Structural Transitions in MgSiO3 Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering

Kim, Yong‐Hyun; Yi, Yoo Soo; Kim, Hyo‐Im; Chow, Paul; Xiao, Yuming; Shen, Guoyin; Lee, Sung Keun

doi:10.1029/2019GL085889

Title: Structural Transitions in MgSiO₃ Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering

Abstract

The structural adaptation in MgSiO₃ melts under compression up to 130 GPa is the key to revealing the origins of the pronounced negative buoyancy of the melts at the core-mantle boundary (CMB). A full understanding of the melt densification requires study of the pressure-induced changes in the bonding configuration around oxygen at the CMB, which has proven to be difficult to measure. Here, the experimental breakthrough in O K-edge inelastic X-ray scattering enables collection of the spectra of MgSiO₃ glasses up to ~130 GPa, along with ab initio molecular dynamics simulations, revealing the electronic bonding transitions around heavily compressed oxygen. We report the spectral results indicate the emergence of denser network structures around oxygen, stemming from contractions in the Mg-O and O-O distances associated with flexible topological and short-range rearrangements around Si. The results unveil the electronic structure and thus the nature of densification in dense partial melts at the CMB.

Authors:

^[1];

^[2];

^[1]

Seoul National Univ. (South Korea)
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS), HPCAT

Publication Date:: Mon Dec 16 00:00:00 EST 2019

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Org.:: National Research Foundation of Korea (NRF); USDOE National Nuclear Security Administration (NNSA), Office of Experimental Sciences (NA-113); USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1606250

Alternate Identifier(s):: OSTI ID: 1577411

Grant/Contract Number:: AC02-06CH11357; 2017R1A2A1A17069511; 2017H1A2A1042446; AC02‐06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Geophysical Research Letters

Additional Journal Information:: Journal Volume: 46; Journal Issue: 23; Journal ID: ISSN 0094-8276

Publisher:: American Geophysical Union

Country of Publication:: United States

Language:: English

Subject:: 58 GEOSCIENCES; MgSiO3 glasses and melts under compression; core‐mantle boundary; inelastic X‐ray scattering

Citation Formats


                    Kim, Yong‐Hyun, Yi, Yoo Soo, Kim, Hyo‐Im, Chow, Paul, Xiao, Yuming, Shen, Guoyin, and Lee, Sung Keun. Structural Transitions in MgSiO3 Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering.  United States: N. p., 2019. 
Web.  doi:10.1029/2019GL085889.

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                    Kim, Yong‐Hyun, Yi, Yoo Soo, Kim, Hyo‐Im, Chow, Paul, Xiao, Yuming, Shen, Guoyin, & Lee, Sung Keun. Structural Transitions in MgSiO3 Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering.  United States.  https://doi.org/10.1029/2019GL085889

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                    Kim, Yong‐Hyun, Yi, Yoo Soo, Kim, Hyo‐Im, Chow, Paul, Xiao, Yuming, Shen, Guoyin, and Lee, Sung Keun. Mon .  
"Structural Transitions in MgSiO3 Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering".  United States.  https://doi.org/10.1029/2019GL085889.  https://www.osti.gov/servlets/purl/1606250.

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@article{osti_1606250,

  title        = {Structural Transitions in MgSiO3 Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering},

  author       = {Kim, Yong‐Hyun and Yi, Yoo Soo and Kim, Hyo‐Im and Chow, Paul and Xiao, Yuming and Shen, Guoyin and Lee, Sung Keun},

  abstractNote = {The structural adaptation in MgSiO3 melts under compression up to 130 GPa is the key to revealing the origins of the pronounced negative buoyancy of the melts at the core-mantle boundary (CMB). A full understanding of the melt densification requires study of the pressure-induced changes in the bonding configuration around oxygen at the CMB, which has proven to be difficult to measure. Here, the experimental breakthrough in O K-edge inelastic X-ray scattering enables collection of the spectra of MgSiO3 glasses up to ~130 GPa, along with ab initio molecular dynamics simulations, revealing the electronic bonding transitions around heavily compressed oxygen. We report the spectral results indicate the emergence of denser network structures around oxygen, stemming from contractions in the Mg-O and O-O distances associated with flexible topological and short-range rearrangements around Si. The results unveil the electronic structure and thus the nature of densification in dense partial melts at the CMB.},

  doi          = {10.1029/2019GL085889},

  journal      = {Geophysical Research Letters},

  number       = 23,

  volume       = 46,

  place        = {United States},

  year         = {Mon Dec 16 00:00:00 EST 2019},

  month        = {Mon Dec 16 00:00:00 EST 2019}

}

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Title: Structural Transitions in MgSiO3 Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering

Abstract

Citation Formats

Melt–crystal density crossover in a deep magma ocean journal, June 2019

Seismological constraints on a possible plume root at the core–mantle boundary journal, June 2005

Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope journal, October 2011

Compositional dependence of structural transition pressures in amorphous phases with mantle-related compositions journal, June 2009

Melting of subducted basalt at the core-mantle boundary journal, May 2014

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Determination of post-perovskite phase transition boundary up to 4400 K and implications for thermal structure in D″ layer journal, January 2009

