Chemical ordering effect on the radiation resistance of a CoNiCrFeMn high-entropy alloy

  • Yangen Li
  • , Jun Ping Du
  • , Peijun Yu
  • , Rui Li
  • , Shuhei Shinzato
  • , Qing Peng*
  • , Shigenobu Ogata
  • *Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

The chemical ordering of CoNiCrFeMn and its effect on radiation resistance is analyzed in this study via Monte Carlo (MC) annealing simulation and molecular dynamics (MD) radiation damage simulation. MC annealing at a lower temperature of 600 K forms an initial stage Cr-rich region in CoNiCrFeMn due to a strong chemical ordering-driven phase decomposition; whereas, annealing at a higher temperature of 1100 K forms a chemical short-range order (CSRO). MD radiation damage simulation shows that the Cr-rich region formed by 600 K annealing accelerates the aggregation and the evolution of defects, facilitating more dislocation loops formation. On the other hand, the CSRO structure formed by 1100 K annealing effectively delays the growth of defect number and tends to reduce the dislocation density and defect diffusion, suggesting better radiation resistance. However, the CSRO structure is destroyed by radiation, thus these advantages of CSRO will disappear in due time if CSRO cannot heal. Fortunately, since the CSRO can recover at working temperature of 1100 K, we speculate that under the working temperature of 1100 K and with a modest radiation damage rate, the advantages of CSRO can maintain for a long time. We finally discuss the condition of the CSRO preservation by proposing a CSRO radiation damage – diffusion healing competition model.

Original languageEnglish
Article number111764
JournalComputational Materials Science
Volume214
DOIs
StatePublished - Nov 2022
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2022

Keywords

  • Chemical short-range order
  • Defects
  • High-entropy alloy
  • Radiation resistance

ASJC Scopus subject areas

  • General Computer Science
  • General Chemistry
  • General Materials Science
  • Mechanics of Materials
  • General Physics and Astronomy
  • Computational Mathematics

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