Pressure-induced structural change in MgSiO3 glass at pressures near the Earth’s core–mantle boundary

Kono, Yoshio; Shibazaki, Yuki; Kenney-Benson, Curtis; Wang, Yanbin; Shen, Guoyin

doi:10.1073/pnas.1716748115

Title: Pressure-induced structural change in MgSiO₃ glass at pressures near the Earth’s core–mantle boundary

Journal Article · Mon Feb 05 00:00:00 EST 2018 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1716748115· OSTI ID:1419614

; Shibazaki, Yuki; Kenney-Benson, Curtis; Wang, Yanbin; Shen, Guoyin

Knowledge of the structure and properties of silicate magma under extreme pressure plays an important role in understanding the nature and evolution of Earth’s deep interior. Here we report the structure of MgSiO ₃ glass, considered an analog of silicate melts, up to 111 GPa. The first (r1) and second (r2) neighbor distances in the pair distribution function change rapidly, with r1 increasing and r2 decreasing with pressure. At 53–62 GPa, the observed r1 and r2 distances are similar to the Si-O and Si-Si distances, respectively, of crystalline MgSiO ₃ akimotoite with edge-sharing SiO ₆ structural motifs. Above 62 GPa, r1 decreases, and r2 remains constant, with increasing pressure until 88 GPa. Above this pressure, r1 remains more or less constant, and r2 begins decreasing again. These observations suggest an ultrahigh-pressure structural change around 88 GPa. The structure above 88 GPa is interpreted as having the closest edge-shared SiO ₆ structural motifs similar to those of the crystalline postperovskite, with densely packed oxygen atoms. The pressure of the structural change is broadly consistent with or slightly lower than that of the bridgmanite-to-postperovskite transition in crystalline MgSiO ₃ . These results suggest that a structural change may occur in MgSiO ₃ melt under pressure conditions corresponding to the deep lower mantle.

View Journal Article

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); Japan Society for the Promotion of Science KAKENHI

Grant/Contract Number:: AC02-06CH11357; FG02-99ER45775; NA0001974; 15K17784; EAR-1620548; EAR-1722495

OSTI ID:: 1419614

Alternate ID(s):: OSTI ID: 1424760

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Vol. 115 Journal Issue: 8; ISSN 0027-8424

Publisher:: National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 29 works

Citation information provided by
Web of Science

References (35)

