| CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES |
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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 |
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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.
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Received: 17 April 2023
Revised: 20 June 2023
Accepted manuscript online: 21 June 2023
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PACS:
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62.50.-p
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(High-pressure effects in solids and liquids)
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71.20.-b
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(Electron density of states and band structure of crystalline solids)
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88.10.gc
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(Simulation; prediction models)
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64.70.K
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(Solid-solid transitions)
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| Fund: 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). |
Corresponding Authors:
Jurong Zhang
E-mail: zjr@calypso.cn
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Cite this article:
Lanci Guo(郭兰慈) and Jurong Zhang(张车荣) New MgO-H2O compounds at extreme conditions 2023 Chin. Phys. B 32 076201
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