DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Large H2O solubility in dense silica and its implications for the interiors of water-rich planets

Abstract

Sub-Neptunes are common among the discovered exoplanets. However, lack of knowledge on the state of matter in H2O-rich setting at high pressures and temperatures (P-T) places important limitations on our understanding of this planet type. We have conducted experiments for reactions between SiO2 and H2O as archetypal materials for rock and ice, respectively, at high P-T. We found anomalously expanded volumes of dense silica (up to 4%) recovered from hydrothermal synthesis above~24 GPa where the CaCl2-type (Ct) structure appears at lower pressures than in the anhydrous system. Infrared spectroscopy identified strong OH modes from the dense silica samples. Both previous experiments and our density functional theory calculations support up to 0.48 hydrogen atoms per formula unit of (Si1-xH4x)O2 (x=0.12). At pressures above 60 GPa, H2O further changes the structural behavior of silica, stabilizing a niccolite-type structure, which is unquenchable. From unit-cell volume and phase equilibrium considerations, we infer that the niccolite-type phase may contain H with an amount at least comparable with or higher than that of the Ct phase. Our results suggest that the phases containing both hydrogen and lithophile elements could be the dominant materials in the interiors of water-rich planets. Even for fully layered cases, the largemore » mutual solubility could make the boundary between rock and ice layers fuzzy. Therefore, the physical properties of the new phases that we report here would be important for understanding dynamics, geochemical cycle, and dynamo generation in water-rich planets.« less

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1];  [1];  [2];  [3];  [2];  [4];  [2]; ORCiD logo [1]
  1. Arizona State Univ., Tempe, AZ (United States)
  2. Univ. of Chicago, IL (United States)
  3. Univ. of Chicago, IL (United States); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  4. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Illinois, Chicago, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP); National Science Foundation (NSF); National Aeronautics and Space Administration (NASA)
OSTI Identifier:
1755926
Alternate Identifier(s):
OSTI ID: 1778252
Grant/Contract Number:  
AC02-06CH11357; FG02-94ER14466; NA0001974; EAR1338810; EAR-1128799; 80NSSC18K0353; NA0003975
Resource Type:
Accepted Manuscript
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Volume: 117; Journal Issue: 18; Journal ID: ISSN 0027-8424
Publisher:
National Academy of Sciences
Country of Publication:
United States
Language:
English
Subject:
79 ASTRONOMY AND ASTROPHYSICS; exoplanets; silica; sub-Neptunes; water; waterworlds

