthening effect of these factors on the material, were also analyzed.
Key words:  medium-entropy alloy    molecular dynamics simulation    Shockley incomplete dislocation    Lomer-Cottrell lock structure    stacking fault tetrahedron
出版日期:  2025-01-25      发布日期:  2025-01-21
ZTFLH:  TB31  
  O346.3  
基金资助: 河北省重点研发计划项目(23311004D)
通讯作者:  *董会苁,博士,讲师、硕士研究生导师,主要从事高温合金力学性能及半导体材料热传导性能等方面的计算机模拟工作。donghuicong00@163.com   
作者简介:  耿长建,博士,研究员,主要研究方向为航空发动机材料设计及应用、航空发动机残余应力与变形控制技术。
引用本文:    
耿长建, 杨怡斌, 由宝财, 董会苁, 马海坤. 成分相关的单晶Cr-Co-Ni合金形变机制的分子动力学模拟研究[J]. 材料导报, 2025, 39(2): 23120142-5.
GENG Changjian,YANG Yibin,YOU Baocai, DONG Huicong, MA Haikun. Molecular Dynamics Simulation Elucidating the Deformation Mechanism of Single Crystal Cr-Co-Ni Alloys with Compositional Dependence. Materials Reports, 2025, 39(2): 23120142-5.
链接本文:  
https://www.mater-rep.com/CN/10.11896/cldb.23120142  或          https://www.mater-rep.com/CN/Y2025/V39/I2/23120142
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