First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure Karki, Bijaya B.; Bhattarai, Dipesh; Stixrude, Lars Physical Review B, Vol. 76, Issue 10 https://doi.org/10.1103/PhysRevB.76.104205	journal	September 2007
Seismic Evidence for Partial Melt at the Base of Earth's Mantle Williams, Q.; Garnero, E. J. Science, Vol. 273, Issue 5281 https://doi.org/10.1126/science.273.5281.1528	journal	September 1996
Beyond sixfold coordinated Si in SiO ₂ glass at ultrahigh pressures Prescher, Clemens; Prakapenka, Vitali B.; Stefanski, Johannes Proceedings of the National Academy of Sciences, Vol. 114, Issue 38 https://doi.org/10.1073/pnas.1708882114	journal	September 2017
The core–mantle boundary layer and deep Earth dynamics Lay, Thorne; Williams, Quentin; Garnero, Edward J. Nature, Vol. 392, Issue 6675 https://doi.org/10.1038/33083	journal	April 1998
First-principles molecular dynamics simulations of MgSiO3 glass: Structure, density, and elasticity at high pressure Ghosh, D. B.; Karki, B. B.; Stixrude, L. American Mineralogist, Vol. 99, Issue 7 https://doi.org/10.2138/am.2014.4631	journal	July 2014
Computer simulation of CaSiO ₃ glass under compression: correlation between Si–Si pair radial distribution function and intermediate range order structure Lan, Mai Thi; Duong, Tran Thuy; Iitaka, Toshiaki Materials Research Express, Vol. 4, Issue 6 https://doi.org/10.1088/2053-1591/aa70d1	journal	June 2017
Fate of MgSiO ₃ melts at core–mantle boundary conditions Petitgirard, Sylvain; Malfait, Wim J.; Sinmyo, Ryosuke Proceedings of the National Academy of Sciences, Vol. 112, Issue 46 https://doi.org/10.1073/pnas.1512386112	journal	November 2015
A dense non-crystallographic packing of equal spheres Mackay, A. L. Acta Crystallographica, Vol. 15, Issue 9 https://doi.org/10.1107/S0365110X6200239X	journal	September 1962
Density of magmas at depth Sanloup, Chrystèle Chemical Geology, Vol. 429 https://doi.org/10.1016/j.chemgeo.2016.03.002	journal	July 2016
Structure and Freezing of MgSiO3 Liquid in Earth's Lower Mantle Stixrude, L. Science, Vol. 310, Issue 5746 https://doi.org/10.1126/science.1116952	journal	October 2005
Atomistic insight into viscosity and density of silicate melts under pressure Wang, Yanbin; Sakamaki, Tatsuya; Skinner, Lawrie B. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4241	journal	January 2014
Sixfold-Coordinated Amorphous Polymorph of ${SiO}_{2}$ under High Pressure Sato, Tomoko; Funamori, Nobumasa Physical Review Letters, Vol. 101, Issue 25 https://doi.org/10.1103/PhysRevLett.101.255502	journal	December 2008
Structural investigation of amorphous materials at high pressures using the diamond anvil cell Shen, Guoyin; Prakapenka, Vitali B.; Rivers, Mark L. Review of Scientific Instruments, Vol. 74, Issue 6 https://doi.org/10.1063/1.1574394	journal	June 2003
Toward comprehensive studies of liquids at high pressures and high temperatures: Combined structure, elastic wave velocity, and viscosity measurements in the Paris–Edinburgh cell Kono, Yoshio; Park, Changyong; Kenney-Benson, Curtis Physics of the Earth and Planetary Interiors, Vol. 228 https://doi.org/10.1016/j.pepi.2013.09.006	journal	March 2014
Spectroscopic Evidence for Ultrahigh-Pressure Polymorphism in ${SiO}_{2}$ Glass Murakami, Motohiko; Bass, Jay D. Physical Review Letters, Vol. 104, Issue 2 https://doi.org/10.1103/PhysRevLett.104.025504	journal	January 2010
Neutron diffraction by germania, silica and radiation-damaged silica glasses Lorch, E. Journal of Physics C: Solid State Physics, Vol. 2, Issue 2 https://doi.org/10.1088/0022-3719/2/2/305	journal	February 1969
Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer Oganov, Artem R.; Ono, Shigeaki Nature, Vol. 430, Issue 6998 https://doi.org/10.1038/nature02701	journal	July 2004
The elasticity of the MgSiO3 post-perovskite phase in the Earth's lowermost mantle Iitaka, T.; Hirose, K.; Kawamura, K. Nature, Vol. 430, Issue 6998 https://doi.org/10.1038/nature02702	journal	July 2004
Structural change in molten basalt at deep mantle conditions Sanloup, Chrystèle; Drewitt, James W. E.; Konôpková, Zuzana Nature, Vol. 503, Issue 7474 https://doi.org/10.1038/nature12668	journal	November 2013
Structure analysis of MgSiO3 glass Yin, C. D.; Okuno, M.; Morikawa, H. Journal of Non-Crystalline Solids, Vol. 55, Issue 1 https://doi.org/10.1016/0022-3093(83)90013-3	journal	April 1983
