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

Abstract

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 ₃more »« less

Authors:

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

Publication Date:: Mon Feb 05 00:00:00 EST 2018

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

Sponsoring Org.:: 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

OSTI Identifier:: 1419614

Alternate Identifier(s):: OSTI ID: 1424760

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

Resource Type:: Published Article

Journal Name:: Proceedings of the National Academy of Sciences of the United States of America

Additional Journal Information:: Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 115 Journal Issue: 8; Journal ID: ISSN 0027-8424

Publisher:: National Academy of Sciences

Country of Publication:: United States

Language:: English

Subject:: 58 GEOSCIENCES; high pressure; silicate glass; core–mantle; boundary; polyamorphism

Citation Formats


                    Kono, Yoshio, Shibazaki, Yuki, Kenney-Benson, Curtis, Wang, Yanbin, and Shen, Guoyin. Pressure-induced structural change in MgSiO3 glass at pressures near the Earth’s core–mantle boundary.  United States: N. p., 2018. 
Web.  doi:10.1073/pnas.1716748115.

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                    Kono, Yoshio, Shibazaki, Yuki, Kenney-Benson, Curtis, Wang, Yanbin, & Shen, Guoyin. Pressure-induced structural change in MgSiO3 glass at pressures near the Earth’s core–mantle boundary.  United States.  https://doi.org/10.1073/pnas.1716748115

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                    Kono, Yoshio, Shibazaki, Yuki, Kenney-Benson, Curtis, Wang, Yanbin, and Shen, Guoyin. Mon .  
"Pressure-induced structural change in MgSiO3 glass at pressures near the Earth’s core–mantle boundary".  United States.  https://doi.org/10.1073/pnas.1716748115.

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@article{osti_1419614,

  title        = {Pressure-induced structural change in MgSiO3 glass at pressures near the Earth’s core–mantle boundary},

  author       = {Kono, Yoshio and Shibazaki, Yuki and Kenney-Benson, Curtis and Wang, Yanbin and Shen, Guoyin},

  abstractNote = {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.},

  doi          = {10.1073/pnas.1716748115},

  journal      = {Proceedings of the National Academy of Sciences of the United States of America},

  number       = 8,

  volume       = 115,

  place        = {United States},

  year         = {Mon Feb 05 00:00:00 EST 2018},

  month        = {Mon Feb 05 00:00:00 EST 2018}

}

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

Abstract

Citation Formats

First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure journal, September 2007

Seismic Evidence for Partial Melt at the Base of Earth's Mantle journal, September 1996

Beyond sixfold coordinated Si in SiO 2 glass at ultrahigh pressures journal, September 2017

The core–mantle boundary layer and deep Earth dynamics journal, April 1998

First-principles molecular dynamics simulations of MgSiO3 glass: Structure, density, and elasticity at high pressure journal, July 2014

Computer simulation of CaSiO 3 glass under compression: correlation between Si–Si pair radial distribution function and intermediate range order structure journal, June 2017

Fate of MgSiO 3 melts at core–mantle boundary conditions journal, November 2015

A dense non-crystallographic packing of equal spheres journal, September 1962

Density of magmas at depth journal, July 2016

Structure and Freezing of MgSiO3 Liquid in Earth's Lower Mantle journal, October 2005

Atomistic insight into viscosity and density of silicate melts under pressure journal, January 2014

Sixfold-Coordinated Amorphous Polymorph of SiO 2 under High Pressure journal, December 2008

Structural investigation of amorphous materials at high pressures using the diamond anvil cell 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 journal, March 2014

Spectroscopic Evidence for Ultrahigh-Pressure Polymorphism in SiO 2 Glass journal, January 2010

Neutron diffraction by germania, silica and radiation-damaged silica glasses journal, February 1969

Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer journal, July 2004

The elasticity of the MgSiO3 post-perovskite phase in the Earth's lowermost mantle journal, July 2004

Structural change in molten basalt at deep mantle conditions journal, November 2013

