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.
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).
Lanci Guo(郭兰慈) and Jurong Zhang(张车荣) New MgO-H2O compounds at extreme conditions 2023 Chin. Phys. B 32 076201
[1] Pearson D, Brenker F, Nestola F, McNeill J, Nasdala L, Hutchison M, Matveev S, Mather K, Silversmit G and Schmitz S 2014 Nature507 221 [2] Ohtani E 2020 Natl. Sci. Rev.7 224 [3] Hubbard W 1981 Science214 145 [4] Li H F, Oganov A R, Cui H, Zhou X F, Dong X and Wang H T 2022 Phys. Rev. Lett.128 035703 [5] Guillot T 2005 Annu. Rev. Earth Planet. Sci.33 493 [6] Redmer R, Mattsson T R, Nettelmann N and French M 2011 Icar211 798 [7] Gao H, Liu C, Shi J, Pan S, Huang T, Lu X, Wang H T, Xing D and Sun J 2022 Phys. Rev. Lett.128 035702 [8] Kim T, Chariton S, Prakapenka V, Pakhomova A, Liermann H P, Liu Z, Speziale S, Shim S H and Lee Y 2021 Nat. Astron.5 815 [9] Fiquet G 2001 Z. Krist-Cryst. Mater.216 248 [10] Immoor J, Miyagi L, Liermann H P, Speziale S, Schulze K, Buchen J, Kurnosov A and Marquardt H 2022 Nature603 276 [11] McDonough W F and Sun S S 1995 Chem. Geol.120 223 [12] Podolak M, Weizman A and Marley M 1995 Planet. Space Sci.43 1517 [13] Duffy T S, Hemley R J and Mao H k 1995 Phys. Rev. Lett.74 1371 [14] Zhu Q, Oganov A R and Lyakhov A O 2013 Phys. Chem. Chem. Phys.15 7696 [15] Belonoshko A B, Arapan S, Martonak R and Rosengren A 2010 Phys. Rev. B81 054110 [16] Benoit M, Bernasconi M, Focher P and Parrinello M 1996 Phys. Rev. Lett.76 2934 [17] Huang P, Liu H, Lv J, Li Q, Long C, Wang Y, Chen C, Hemley R J and Ma Y 2020 Proc. Natl. Acad. Sci. USA117 5638 [18] Hermann A and Mookherjee M 2016 Proc. Natl. Acad. Sci. USA113 13971 [19] Wang Y C, Lv J, Zhu L and Ma Y M 2010 Phys. Rev. B82 094116 [20] Wang Y, Lv J, Zhu L and Ma Y 2012 Comput. Phys. Commun.183 2063 [21] Zhang J, Liu H, Ma Y and Chen C 2022 Natl. Sci. Rev.9 nwab168 [22] Liu H, Naumov I I, Hoffmann R, Ashcroft N and Hemley R J 2017 Proc. Natl. Acad. Sci. USA114 6990 [23] Liu S, Gao P, Hermann A, Yang G, Lü J, Ma Y, Mao H K and Wang Y 2022 Sci. Bull.67 971 [24] Zhong X, Sun Y, Iitaka T, Xu M, Liu H, Hemley R J, Chen C and Ma Y 2022 J. Am. Chem. Soc.144 13394 [25] Cui W and Li Y 2019 Chin. Phys. B28 107104 [26] Shuai H S D, Liu Y X, Wang C, Chen X, Sun H R and Liu X B 2023 Chin. Phys. B32 16101 [27] Kresse G and Furthmüller J 1996 Phys. Rev. B54 11169 [28] Perdew J P and Wang Y 1992 Phys. Rev. B45 13244 [29] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett.77 3865 [30] Togo A, Oba F and Tanaka I 2008 Phys. Rev. B78 134106 [31] Pan S, Huang T, Vazan A, Liang Z, Liu C, Wang J, Pickard C J, Wang H T, Xing D and Sun J 2023 Nat. Commun.14 1165 [32] Nettelmann N, Helled R, Fortney J and Redmer R 2013 Planet. Space Sci.77 143 [33] French M, Mattsson T R and Redmer R 2010 Phys. Rev. B82 174108 [34] Chau R, Hamel S and Nellis W J 2011 Nat. Commun.2 203 [35] Nellis W 2017 J. Phys.: Conf. Ser.950 042046 [36] Dorn C, Hinkel N R and Venturini J 2017 Astron. Astrophys.597 A38 [37] Van Hoolst T, Noack L and Rivoldini A 2019 Adv. Phys. X4 1630316
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
