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

doi:10.11896/cldb.23120142

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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

Published: 25 January 2025 Online: 2025-01-21

CLC number:	TB31
	O346.3

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	Articles by authors
	GENG Changjian
	YANG Yibin
	YOU Baocai
	DONG Huicong
	MA Haikun

Cite this article:

GENG Changjian,YANG Yibin,YOU Baocai, et al. Molecular Dynamics Simulation Elucidating the Deformation Mechanism of Single Crystal Cr-Co-Ni Alloys with Compositional Dependence[J]. Materials Reports, 2025, 39(2): 23120142-5.

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https://www.mater-rep.com/EN/10.11896/cldb.23120142 OR https://www.mater-rep.com/EN/Y2025/V39/I2/23120142

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