Structure analysis of MgSiO3 glass journal, April 1983

Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression 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 journal, October 2011

Structure, thermodynamic and transport properties of liquid MgSiO3: Comparison of molecular models and laboratory results journal, March 2011

High-pressure crystal chemistry of MgSiO3 perovskite journal, June 1990

Ultrahigh-pressure polyamorphism in GeO 2 glass with coordination number >6 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 journal, October 2003

Unsolved problems in the lowermost mantle journal, January 2006

Low Core-Mantle Boundary Temperature Inferred from the Solidus of Pyrolite journal, January 2014

High-pressure x-ray diffraction of SiO 2 glass journal, August 1992

Structural and topological changes in silica glass at pressure journal, February 2010

High-pressure structural transformation of SiO 2 glass up to 100 GPa journal, November 2010

Instantaneous structure of an MgSiO3 melt simulated by molecular dynamics journal, June 1980

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Spin crossover and iron-rich silicate melt in the Earth’s deep mantle journal, April 2011

A crystallizing dense magma ocean at the base of the Earth’s mantle journal, December 2007

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

First-principles simulations of liquid silica: Structural and dynamical behavior at high pressure
journal, September 2007

Seismic Evidence for Partial Melt at the Base of Earth's Mantle
journal, September 1996

Beyond sixfold coordinated Si in SiO ₂ glass at ultrahigh pressures
journal, September 2017

The core–mantle boundary layer and deep Earth dynamics
journal, April 1998

First-principles molecular dynamics simulations of MgSiO3 glass: Structure, density, and elasticity at high pressure
journal, July 2014

Computer simulation of CaSiO ₃ glass under compression: correlation between Si–Si pair radial distribution function and intermediate range order structure
journal, June 2017

Fate of MgSiO ₃ melts at core–mantle boundary conditions
journal, November 2015

A dense non-crystallographic packing of equal spheres
journal, September 1962

Density of magmas at depth
journal, July 2016

Structure and Freezing of MgSiO3 Liquid in Earth's Lower Mantle
journal, October 2005

Atomistic insight into viscosity and density of silicate melts under pressure
journal, January 2014

Sixfold-Coordinated Amorphous Polymorph of ${SiO}_{2}$ under High Pressure
journal, December 2008

Structural investigation of amorphous materials at high pressures using the diamond anvil cell
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
journal, March 2014

Spectroscopic Evidence for Ultrahigh-Pressure Polymorphism in ${SiO}_{2}$ Glass
journal, January 2010

Neutron diffraction by germania, silica and radiation-damaged silica glasses
journal, February 1969

Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer
journal, July 2004

The elasticity of the MgSiO3 post-perovskite phase in the Earth's lowermost mantle
journal, July 2004

Structural change in molten basalt at deep mantle conditions
journal, November 2013

Structure analysis of MgSiO3 glass
journal, April 1983

Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
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
journal, October 2011

Structure, thermodynamic and transport properties of liquid MgSiO3: Comparison of molecular models and laboratory results
journal, March 2011

High-pressure crystal chemistry of MgSiO3 perovskite
journal, June 1990

Ultrahigh-pressure polyamorphism in GeO ₂ glass with coordination number >6
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
journal, October 2003

Unsolved problems in the lowermost mantle
journal, January 2006

Low Core-Mantle Boundary Temperature Inferred from the Solidus of Pyrolite
journal, January 2014

High-pressure x-ray diffraction of ${SiO}_{2}$ glass
journal, August 1992

Structural and topological changes in silica glass at pressure
journal, February 2010

High-pressure structural transformation of ${SiO}_{2}$ glass up to 100 GPa
journal, November 2010

Instantaneous structure of an MgSiO3 melt simulated by molecular dynamics
journal, June 1980

Melting of Peridotite to 140 Gigapascals
journal, September 2010

Spin crossover and iron-rich silicate melt in the Earth’s deep mantle
journal, April 2011

A crystallizing dense magma ocean at the base of the Earth’s mantle
journal, December 2007