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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

Molecular Dynamics Simulation Elucidating the Deformation Mechanism of Single Crystal Cr-Co-Ni Alloys with Compositional Dependence
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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Co_(10)(CrNi)_(90)、Cr_(10)(CoNi)_(90)以及Ni_(10)(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。 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 Co_(10)(CrNi)_(90),Cr_(10)(CoNi)_(90),and Ni_(10)(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.
作者 耿长建 杨怡斌 由宝财 董会苁 马海坤 GENG Changjian;YANG Yibin;YOU Baocai;DONG Huicong;MA Haikun(China Aviation Development Shenyang Engine Research Institute,Shenyang 110015,China;School of Materials Science and Engineering,Hebei University of Science and Technology,Shijiazhuang 050000,China)
出处 《材料导报》 北大核心 2025年第2期234-238,共5页 Materials Reports
基金 河北省重点研发计划项目(23311004D)。
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 medium-entropy alloy molecular dynamics simulation Shockley incomplete dislocation Lomer-Cottrell lock structure stacking fault tetrahedron
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