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Orientation-Dependent Mechanical Responses and Plastic Deformation Mechanisms of FeMnCoCrNi High-entropy Alloy: A Molecular Dynamics Study

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Acta Metallurgica Sinica (English Letters) Aims and scope

Abstract

Mechanical properties of high-entropy alloys (HEAs) with the face-centered cubic (fcc) structure strongly depend on their initial grain orientations. However, the orientation-dependent mechanical responses and the underlying plastic flow mechanisms of such alloys are not yet well understood. Here, deformation of the equiatomic FeMnCoCrNi HEA with various initial orientations under uniaxial tensile testing has been studied by using atomistic simulations, showing the results consistent with the recent experiments on fcc HEAs. The quantitative analysis of the activated deformation modes shows that the initiation of stacking faults is the main plastic deformation mechanism for the crystals initially oriented with [001], [111], and [112], and the total dislocation densities in these crystals are higher than that with the [110] and [123] orientations. Stacking faults, twinning, and hcp-martensitic transformation jointly promote the plastic deformation of the [110] orientation, and twinning in this crystal is more significant than that with other orientations. Deformation in the crystal oriented with [123] is dominated by the hcp-martensite transformation. Comparison of the mechanical behaviors in the FeMnCoCrNi alloy and the conventional materials, i.e. Cu and Fe50Ni50, has shown that dislocation slip tends to be activated more readily in the HEA. This is attributed to the larger lattice distortion in the HEA than the low-entropy materials, leading to the lower critical stress for dislocation nucleation and elastic–plastic transition in the former. In addition, the FeMnCoCrNi HEA with the larger lattice distortion leads to an enhanced capacity of storing dislocations. However, for the [001]-oriented HEA in which dislocation slip and stacking fault are the dominant deformation mechanisms, the limited deformation modes activated are insufficient to improve the work hardening ability of the material.

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Acknowledgements

This work was financially supported by the National Natural Science Foundation of China (No. 51922026), the Fundamental Research Funds for the Central Universities (Nos. N2002005 and N2007011), the Liaoning Natural Science Foundation (No. 20180510010), and the 111 Project (No. B20029).

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Authors and Affiliations

  1. Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), School of Material Science and Engineering, Northeastern University, Shenyang, 110819, China

    Hai-Feng Zhang, Hai-Le Yan & Nan Jia

  2. State Key Lab Rolling & Automat, Northeastern University, Shenyang, 110819, China

    Feng Fang

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  1. Hai-Feng Zhang
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  2. Hai-Le Yan
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Correspondence to Hai-Le Yan or Nan Jia.

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Zhang, HF., Yan, HL., Fang, F. et al. Orientation-Dependent Mechanical Responses and Plastic Deformation Mechanisms of FeMnCoCrNi High-entropy Alloy: A Molecular Dynamics Study. Acta Metall. Sin. (Engl. Lett.) 34, 1511–1526 (2021). https://doi.org/10.1007/s40195-021-01260-y

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