New MgO-H2O compounds at extreme conditions

doi:10.1088/1674-1056/ace035

中国物理B ›› 2023, Vol. 32 ›› Issue (7): 76201-076201.doi: 10.1088/1674-1056/ace035

New MgO-H₂O compounds at extreme conditions

Lanci Guo(郭兰慈) and Jurong Zhang(张车荣)^†

School of Physics and Electronics, Shandong Normal University, Jinan 250014, China

收稿日期:2023-04-17 修回日期:2023-06-20 接受日期:2023-06-21 出版日期:2023-06-15 发布日期:2023-06-29
通讯作者: Jurong Zhang E-mail:zjr@calypso.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 12204280 and 12147135), the Natural Science Foundation of Shandong Province of China (Grant No. ZR202103010004), and the Postdoctoral Science Foundation of China (Grant No. 2021M691980).

New MgO-H₂O compounds at extreme conditions

Lanci Guo(郭兰慈) and Jurong Zhang(张车荣)^†

School of Physics and Electronics, Shandong Normal University, Jinan 250014, China

Received:2023-04-17 Revised:2023-06-20 Accepted:2023-06-21 Online:2023-06-15 Published:2023-06-29
Contact: Jurong Zhang E-mail:zjr@calypso.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 12204280 and 12147135), the Natural Science Foundation of Shandong Province of China (Grant No. ZR202103010004), and the Postdoctoral Science Foundation of China (Grant No. 2021M691980).

1. 2023-076201-SI.pdf(397KB)

摘要/Abstract

摘要： The reaction of water and other materials has been the central topic under high-pressure physics research, because the Earth, super-Earth, Uranus, Neptune and other planets contain a great amount of water inside. However, the reaction between star-rich MgO and water under ultra-high pressure remains still poorly understood. Here, using ab initio evolutionary structure prediction researches of the structures of MgO-H₂O system at 300 GPa-600 GPa, we find that (MgO)₂H₂O and MgO(H₂O)₂ could become stable. The (MgO)₂H₂O compounds may be an important component of super-Earth and the ice-rock boundary of Uranus and Neptune. Furthermore, it may be the reservoir under high pressure before the forming of the Earth's core or other super-Earths. The current findings could expand our knowledge and improve our understanding of the evolution and composition of planets.

关键词: high pressure, structure prediction, crystal structure

Abstract: The reaction of water and other materials has been the central topic under high-pressure physics research, because the Earth, super-Earth, Uranus, Neptune and other planets contain a great amount of water inside. However, the reaction between star-rich MgO and water under ultra-high pressure remains still poorly understood. Here, using ab initio evolutionary structure prediction researches of the structures of MgO-H₂O system at 300 GPa-600 GPa, we find that (MgO)₂H₂O and MgO(H₂O)₂ could become stable. The (MgO)₂H₂O compounds may be an important component of super-Earth and the ice-rock boundary of Uranus and Neptune. Furthermore, it may be the reservoir under high pressure before the forming of the Earth's core or other super-Earths. The current findings could expand our knowledge and improve our understanding of the evolution and composition of planets.

Key words: high pressure, structure prediction, crystal structure

中图分类号: (High-pressure effects in solids and liquids)

62.50.-p

71.20.-b (Electron density of states and band structure of crystalline solids) 88.10.gc (Simulation; prediction models) 64.70.K (Solid-solid transitions)

Lanci Guo(郭兰慈) and Jurong Zhang(张车荣). New MgO-H₂O compounds at extreme conditions[J]. 中国物理B, 2023, 32(7): 76201-076201.

Lanci Guo(郭兰慈) and Jurong Zhang(张车荣). New MgO-H₂O compounds at extreme conditions[J]. Chin. Phys. B, 2023, 32(7): 76201-076201.

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New MgO-H₂O compounds at extreme conditions

New MgO-H₂O compounds at extreme conditions

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