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Yamanaka, T. American Mineralogist, Vol. 90, Issue 8-9 https://doi.org/10.2138/am.2005.1621	journal	August 2005
Evidence of denser MgSiO3 glass above 133 gigapascal (GPa) and implications for remnants of ultradense silicate melt from a deep magma ocean Murakami, M.; Bass, J. D. Proceedings of the National Academy of Sciences, Vol. 108, Issue 42 https://doi.org/10.1073/pnas.1109748108	journal	October 2011
Structure, thermodynamic and transport properties of liquid MgSiO3: Comparison of molecular models and laboratory results Spera, Frank J.; Ghiorso, Mark S.; Nevins, Dean Geochimica et Cosmochimica Acta, Vol. 75, Issue 5 https://doi.org/10.1016/j.gca.2010.12.004	journal	March 2011
High-pressure crystal chemistry of MgSiO3 perovskite Ross, NancyL.; Hazen, RobertM. Physics and Chemistry of Minerals, Vol. 17, Issue 3 https://doi.org/10.1007/BF00201454	journal	June 1990
Ultrahigh-pressure polyamorphism in GeO ₂ glass with coordination number >6 Kono, Yoshio; Kenney-Benson, Curtis; Ikuta, Daijo Proceedings of the National Academy of Sciences, Vol. 113, Issue 13 https://doi.org/10.1073/pnas.1524304113	journal	March 2016
First-principles prediction of the P - V - T equation of state of gold and the 660-km discontinuity in Earth's mantle : FIRST-PRINCIPLES PREDICTION OF EQUATION OF STATE OF GOLD Tsuchiya, Taku Journal of Geophysical Research: Solid Earth, Vol. 108, Issue B10 https://doi.org/10.1029/2003JB002446	journal	October 2003
Unsolved problems in the lowermost mantle Hirose, Kei; Karato, Shun-ichiro; Cormier, Vernon F. Geophysical Research Letters, Vol. 33, Issue 12 https://doi.org/10.1029/2006GL025691	journal	January 2006
Low Core-Mantle Boundary Temperature Inferred from the Solidus of Pyrolite Nomura, R.; Hirose, K.; Uesugi, K. Science, Vol. 343, Issue 6170 https://doi.org/10.1126/science.1248186	journal	January 2014
High-pressure x-ray diffraction of ${SiO}_{2}$ glass Meade, Charles; Hemley, R. J.; Mao, H. K. Physical Review Letters, Vol. 69, Issue 9 https://doi.org/10.1103/PhysRevLett.69.1387	journal	August 1992
Structural and topological changes in silica glass at pressure Benmore, C. J.; Soignard, E.; Amin, S. A. Physical Review B, Vol. 81, Issue 5 https://doi.org/10.1103/PhysRevB.81.054105	journal	February 2010
High-pressure structural transformation of ${SiO}_{2}$ glass up to 100 GPa Sato, Tomoko; Funamori, Nobumasa Physical Review B, Vol. 82, Issue 18 https://doi.org/10.1103/PhysRevB.82.184102	journal	November 2010
Instantaneous structure of an MgSiO3 melt simulated by molecular dynamics Matsui, Yoshito; Kawamura, Katsuyuki Nature, Vol. 285, Issue 5767 https://doi.org/10.1038/285648a0	journal	June 1980
Melting of Peridotite to 140 Gigapascals Fiquet, G.; Auzende, A. L.; Siebert, J. Science, Vol. 329, Issue 5998 https://doi.org/10.1126/science.1192448	journal	September 2010
Spin crossover and iron-rich silicate melt in the Earth’s deep mantle Nomura, Ryuichi; Ozawa, Haruka; Tateno, Shigehiko Nature, Vol. 473, Issue 7346 https://doi.org/10.1038/nature09940	journal	April 2011
A crystallizing dense magma ocean at the base of the Earth’s mantle Labrosse, S.; Hernlund, J. W.; Coltice, N. Nature, Vol. 450, Issue 7171 https://doi.org/10.1038/nature06355	journal	December 2007

Similar Records

Structural Evolution of SiO₂ Glass with Si Coordination Number Greater than 6

Journal Article · Thu Nov 12 00:00:00 EST 2020 · Physical Review Letters · OSTI ID:1419614

Kono, Yoshio; Shu, Yu; Kenney-Benson, Curtis; +2 more

Stability of MgSio[subscript 3] Perovskite in the Lower Mantle

Book · Thu Jan 19 00:00:00 EST 2006 · OSTI ID:1419614

Shim, D

Equation of State and Spin Crossover of (Al, Fe)–Phase H

Journal Article · Sat Mar 25 00:00:00 EDT 2023 · Journal of Geophysical Research. Solid Earth · OSTI ID:1419614

Strozewski, Benjamin; Buchen, Johannes; Sturhahn, Wolfgang; +7 more

Related Subjects

58 GEOSCIENCES
high pressure
silicate glass
core–mantle
boundary
polyamorphism

Title: Pressure-induced structural change in MgSiO3 glass at pressures near the Earth’s core–mantle boundary

Citation Formats

References (35)

Similar Records

Related Subjects

Title: Pressure-induced structural change in MgSiO₃ glass at pressures near the Earth’s core–mantle boundary