TY - JOUR
T1 - Cluster dynamics modeling of Mn-Ni-Si precipitates coupled with radiation-induced segregation in low-Cu reactor pressure vessel steels
AU - Ke, Jia Hong
AU - Spencer, Benjamin W.
N1 - Funding Information:
We would like to thank Prof. G. Robert Odette, Prof. Dane Morgan, and Dr. Laurent Capolungo for valuable discussions. We also thank Dr. Luca Messina for discussion about the dumbbell-assisted diffusion of Mn and the use of the calculated mixed dumbbell partition function. This work was funded by the U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program. This research made use of the resources of the High Performance Computing Center at Idaho National Laboratory, which is supported by the Office of Nuclear Energy of the U.S. Department of Energy and the Nuclear Science User Facilities under Contract No. DE-AC07-05ID14517. This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.
Funding Information:
We would like to thank Prof. G. Robert Odette, Prof. Dane Morgan, and Dr. Laurent Capolungo for valuable discussions. We also thank Dr. Luca Messina for discussion about the dumbbell-assisted diffusion of Mn and the use of the calculated mixed dumbbell partition function. This work was funded by the U.S. Department of Energy's Nuclear Energy Advanced Modeling and Simulation program. This research made use of the resources of the High Performance Computing Center at Idaho National Laboratory, which is supported by the Office of Nuclear Energy of the U.S. Department of Energy and the Nuclear Science User Facilities under Contract No. DE-AC07-05ID14517. This manuscript has been authored by Battelle Energy Alliance, LLC under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes.
Publisher Copyright:
© 2022 Elsevier B.V.
PY - 2022/10
Y1 - 2022/10
N2 - Formation of precipitates enhanced or induced by irradiation causes hardening and embrittlement of nuclear structural materials. Post-irradiation microstructure characterization of reactor pressure vessel (RPV) steels has shown that precipitation can be strongly associated with radiation-induced segregation (RIS) of solutes on dislocations. However, the effect of RIS on the kinetics of Mn-Ni-Si precipitation has not been quantified and coupled in previous model predictions. In this study, a new hybrid and spatially-dependent precipitation model is developed that couples cluster dynamics with RIS with transport coefficients of diffusion mediated by vacancies and interstitials. The new approach provides a unique way to account for concurrent evolution of heterogeneous cluster densities as well as solute and point defect concentration profiles. The model is applied to study the segregation of Mn, Ni, and Si on dislocations and heterogeneous nucleation of Mn-Ni-Si rich precipitates (MNSPs) in a low-Cu RPV steel. The RIS result shows that the segregation tendency is dominated by the vacancy mechanism for Mn, Ni, and Si. The coupled cluster dynamics modeling result shows that the onset of MNSP nucleation on dislocations depends strongly on RIS and occurs at the fluence of 2×1023 n·m−2. The number density and mean radius can reach ∼1024m−3 and 1−2 nm at high fluence, respectively. These observations suggest that the role of RIS and heterogeneous nucleation can be significant for RPV steels under high neutron fluence. Results of simulations adopting various dose rates and dislocation densities show an increased fraction of MNSPs on dislocations at the condition of low dose rate, high dislocation density, and high fluence.
AB - Formation of precipitates enhanced or induced by irradiation causes hardening and embrittlement of nuclear structural materials. Post-irradiation microstructure characterization of reactor pressure vessel (RPV) steels has shown that precipitation can be strongly associated with radiation-induced segregation (RIS) of solutes on dislocations. However, the effect of RIS on the kinetics of Mn-Ni-Si precipitation has not been quantified and coupled in previous model predictions. In this study, a new hybrid and spatially-dependent precipitation model is developed that couples cluster dynamics with RIS with transport coefficients of diffusion mediated by vacancies and interstitials. The new approach provides a unique way to account for concurrent evolution of heterogeneous cluster densities as well as solute and point defect concentration profiles. The model is applied to study the segregation of Mn, Ni, and Si on dislocations and heterogeneous nucleation of Mn-Ni-Si rich precipitates (MNSPs) in a low-Cu RPV steel. The RIS result shows that the segregation tendency is dominated by the vacancy mechanism for Mn, Ni, and Si. The coupled cluster dynamics modeling result shows that the onset of MNSP nucleation on dislocations depends strongly on RIS and occurs at the fluence of 2×1023 n·m−2. The number density and mean radius can reach ∼1024m−3 and 1−2 nm at high fluence, respectively. These observations suggest that the role of RIS and heterogeneous nucleation can be significant for RPV steels under high neutron fluence. Results of simulations adopting various dose rates and dislocation densities show an increased fraction of MNSPs on dislocations at the condition of low dose rate, high dislocation density, and high fluence.
KW - Cluster dynamics
KW - Precipitation
KW - Radiation effects
KW - Radiation-induced segregation
KW - Reactor pressure vessel steels
UR - https://www.scopus.com/pages/publications/85134432670
UR - https://www.mendeley.com/catalogue/30a3d90f-313f-3572-a1af-8186bfa28e83/
U2 - 10.1016/j.jnucmat.2022.153910
DO - 10.1016/j.jnucmat.2022.153910
M3 - Article
AN - SCOPUS:85134432670
SN - 0022-3115
VL - 569
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
M1 - 153910
ER -