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用俄歇能谱分析(AES),结合计算机模拟技术研究稀土元素Ce与杂质元素P在铁中的晶界共偏聚规律。实验结果表明,在P含量较低的情况下,Ce有抑制P晶界偏聚的作用,而当P含量较高时,Ce却有促进P晶界偏聚的作用。计算机模拟结果表明,当晶界上P的偏聚量不同时,Ce原子与P原子在晶界形成的偏聚结构不同。Ce对P在晶界偏聚作用的改变主要是因为晶界偏聚的P浓度不同使Ce与P晶界共偏聚所形成的最低能量结构改变。
Using Auger spectroscopy (AES), combined with computer simulation of rare earth elements Ce and impurity element P in the grain boundary segregation law of iron. The experimental results show that Ce has the effect of inhibiting the segregation of P grain boundaries when the content of P is low, while Ce has the effect of promoting the segregation of P grain boundaries when the content of P is high. Computer simulation results show that the segregation structures of Ce atoms and P atoms at the grain boundaries are different when the segregation of P on the grain boundaries is different. The effect of Ce on the segregation of P at the grain boundaries is mainly due to the change of the lowest energy structure formed by the co-segregation of Ce and P grain boundaries due to the different concentrations of P segregated at the grain boundaries.