含孔洞Cu64Zr36及Cu/Cu64Zr36复合材料拉伸变形的分子动力学研究

doi:10.11896/cldb.23040235

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Abstract In this work, the tensile deformation behaviors of Cu₆₄Zr₃₆ metallic glass and Cu/Cu₆₄Zr₃₆ crystalline/amorphous composite with a pre-existing void are investigated by molecular dynamics (MD) simulation. The results show that the strain concentration caused by void activates the shear transition zone (STZ) and induces the shear band formation of Cu₆₄Zr₃₆ metallic glass. However, the crystalline/amorphous composite effectively avoids catastrophic localization and hinders shear band propagation by dislocation slip in the Cu crystalline phase. A stepwise increase in the degree of the strain localization is mainly related to the nucleation and emission of dislocations, while the slow increase in the degree of the strain localization is related to the STZ activation, and once the shear band is formed, it will lead to a rapid increase in the degree of the strain localization. The existence of voids changes the distribution of shear strain:the peak shear strain is distributed around the void, where it is most likely to activate dislocation movement, STZ and embryonic shear band formation. Numerous dislocation movements and homogeneous STZ activation become the main reason for enhancing the global plasticity of the composites. The variation in the dislocation density in the crystalline phase closely correlates with the shear band activity in the amorphous phase. The dislocation density tends to stay constant and stress accumulation when the homogeneous STZ is activated and shear band is blocked. Once the STZ localization and shear band reactivates, dislocation density increases and stress releases, which are also the main reason for stress fluctuations in the crystalline/amorphous composites.

Key words： Cu/Cu₆₄Zr₃₆ composite shear band shear transformation zone (STZ) dislocation molecular dynamics simulation

Published: 10 August 2024 Online: 2024-08-29

CLC number:

O344

Fund:National Natural Science Foundation of China (12172259, 11772236).

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	LI Zezheng
	SHEN Hongfei
	WU Wenping

Cite this article:

LI Zezheng,SHEN Hongfei,WU Wenping. Molecular Dynamics Study of Tensile Deformation Behaviors of Cu₆₄Zr₃₆ and Cu/Cu₆₄Zr₃₆ Composite with a Pre-existing Void[J]. Materials Reports, 2024, 38(15): 23040235-6.

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http://www.mater-rep.com/EN/10.11896/cldb.23040235 OR http://www.mater-rep.com/EN/Y2024/V38/I15/23040235

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