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Title: Simulations of irradiated-enhanced segregation and phase separation in Fe–Cu–Mn alloys

Abstract

For reactor pressure vessel steels, the addition of Cu, Mn, and Ni has a positive effect on mechanical, corrosion and radiation resistance properties. However, experiments show that radiation-enhanced segregation and/or phase separation is one of important material property degradation processes. In this work, we developed a model integrating rate theory and phase-field approaches to investigate the effect of irradiation on solute segregation and phase separation. The rate theory is used to describe the accumulation and clustering of radiation defects while the phase-field approach describes the effect of radiation defects on phase stability and microstructure evolution. The Fe-Cu-Mn ternary alloy is taken as a model system. The free energies used in the phase-field model are from CALPHAD. Spatial dependent radiation damage from atomistic simulations is introduced into the simulation cell for a given radiation dose rate. The radiation effect on segregation and phase separation is taken into account through the defect concentration dependence of solute mobility. With the model the effect of temperatures and radiation rates on Cu and Mn segregation and Cu-rich phase nucleation are systematically investigated. The segregation and nucleation mechanisms are analyzed. The simulations demonstrated that the nucleus of Cu precipitates has a core-shell composition profile, i.e., Cumore » rich at center and Mn rich at the interface, in good agreement with the theoretical calculation as well as experimental observations.« less

Authors:
; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1398191
Report Number(s):
PNNL-SA-128919
Journal ID: ISSN 0965-0393
DOE Contract Number:
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Modelling and Simulation in Materials Science and Engineering; Journal Volume: 25; Journal Issue: 6
Country of Publication:
United States
Language:
English

Citation Formats

Li, Boyan, Hu, Shenyang, Li, Chengliang, Li, Qiulin, Chen, Jun, Shu, Guogang, Henager, Chuck, Weng, Yuqing, Xu, Ben, and Liu, Wei. Simulations of irradiated-enhanced segregation and phase separation in Fe–Cu–Mn alloys. United States: N. p., 2017. Web. doi:10.1088/1361-651X/aa7197.
Li, Boyan, Hu, Shenyang, Li, Chengliang, Li, Qiulin, Chen, Jun, Shu, Guogang, Henager, Chuck, Weng, Yuqing, Xu, Ben, & Liu, Wei. Simulations of irradiated-enhanced segregation and phase separation in Fe–Cu–Mn alloys. United States. doi:10.1088/1361-651X/aa7197.
Li, Boyan, Hu, Shenyang, Li, Chengliang, Li, Qiulin, Chen, Jun, Shu, Guogang, Henager, Chuck, Weng, Yuqing, Xu, Ben, and Liu, Wei. Tue . "Simulations of irradiated-enhanced segregation and phase separation in Fe–Cu–Mn alloys". United States. doi:10.1088/1361-651X/aa7197.
@article{osti_1398191,
title = {Simulations of irradiated-enhanced segregation and phase separation in Fe–Cu–Mn alloys},
author = {Li, Boyan and Hu, Shenyang and Li, Chengliang and Li, Qiulin and Chen, Jun and Shu, Guogang and Henager, Chuck and Weng, Yuqing and Xu, Ben and Liu, Wei},
abstractNote = {For reactor pressure vessel steels, the addition of Cu, Mn, and Ni has a positive effect on mechanical, corrosion and radiation resistance properties. However, experiments show that radiation-enhanced segregation and/or phase separation is one of important material property degradation processes. In this work, we developed a model integrating rate theory and phase-field approaches to investigate the effect of irradiation on solute segregation and phase separation. The rate theory is used to describe the accumulation and clustering of radiation defects while the phase-field approach describes the effect of radiation defects on phase stability and microstructure evolution. The Fe-Cu-Mn ternary alloy is taken as a model system. The free energies used in the phase-field model are from CALPHAD. Spatial dependent radiation damage from atomistic simulations is introduced into the simulation cell for a given radiation dose rate. The radiation effect on segregation and phase separation is taken into account through the defect concentration dependence of solute mobility. With the model the effect of temperatures and radiation rates on Cu and Mn segregation and Cu-rich phase nucleation are systematically investigated. The segregation and nucleation mechanisms are analyzed. The simulations demonstrated that the nucleus of Cu precipitates has a core-shell composition profile, i.e., Cu rich at center and Mn rich at the interface, in good agreement with the theoretical calculation as well as experimental observations.},
doi = {10.1088/1361-651X/aa7197},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 6,
volume = 25,
place = {United States},
year = {Tue Jun 13 00:00:00 EDT 2017},
month = {Tue Jun 13 00:00:00 EDT 2017}
}