Citation Formats

Nisr, Carole, Chen, Huawei, Leinenweber, Kurt, Chizmeshya, Andrew, Prakapenka, Vitali B., Prescher, Clemens, Tkachev, Sergey N., Meng, Yue, Liu, Zhenxian, and Shim, Sang-Heon. Large H2O solubility in dense silica and its implications for the interiors of water-rich planets. United States: N. p., 2020. Web. doi:10.1073/pnas.1917448117.
Nisr, Carole, Chen, Huawei, Leinenweber, Kurt, Chizmeshya, Andrew, Prakapenka, Vitali B., Prescher, Clemens, Tkachev, Sergey N., Meng, Yue, Liu, Zhenxian, & Shim, Sang-Heon. Large H2O solubility in dense silica and its implications for the interiors of water-rich planets. United States. https://doi.org/10.1073/pnas.1917448117
Nisr, Carole, Chen, Huawei, Leinenweber, Kurt, Chizmeshya, Andrew, Prakapenka, Vitali B., Prescher, Clemens, Tkachev, Sergey N., Meng, Yue, Liu, Zhenxian, and Shim, Sang-Heon. Mon . "Large H2O solubility in dense silica and its implications for the interiors of water-rich planets". United States. https://doi.org/10.1073/pnas.1917448117. https://www.osti.gov/servlets/purl/1755926.
@article{osti_1755926,
title = {Large H2O solubility in dense silica and its implications for the interiors of water-rich planets},
author = {Nisr, Carole and Chen, Huawei and Leinenweber, Kurt and Chizmeshya, Andrew and Prakapenka, Vitali B. and Prescher, Clemens and Tkachev, Sergey N. and Meng, Yue and Liu, Zhenxian and Shim, Sang-Heon},
abstractNote = {Sub-Neptunes are common among the discovered exoplanets. However, lack of knowledge on the state of matter in H2O-rich setting at high pressures and temperatures (P-T) places important limitations on our understanding of this planet type. We have conducted experiments for reactions between SiO2 and H2O as archetypal materials for rock and ice, respectively, at high P-T. We found anomalously expanded volumes of dense silica (up to 4%) recovered from hydrothermal synthesis above~24 GPa where the CaCl2-type (Ct) structure appears at lower pressures than in the anhydrous system. Infrared spectroscopy identified strong OH modes from the dense silica samples. Both previous experiments and our density functional theory calculations support up to 0.48 hydrogen atoms per formula unit of (Si1-xH4x)O2 (x=0.12). At pressures above 60 GPa, H2O further changes the structural behavior of silica, stabilizing a niccolite-type structure, which is unquenchable. From unit-cell volume and phase equilibrium considerations, we infer that the niccolite-type phase may contain H with an amount at least comparable with or higher than that of the Ct phase. Our results suggest that the phases containing both hydrogen and lithophile elements could be the dominant materials in the interiors of water-rich planets. Even for fully layered cases, the large mutual solubility could make the boundary between rock and ice layers fuzzy. Therefore, the physical properties of the new phases that we report here would be important for understanding dynamics, geochemical cycle, and dynamo generation in water-rich planets.},
doi = {10.1073/pnas.1917448117},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 18,
volume = 117,
place = {United States},
year = {Mon Apr 20 00:00:00 EDT 2020},
month = {Mon Apr 20 00:00:00 EDT 2020}
}

Works referenced in this record:

High pressure fluids in the system MgO–SiO2–H2O under upper mantle conditions
journal, February 2001

  • Stalder, R.; Ulmer, P.; Thompson, A.
  • Contributions to Mineralogy and Petrology, Vol. 140, Issue 5
  • DOI: 10.1007/s004100000212

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Dry (Mg,Fe)SiO 3 perovskite in the Earth's lower mantle
journal, February 2015

  • Panero, Wendy R.; Pigott, Jeffrey S.; Reaman, Daniel M.
  • Journal of Geophysical Research: Solid Earth, Vol. 120, Issue 2
  • DOI: 10.1002/2014JB011397

New high-pressure modifications of GeO 2 and SiO 2
journal, January 1978

  • Liu, Lin-Gun; Bassett, William A.; Sharry, John
  • Journal of Geophysical Research, Vol. 83, Issue B5
  • DOI: 10.1029/JB083iB05p02301

Prediction of novel stable compounds in the Mg-Si-O system under exoplanet pressures
journal, December 2015

  • Niu, Haiyang; Oganov, Artem R.; Chen, Xing-Qiu
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep18347

Phase transitions in MgSiO3 post-perovskite in super-Earth mantles
journal, November 2017

  • Umemoto, Koichiro; Wentzcovitch, Renata M.; Wu, Shunqing
  • Earth and Planetary Science Letters, Vol. 478
  • DOI: 10.1016/j.epsl.2017.08.032

Projector augmented-wave method
journal, December 1994


FeO2 and FeOOH under deep lower-mantle conditions and Earth’s oxygen–hydrogen cycles
journal, June 2016

  • Hu, Qingyang; Kim, Duck Young; Yang, Wenge
  • Nature, Vol. 534, Issue 7606
  • DOI: 10.1038/nature18018

Observed Properties of Extrasolar Planets
journal, May 2013


Raman spectroscopy of water-rich stishovite and dense high-pressure silica up to 55 GPa
journal, November 2017

  • Nisr, Carole; Shim, Sang-Heon; Leinenweber, Kurt
  • American Mineralogist, Vol. 102, Issue 11
  • DOI: 10.2138/am-2017-5944

The atomic simulation environment—a Python library for working with atoms
journal, June 2017

  • Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob
  • Journal of Physics: Condensed Matter, Vol. 29, Issue 27
  • DOI: 10.1088/1361-648X/aa680e

