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- W4385207924 abstract "SUMMARY Based on the first-principles method combined with Special Quasi-random Structures package, we investigated the effects of impurities distributions on the perovskite (Pv)–post-perovskite (PPv) phase transition pressures of Fe- and Al-bearing MgSiO3. 61 different distribution configurations were calculated. The results show that the distribution has marginal effect on the Pv–PPv phase transition pressure of Fe2+-bearing MgSiO3. However, the separate of Al3+Al3+ ions can significantly increase the Pv–PPv phase transition pressure to that higher than the core–mantle boundary (CMB) pressure. In the most disordered structures of Al3+Al3+-bearing case constructed by SQS, the Pv–PPv phase transition pressure is higher than 400 GPa. Based on our previous result, we proposed that only Fe2+-bearing MgSiO3 can induce the discontinuous increase in shear wave velocity at the CMB, while Al3+Al3+-, Fe3+Al3+- and Fe3+Fe3+-bearing MgSiO3 cannot." @default.
- W4385207924 created "2023-07-25" @default.
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- W4385207924 date "2023-07-24" @default.
- W4385207924 modified "2023-09-27" @default.
- W4385207924 title "Effects of Fe and Al distributions on the Pv-PPv phase transition pressure of MgSiO3" @default.
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- W4385207924 doi "https://doi.org/10.1093/gji/ggad295" @default.
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