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Title: The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys

Abstract

The aging- or radiation-induced hardening of Cu/Mn/Ni precipitates in Fe alloys is one of property degradation mechanisms in structural materials in nuclear reactors. Experiments show that aging or radiation leads the formation of Cu-rich precipitates, and the addition of Mn or Ni elements enhances the precipitation kinetics. In this study, the phase-field model coupled with the constrained string method have been applied to investigate the thermodynamic properties of critical nuclei such as the minimum energy path of Cu/Mn/Ni precipitation in Fe-Cu-Mn and Fe-Cu-Ni ternary alloys. The chemical free energies used in the model are taken from CALPHAD. The simulation results show that the formation of Cu/Mn/Ni clusters needs to overcome an energy barrier, and the precipitate has a Core-Shell structure. The thermodynamic properties of the critical nucleus are influenced by temperature and Cu/Mn/Ni overall concentrations, which are in accordance with the simulation results as well as the experimental observations.

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [3];  [3];  [5];  [1]; ORCiD logo [6];  [1]
  1. Tsinghua Univ., Beijing (China). Lab. of Advanced Materials and School of Materials Science and Engineering
  2. Peking Univ., Beijing (China). Beijing International Center for Mathematical Research and Center for Quantitative Biology
  3. China Nuclear Power Engineering Co., Ltd (CNPEC), Shenzhen (China)
  4. Tsinghua Univ., Shenzhen (China). Graduate School at Shenzhen
  5. China Iron and Steel Research Inst. Group (CISRI), Beijing (China)
  6. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE; National Natural Science Foundation of China (NNSFC); National Magnetic Confinement Fusion Science Program (China); China Nuclear Power Engineering Co., Ltd (CNPEC), Shenzhen (China); National Defense Science and Technology Univ., Tianjin (China)
OSTI Identifier:
1434655
Grant/Contract Number:  
AC05-76RL01830; 51301094; 11622102; 11421110001; 51471092; 2013966003; AC06-76RL01830
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Nuclear Materials
Additional Journal Information:
Journal Name: Journal of Nuclear Materials; Journal ID: ISSN 0022-3115
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 22 GENERAL STUDIES OF NUCLEAR REACTORS

Citation Formats

Li, Boyan, Zhang, Lei, Li, Chengliang, Li, Qiulin, Chen, Jun, Shu, Guogang, Weng, Yuqing, Xu, Ben, Hu, Shenyang, and Liu, Wei. The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys. United States: N. p., 2018. Web. doi:10.1016/j.jnucmat.2018.04.018.
Li, Boyan, Zhang, Lei, Li, Chengliang, Li, Qiulin, Chen, Jun, Shu, Guogang, Weng, Yuqing, Xu, Ben, Hu, Shenyang, & Liu, Wei. The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys. United States. doi:10.1016/j.jnucmat.2018.04.018.
Li, Boyan, Zhang, Lei, Li, Chengliang, Li, Qiulin, Chen, Jun, Shu, Guogang, Weng, Yuqing, Xu, Ben, Hu, Shenyang, and Liu, Wei. Wed . "The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys". United States. doi:10.1016/j.jnucmat.2018.04.018. https://www.osti.gov/servlets/purl/1434655.
@article{osti_1434655,
title = {The effect of Mn/Ni on thermodynamic properties of critical nucleus in Fe-Cu-Mn (Ni) ternary alloys},
author = {Li, Boyan and Zhang, Lei and Li, Chengliang and Li, Qiulin and Chen, Jun and Shu, Guogang and Weng, Yuqing and Xu, Ben and Hu, Shenyang and Liu, Wei},
abstractNote = {The aging- or radiation-induced hardening of Cu/Mn/Ni precipitates in Fe alloys is one of property degradation mechanisms in structural materials in nuclear reactors. Experiments show that aging or radiation leads the formation of Cu-rich precipitates, and the addition of Mn or Ni elements enhances the precipitation kinetics. In this study, the phase-field model coupled with the constrained string method have been applied to investigate the thermodynamic properties of critical nuclei such as the minimum energy path of Cu/Mn/Ni precipitation in Fe-Cu-Mn and Fe-Cu-Ni ternary alloys. The chemical free energies used in the model are taken from CALPHAD. The simulation results show that the formation of Cu/Mn/Ni clusters needs to overcome an energy barrier, and the precipitate has a Core-Shell structure. The thermodynamic properties of the critical nucleus are influenced by temperature and Cu/Mn/Ni overall concentrations, which are in accordance with the simulation results as well as the experimental observations.},
doi = {10.1016/j.jnucmat.2018.04.018},
journal = {Journal of Nuclear Materials},
issn = {0022-3115},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {4}
}

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