Chemical domain structure and its formation kinetics in CrCoNi medium-entropy alloy

[Display omitted] The formation of local chemical order in medium-entropy alloys and high-entropy alloys (MEAs/HEAs) has been strongly suggested in recent experimental observations. Since chemical order can lead to changes in mechanical and functional properties, tailoring of chemical order is a pro...

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Bibliographic Details
Published in:Acta materialia 2022-11, Vol.240, p.118314, Article 118314
Main Authors: Du, Jun-Ping, Yu, Peijun, Shinzato, Shuhei, Meng, Fan-Shun, Sato, Yuji, Li, Yangen, Fan, Yiwen, Ogata, Shigenobu
Format: Article
Language:English
Subjects:
Artificial neural networks
Atomic ordering
Atomic structure
Atomistic modeling
Kinetic Monte Carlo
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Summary:[Display omitted] The formation of local chemical order in medium-entropy alloys and high-entropy alloys (MEAs/HEAs) has been strongly suggested in recent experimental observations. Since chemical order can lead to changes in mechanical and functional properties, tailoring of chemical order is a promising approach for further improving those properties of MEAs and HEAs. However, details remain unclear regarding the atomic structure of the chemical order and the formation kinetics. Here, employing a large-scale Monte Carlo/molecular dynamics hybrid annealing simulation with a neural network potential, we find a chemical-domain structure (CDS) after annealing below 800 K in FCC CrCoNi MEA. In addition, the formation kinetics, such as the formation time and process and time–temperature–chemical-order diagrams of the CDS, were successfully obtained using a kinetic Monte Carlo simulation with artificial neural network acceleration. The findings provide key information for controlling chemical order via thermal processing.
ISSN:1359-6454
1873-2453
DOI:10.1016/j.actamat.2022.118314