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中子辐照下剂量率对铜沉淀影响的相场模拟

Phase-field simulation of dose rate effect on the Cu precipitation with neutron irradiation.

作者信息

Maqbool Shahid, Li Yongsheng, Muhammad Suleman, Yan Zhengwei, Shi Shujing

机构信息

School of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.

出版信息

Phys Chem Chem Phys. 2021 Feb 25;23(7):4217-4229. doi: 10.1039/d0cp05777k.

Abstract

Radiation-enhanced precipitation (REP) of Cu in Fe-Cu alloys results in hardening and degradation of the mechanical properties. By combining the CALPHAD-based free energy for phase-field modeling, and radiation-enhanced diffusion (RED) with neutron irradiating energetic particle, the precipitation of Cu in binary Fe-Cu alloys is studied under different dose rates, concentrations, and temperatures. Rate theory (RT) provides the RED that serves as an input parameter for the phase-field simulation to capture the morphology of the precipitates. The REP results agree with the theoretical predictions: the increase in the dose rates increases the concentration of defects, and accelerates the kinetics of precipitation. The simulation predicts the stability of the precipitates even under high damage rates. The increase in radius is achieved for high damage rates. Precipitate dissolution is observed to be dependent on the combination of dose rate, concentration, and temperature. The work also outlines the limitations of the model and the potential future improvements.

摘要

铁铜合金中铜的辐射增强析出(REP)会导致材料硬化和力学性能退化。通过将基于CALPHAD的相场建模自由能与中子辐照高能粒子引起的辐射增强扩散(RED)相结合,研究了二元铁铜合金在不同剂量率、浓度和温度下铜的析出情况。速率理论(RT)提供了RED,它作为相场模拟的输入参数,用于捕捉析出物的形态。REP结果与理论预测一致:剂量率的增加会增加缺陷浓度,并加速析出动力学。模拟预测了即使在高损伤率下析出物的稳定性。在高损伤率下,析出物半径会增大。观察到析出物的溶解取决于剂量率、浓度和温度的组合。这项工作还概述了该模型的局限性以及未来可能的改进方向。

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