| Effect of Ni and vacancy concentration on initial formation of Cu precipitate in Fe–Cu–Ni ternary alloys by molecular dynamics simulation |
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| 引用本文： | 刘珂,胡丽娟,张巧凤,谢耀平,高超,董海英,梁婉怡.Effect of Ni and vacancy concentration on initial formation of Cu precipitate in Fe–Cu–Ni ternary alloys by molecular dynamics simulation[J].中国物理 B,2017,26(8):83601-083601. |
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| 作者姓名： | 刘珂 胡丽娟 张巧凤 谢耀平 高超 董海英 梁婉怡 |
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| 作者单位： | Key Laboratory for Microstructures and Institute of Materials Science, School of Materials Science and Engineering, Shanghai University, Shanghai 200072, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant No. 51301102) and the Science and Technology Commission of Shanghai Municipality, China (Grant No. 15ZR1416000). |
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| 摘 要： | In the present work, the effects of Ni atoms and vacancy concentrations(0.1%, 0.5%, 1.0%) on the formation process of Cu solute clusters are investigated for Fe–1.24%Cu–0.62%Ni alloys by molecular dynamics(MD) simulations. The presence of Ni is beneficial to the nucleation of Cu precipitates and has little effect on coarsening rate in the later stage of aging. This result is caused by reducing the diffusion coefficient of Cu clusters and the dynamic migration of Ni atoms. Additionally, there are little effects of Ni on Cu precipitates as the vacancy concentration reaches up to 1.0%,thereby explaining the embrittlement for reactor pressure vessel(RPV) steel. As a result, the findings can hopefully provide the important information about the essential mechanism of Cu cluster formation and a better understanding of ageing phenomenon of RPV steel. Furthermore, these original results are analyzed with a simple model of Cu diffusion, which suggests that the same behavior could be observed in Cu-containing alloys.
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| 收稿时间： | 2017-01-13 |
Effect of Ni and vacancy concentration on initial formation of Cu precipitate in Fe-Cu-Ni ternary alloys by molecular dynamics simulation |
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| Affiliation: | Key Laboratory for Microstructures and Institute of Materials Science, School of Materials Science and Engineering, Shanghai University, Shanghai 200072, China |
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| Abstract: | In the present work, the effects of Ni atoms and vacancy concentrations (0.1%, 0.5%, 1.0%) on the formation process of Cu solute clusters are investigated for Fe-1.24%Cu-0.62%Ni alloys by molecular dynamics (MD) simulations. The presence of Ni is beneficial to the nucleation of Cu precipitates and has little effect on coarsening rate in the later stage of aging. This result is caused by reducing the diffusion coefficient of Cu clusters and the dynamic migration of Ni atoms. Additionally, there are little effects of Ni on Cu precipitates as the vacancy concentration reaches up to 1.0%, thereby explaining the embrittlement for reactor pressure vessel (RPV) steel. As a result, the findings can hopefully provide the important information about the essential mechanism of Cu cluster formation and a better understanding of ageing phenomenon of RPV steel. Furthermore, these original results are analyzed with a simple model of Cu diffusion, which suggests that the same behavior could be observed in Cu-containing alloys. |
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| Keywords: | Cu precipitates vacancy concentration Fe-Cu-Ni alloys molecular dynamics |
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