Atomic simulation of void location effect on the void growth in nickel-based single crystal AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2018.12.053

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Highlights • The Ni, Ni3Al and Ni/Ni3Al interface model were established to analyze the expansion dynamics of void. • The mechanical properties of interface model are controlled by the interaction between void and interface. • Shockley partial dislocations and Stair-rod dislocations dominate the plasticity deformation. Void growth in metallic materials are strongly affected by local microstructure. The location of defect produces a great influence on the mechanical properties of material, especially if defect occurs at the interface. Considering the complex microstructure of nickel-based single crystal, the Ni, Ni3Al and Ni/Ni3Al interface model were established to analyze the expansion dynamics of void using molecular dynamics (MD) method. The expansion behavior of void shows that a/6〈1 1 2〉 Shockley partial dislocations initially nucleates on the free surface of void during the stretching of Ni and Ni3Al model. Whereas, dislocations nucleate from the interface of Ni/Ni3Al interface model. Evolution of void suggested that the plasticity deformation is dominated by movable Shockley partial dislocations and immovable Stair-rod dislocations. Void size effect analysis revealed that the larger void radius is, the smaller yield stress and Young’s modulus are. The mechanical properties of Ni/Ni3Al interface model were controlled by the interaction between void and interface. Graphical abstract Download : Download high-res image (267KB) Download : Download full-size image