Study of Ce-P Cosegregation on Grain Boundaries by AES and Computer Modelling
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摘要: 用俄歇能譜分析(AES),結合計算機模擬技術研究稀土元素Ce與雜質元素P在鐵中的晶界共偏聚規律。實驗結果表明,在P含量較低的情況下,Ce有抑制P晶界偏聚的作用,而當P含量較高時,Ce卻有促進P晶界偏聚的作用。計算機模擬結果表明,當晶界上P的偏聚量不同時,Ce原子與P原子在晶界形成的偏聚結構不同。Ce對P在晶界偏聚作用的改變主要是因為晶界偏聚的P濃度不同使Ce與P晶界共偏聚所形成的最低能量結構改變。Abstract: The Ce and P cosegregation on the grain boundaries in a-iron was studied by Auger Electron Syectroscopy (AES) and computer modelling method. The result shows that in case of low P content in the alloys (P<0.07wt%), Ce reduces the grain boundary segregation of P, but in the high P alloys (P>0.10wt%), Ce enhances the segregation of P. The computer modelling of this phenomenon indicates that the segregation structure of Ce and P on the grain boundary varies with the change of P content on the boundary. The main reason of the change of the interaction between Ce and P on the grain boundary is that the lowest energy structure of Ce-P cosegregation varies.
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Key words:
- cerium /
- phosphorus /
- grain boundary segregation /
- AES analysis
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