期刊
JOURNAL OF NUCLEAR MATERIALS
卷 507, 期 -, 页码 59-67出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jnucmat.2018.04.018
关键词
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资金
- National Natural Science Foundation of China [51301094, 11622102, 11421110001]
- National Magnetic Confinement Fusion Science programme of China [51471092]
- China Nuclear Power Engineering Co., Ltd. [2013966003]
- Tsinghua National Laboratory for Information Science and Technology
- US DOE [DE-AC06-76RLO 1830]
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 work, 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. (C) 2018 Elsevier B.V. All rights reserved.
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