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Magnesium oxide-water compounds at megabar pressure and implications on planetary interiors

Author

Listed:
  • Shuning Pan

    (Nanjing University)

  • Tianheng Huang

    (Nanjing University)

  • Allona Vazan

    (Astrophysics Research Center of the Open University (ARCO), The Open University of Israel)

  • Zhixin Liang

    (Nanjing University)

  • Cong Liu

    (Nanjing University)

  • Junjie Wang

    (Nanjing University)

  • Chris J. Pickard

    (Theory of Condensed Matter Group, Cavendish Laboratory, J. J. Thomson Avenue
    Tohoku University 2-1-1 Katahira, Aoba)

  • Hui-Tian Wang

    (Nanjing University)

  • Dingyu Xing

    (Nanjing University)

  • Jian Sun

    (Nanjing University)

Abstract

Magnesium Oxide (MgO) and water (H2O) are abundant in the interior of planets. Their properties, and in particular their interaction, significantly affect the planet interior structure and thermal evolution. Here, using crystal structure predictions and ab initio molecular dynamics simulations, we find that MgO and H2O can react again at ultrahigh pressure, although Mg(OH)2 decomposes at low pressure. The reemergent MgO-H2O compounds are: Mg2O3H2 above 400 GPa, MgO3H4 above 600 GPa, and MgO4H6 in the pressure range of 270–600 GPa. Importantly, MgO4H6 contains 57.3 wt % of water, which is a much higher water content than any reported hydrous mineral. Our results suggest that a substantial amount of water can be stored in MgO rock in the deep interiors of Earth to Neptune mass planets. Based on molecular dynamics simulations we show that these three compounds exhibit superionic behavior at the pressure-temperature conditions as in the interiors of Uranus and Neptune. Moreover, the water-rich compound MgO4H6 could be stable inside the early Earth and therefore may serve as a possible early Earth water reservoir. Our findings, in the poorly explored megabar pressure regime, provide constraints for interior and evolution models of wet planets in our solar system and beyond.

Suggested Citation

  • Shuning Pan & Tianheng Huang & Allona Vazan & Zhixin Liang & Cong Liu & Junjie Wang & Chris J. Pickard & Hui-Tian Wang & Dingyu Xing & Jian Sun, 2023. "Magnesium oxide-water compounds at megabar pressure and implications on planetary interiors," Nature Communications, Nature, vol. 14(1), pages 1-9, December.
  • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-36802-8
    DOI: 10.1038/s41467-023-36802-8
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    References listed on IDEAS

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    1. Federico Grasselli & Lars Stixrude & Stefano Baroni, 2020. "Heat and charge transport in H2O at ice-giant conditions from ab initio molecular dynamics simulations," Nature Communications, Nature, vol. 11(1), pages 1-7, December.
    2. Marius Millot & Federica Coppari & J. Ryan Rygg & Antonio Correa Barrios & Sebastien Hamel & Damian C. Swift & Jon H. Eggert, 2019. "Nanosecond X-ray diffraction of shock-compressed superionic water ice," Nature, Nature, vol. 569(7755), pages 251-255, May.
    3. Wei Fang & Ji Chen & Philipp Pedevilla & Xin-Zheng Li & Jeremy O. Richardson & Angelos Michaelides, 2020. "Origins of fast diffusion of water dimers on surfaces," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    4. D. G. Pearson & F. E. Brenker & F. Nestola & J. McNeill & L. Nasdala & M. T. Hutchison & S. Matveev & K. Mather & G. Silversmit & S. Schmitz & B. Vekemans & L. Vincze, 2014. "Hydrous mantle transition zone indicated by ringwoodite included within diamond," Nature, Nature, vol. 507(7491), pages 221-224, March.
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    Cited by:

    1. Kyla de Villa & Felipe González-Cataldo & Burkhard Militzer, 2023. "Double superionicity in icy compounds at planetary interior conditions," Nature Communications, Nature, vol. 14(1), pages 1-9, December.

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