Liu Xuxi, Shen Wenlong, Liu Wenbo
Department of Nuclear Science and Technology, Xi'an Jiaotong University, Xi'an 710049, China.
Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology, Xi'an Jiaotong University, Xi'an 710049, China.
Nanomaterials (Basel). 2024 Jul 14;14(14):1198. doi: 10.3390/nano14141198.
A phase-field model for the precipitation of Fe-Cr-Al alloy is established incorporating grain boundary (GB) effects and irradiation-accelerated diffusion. The radiation source and grain boundary effect are incorporated to broaden the applicability of the Fe-Cr-Al precipitated phase-field model. The model is firstly employed to simulate the precipitation of the Cr-rich α' phase in a single-crystal alloy. The precipitation rate and the size distribution of the precipitated phase were analyzed. Subsequently, the model is utilized to simulate segregation at GBs in a double-crystal system, analyzing the enrichment of Cr and depletion of Al near these boundaries. The simulation results are consistent with experimental observations reported in the references. Finally, the model is applied to simulate the precipitation in a polycrystalline Fe-Cr-Al system. The simulated results revealed that the presence of GBs induces the formation of localized regions with enhanced Cr and Al content as well as depleted zones adjacent to these boundaries. GBs also diminish both the quantity and precipitation rate of the formed phase within the grains.
建立了一个考虑晶界（GB）效应和辐照加速扩散的Fe-Cr-Al合金析出相场模型。引入辐射源和晶界效应以拓宽Fe-Cr-Al析出相场模型的适用性。该模型首先用于模拟单晶合金中富Cr的α'相的析出。分析了析出相的析出速率和尺寸分布。随后，利用该模型模拟双晶系统中晶界处的偏析，分析这些边界附近Cr的富集和Al的贫化。模拟结果与参考文献中报道的实验观察结果一致。最后，将该模型应用于模拟多晶Fe-Cr-Al系统中的析出。模拟结果表明，晶界的存在导致形成了Cr和Al含量增加的局部区域以及与这些边界相邻的贫化区域。晶界还减少了晶粒内形成相的数量和析出速率。