The Compositional Diversity of Extrasolar Terrestrial Planets. i. in situ Simulations
journal, May 2010


Formation of hydrous stishovite from coesite in high-pressure hydrothermal environments
journal, November 2016

  • Spektor, Kristina; Nylen, Johanna; Mathew, Renny
  • American Mineralogist, Vol. 101, Issue 11
  • DOI: 10.2138/am-2016-5609

Uranus evolution models with simple thermal boundary layers
journal, September 2016


Fe2N-type SiO2 from shocked quartz
journal, February 1987


New developments in laser-heated diamond anvil cell with in situ synchrotron x-ray diffraction at High Pressure Collaborative Access Team
journal, July 2015

  • Meng, Yue; Hrubiak, Rostislav; Rod, Eric
  • Review of Scientific Instruments, Vol. 86, Issue 7
  • DOI: 10.1063/1.4926895

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
journal, June 2010


Ultrahydrous stishovite from high-pressure hydrothermal treatment of SiO2
journal, December 2011

  • Spektor, K.; Nylen, J.; Stoyanov, E.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 52
  • DOI: 10.1073/pnas.1117152108

Equations of state of MgO, Au, Pt, NaCl-B1, and NaCl-B2: Internally consistent high-temperature pressure scales
journal, December 2007


Water distribution across the mantle transition zone and its implications for global material circulation
journal, January 2011


Stability of hydrous silicate at high pressures and water transport to the deep lower mantle
journal, February 2014

  • Nishi, M.; Irifune, T.; Tsuchiya, J.
  • Nature Geoscience, Vol. 7, Issue 3
  • DOI: 10.1038/ngeo2074

Stability, metastability, and elastic properties of a dense silica polymorph, seifertite: PROPERTIES OF SEIFERTITE
journal, September 2013

  • Grocholski, B.; Shim, S. -H.; Prakapenka, V. B.
  • Journal of Geophysical Research: Solid Earth, Vol. 118, Issue 9
  • DOI: 10.1002/jgrb.50360

DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015


Post-stishovite transition in hydrous aluminous SiO2
journal, June 2016

  • Umemoto, Koichiro; Kawamura, Katsuyuki; Hirose, Kei
  • Physics of the Earth and Planetary Interiors, Vol. 255
  • DOI: 10.1016/j.pepi.2016.03.008

Phase transition and equation of state of dense hydrous silica up to 63 GPa: DENSE HYDROUS PURE SILICA
journal, September 2017

  • Nisr, C.; Leinenweber, K.; Prakapenka, V.
  • Journal of Geophysical Research: Solid Earth, Vol. 122, Issue 9
  • DOI: 10.1002/2017JB014055

Symmetrization driven spin transition in ε-FeOOH at high pressure
journal, October 2013


Fe-Mg Interdiffusion in (Mg,Fe)SiO3 Perovskite and Lower Mantle Reequilibration
journal, September 2005


A super-Earth transiting a nearby low-mass star
journal, December 2009

  • Charbonneau, David; Berta, Zachory K.; Irwin, Jonathan
  • Nature, Vol. 462, Issue 7275
  • DOI: 10.1038/nature08679

Thermodynamics of SiO2–H2O fluid near the upper critical end point from quartz solubility measurements at 10 kbar
journal, September 2008


Post-stishovite phase boundary in SiO2 determined by in situ X-ray observations
journal, April 2002


Water partitioning between bridgmanite and postperovskite in the lowermost mantle
journal, November 2016

  • Townsend, Joshua P.; Tsuchiya, Jun; Bina, Craig R.
  • Earth and Planetary Science Letters, Vol. 454
  • DOI: 10.1016/j.epsl.2016.08.009

Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Subduction of continental crust and terrigenous and pelagic sediments: an experimental study
journal, September 1994


Explaining the low luminosity of Uranus: a self-consistent thermal and structural evolution
journal, January 2020


Inward migration of the TRAPPIST-1 planets as inferred from their water-rich compositions
journal, March 2018

  • Unterborn, Cayman T.; Desch, Steven J.; Hinkel, Natalie R.
  • Nature Astronomy, Vol. 2, Issue 4
  • DOI: 10.1038/s41550-018-0411-6

Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium
journal, September 2008


First-principles prediction of a high-pressure hydrous phase of AlOOH
journal, February 2011


A new family of planets? “Ocean-Planets”
journal, June 2004


Deep Mantle Cycling of Oceanic Crust: Evidence from Diamonds and Their Mineral Inclusions
journal, September 2011


The phase diagram of water and the magnetic fields of Uranus and Neptune
journal, January 2011


WATER, MELTING, AND THE DEEP EARTH H 2 O CYCLE
journal, May 2006


THE INTERIORS OF GIANT PLANETS: Models and Outstanding Questions
journal, May 2005


Updated Compositional Models of the TRAPPIST-1 Planets
journal, July 2018

  • Unterborn, C. T.; Hinkel, N. R.; Desch, S. J.
  • Research Notes of the AAS, Vol. 2, Issue 3
  • DOI: 10.3847/2515-5172/aacf43

The Pyrite-Type High-Pressure Form of Silica
journal, August 2005


Mass‐Radius Relationships for Solid Exoplanets
journal, November 2007

  • Seager, S.; Kuchner, M.; Hier‐Majumder, C. A.
  • The Astrophysical Journal, Vol. 669, Issue 2
  • DOI: 10.1086/521346

Equation of state of stishovite to lower mantle pressures
journal, February 2003

  • Andrault, Denis; Angel, Ross J.; Mosenfelder, Jed L.
  • American Mineralogist, Vol. 88, Issue 2-3
  • DOI: 10.2138/am-2003-2-307

Phase transition and density of subducted MORB crust in the lower mantle
journal, August 2005

  • Hirose, Kei; Takafuji, Naoto; Sata, Nagayoshi
  • Earth and Planetary Science Letters, Vol. 237, Issue 1-2
  • DOI: 10.1016/j.epsl.2005.06.035

Growth model interpretation of planet size distribution
journal, April 2019

  • Zeng, Li; Jacobsen, Stein B.; Sasselov, Dimitar D.
  • Proceedings of the National Academy of Sciences, Vol. 116, Issue 20
  • DOI: 10.1073/pnas.1812905116

High pressure induced phase transformation of SiO2 and GeO2: difference and similarity
journal, August 2004

  • Prakapenka, V. P.; Shen, Guoyin; Dubrovinsky, L. S.
  • Journal of Physics and Chemistry of Solids, Vol. 65, Issue 8-9
  • DOI: 10.1016/j.jpcs.2003.12.019

The pyrite-type high-pressure form of FeOOH
journal, July 2017

  • Nishi, Masayuki; Kuwayama, Yasuhiro; Tsuchiya, Jun
  • Nature, Vol. 547, Issue 7662
  • DOI: 10.1038/nature22823

The COMPRES/GSECARS gas-loading system for diamond anvil cells at the Advanced Photon Source
journal, September 2008


Two-stage dissociation in MgSiO3 post-perovskite
journal, November 2011

  • Umemoto, Koichiro; Wentzcovitch, Renata M.
  • Earth and Planetary Science Letters, Vol. 311, Issue 3-4
  • DOI: 10.1016/j.epsl.2011.09.032

A new hydrous phase δ-AlOOH synthesized at 21 GPa and 1000 °C
journal, December 2000

  • Suzuki, A.; Ohtani, E.; Kamada, T.
  • Physics and Chemistry of Minerals, Vol. 27, Issue 10
  • DOI: 10.1007/s002690000120

Transformation of stishovite to a denser phase at lower-mantle pressures
journal, March 1995

  • Kingma, Kathleen J.; Cohen, Ronald E.; Hemley, Russell J.
  • Nature, Vol. 374, Issue 6519
  • DOI: 10.1038/374243a0

Cell assemblies for reproducible multi-anvil experiments (the COMPRES assemblies)
journal, January 2012

  • Leinenweber, K. D.; Tyburczy, J. A.; Sharp, T. G.
  • American Mineralogist, Vol. 97, Issue 2-3
  • DOI: 10.2138/am.2012.3844