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Atomistic simulations of martensitic transformation processes for metastable FeMnCoCr high-entropy alloy

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Abstract

Non-equiatomic FeMnCoCr high-entropy alloy (HEA), which exhibits a great potential to break the strength-ductility trade-off relationship, has drawn abundant attention from researchers in experiments. However, atomic simulations of such excellent alloys are limited due to the lack of proper interatomic potentials. In this work, the complete martensitic transformation of non-equiatomic HEA is reproduced via atomic simulations with a novel interatomic potential under EAM framework. The physical parameters of interatomic potential agree well with experimental measurements and first-principles calculations. According to the atomic simulation results of poly-crystalline under tension and compression, two basic transition models of TRIP-DP-HEA for martensitic transformation are revealed, i.e., the overlapping of intrinsic stacking faults or the growth of hcp laminates simultaneously. Moreover, the pathway for martensitic transformation is elucidated with the gliding of Shockley partial dislocations of 1/6 ❬112❭ burgers vectors.

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Authors and Affiliations

  1. Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai Institute of Applied Mathematics and Mechanics, School of Mechanics and Engineering Science, Shanghai University, Shanghai, 200444, China

    Peng Wang

  2. Materials Genome Institute, Shanghai University, Shanghai, 200444, China

    YiCheng Lin, Yu Cao, HaoRan Zhao & QianQian Li

  3. Center for X-mechanics, Zhejiang University, Hangzhou, 310027, China

    Peng Wang, QianQian Li & HongTao Wang

  4. Institute of Applied Mechanics, Zhejiang University, Hangzhou, 310027, China

    HongTao Wang

Authors
  1. Peng Wang
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  2. YiCheng Lin
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  3. Yu Cao
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  4. HaoRan Zhao
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  5. QianQian Li
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  6. HongTao Wang
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Corresponding authors

Correspondence to Peng Wang or QianQian Li.

Additional information

This work was supported by the National Natural Science Foundation of China (Grant Nos. 11902185, 51702207, and 11972219), the Shanghai Sailing Program (Grant No. 19YF1415100), the Young Elite Scientist Sponsorship Program by CAST (Grant No. 2019QNRC001), the Key Research Project of Zhejiang Laboratory, and the Program for Professor of Special Appointment (Young Eastern Scholar Program) at Shanghai Institutions of Higher Learning.

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The supporting information is available online at https://tech.scichina.com and https://link.springer.com. The supporting materials are published as submitted, without typesetting or editing. The responsibility for scientific accuracy and content remains entirely with the authors.

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Wang, P., Lin, Y., Cao, Y. et al. Atomistic simulations of martensitic transformation processes for metastable FeMnCoCr high-entropy alloy. Sci. China Technol. Sci. 66, 998–1006 (2023). https://doi.org/10.1007/s11431-022-2146-9

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  • DOI: https://doi.org/10.1007/s11431-022-2146-9

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