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

The primodial terrestrial magma ocean and its implication for stratification of the mantle journal, March 1985

Pressure-induced structural change in MgSiO 3 glass at pressures near the Earth’s core–mantle boundary journal, February 2018

A Gentle Stochastic Thermostat for Molecular Dynamics journal, April 2009

P-V-T equation of state of MgSiO3 perovskite journal, January 1998

Electronic and local atomistic structure of MgSiO3 glass under pressure: a study of X-ray Raman scattering at the silicon and magnesium L-edges journal, June 2017

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

Pressure-induced structural changes and densification of vitreous MgSiO3 journal, February 2008

Ca-Mg and K-Mg mixing around non-bridging O atoms in silicate glasses: An investigation using 17 O MAS and 3QMAS NMR journal, May 2004

Focusing polycapillary to reduce parasitic scattering for inelastic x-ray measurements at high pressure journal, July 2015

Magma properties at deep Earth’s conditions from electronic structure of silica journal, February 2019

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X-ray Raman scattering for structural investigation of silica/silicate minerals journal, October 2008

Thermoelastic properties and crystal structure of MgSiO 3 perovskite at lower mantle pressure and temperature conditions journal, January 2000

Amorphous boron oxide at megabar pressures via inelastic X-ray scattering journal, May 2018

Electronic bonding transition in compressed SiO 2 glass journal, January 2007

Static compression and olivine flotation in ultrabasic silicate liquid journal, January 1988

Structure and Properties of Dense Silica Glass journal, May 2012

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Magma ocean formation due to giant impacts journal, March 1993

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Title: Structural Transitions in MgSiO₃ Glasses and Melts at the Core-Mantle Boundary Observed via Inelastic X-ray Scattering

Melt–crystal density crossover in a deep magma ocean
journal, June 2019

Seismological constraints on a possible plume root at the core–mantle boundary
journal, June 2005

Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope
journal, October 2011

Compositional dependence of structural transition pressures in amorphous phases with mantle-related compositions
journal, June 2009

Melting of subducted basalt at the core-mantle boundary
journal, May 2014

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

Determination of post-perovskite phase transition boundary up to 4400 K and implications for thermal structure in D″ layer
journal, January 2009

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

The primodial terrestrial magma ocean and its implication for stratification of the mantle
journal, March 1985

Pressure-induced structural change in MgSiO ₃ glass at pressures near the Earth’s core–mantle boundary
journal, February 2018

A Gentle Stochastic Thermostat for Molecular Dynamics
journal, April 2009

P-V-T equation of state of MgSiO3 perovskite
journal, January 1998

Electronic and local atomistic structure of MgSiO3 glass under pressure: a study of X-ray Raman scattering at the silicon and magnesium L-edges
journal, June 2017

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

Pressure-induced structural changes and densification of vitreous MgSiO3
journal, February 2008

Ca-Mg and K-Mg mixing around non-bridging O atoms in silicate glasses: An investigation using ¹⁷ O MAS and 3QMAS NMR
journal, May 2004

Focusing polycapillary to reduce parasitic scattering for inelastic x-ray measurements at high pressure
journal, July 2015

Magma properties at deep Earth’s conditions from electronic structure of silica
journal, February 2019

X-ray Raman scattering study of MgSiO3 glass at high pressure: Implication for triclustered MgSiO3 melt in Earth's mantle
journal, June 2008

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

Atomistic origins of pressure-induced changes in the O $K$ -edge x-ray Raman scattering features of $Si O_{2}$ and $MgSi O_{3}$ polymorphs: Insights from ab initio calculations
journal, September 2016

Extent of Disorder in Magnesium Aluminosilicate Glasses: Insights from ²⁷ Al and ¹⁷ O NMR
journal, December 2015

Diamond anvil Raman gauge in multimegabar pressure range
journal, December 2007

Oxygen Quadclusters in ${SiO}_{2}$ Glass above Megabar Pressures up to 160 GPa Revealed by X-Ray Raman Scattering
journal, December 2019

Spectroscopy of low and intermediate Z elements at extreme conditions: in situ studies of Earth materials at pressure and temperature via X-ray Raman scattering
journal, July 2016

Chemical order in mixed-cation silicate glasses and melts
journal, December 2003

Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3
journal, September 2019

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

Crystal-liquid density inversions in terrestrial and lunar magmas
journal, April 1998

X-ray Raman scattering for structural investigation of silica/silicate minerals
journal, October 2008

Thermoelastic properties and crystal structure of MgSiO ₃ perovskite at lower mantle pressure and temperature conditions
journal, January 2000

Amorphous boron oxide at megabar pressures via inelastic X-ray scattering
journal, May 2018

Electronic bonding transition in compressed ${SiO}_{2}$ glass
journal, January 2007

Static compression and olivine flotation in ultrabasic silicate liquid
journal, January 1988

Structure and Properties of Dense Silica Glass
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In situ structural changes of amorphous diopside (CaMgSi2O6) up to 20 GPa: A Raman and O K-edge X-ray Raman spectroscopic study
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Magma ocean formation due to giant impacts
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A crystallizing dense magma ocean at the base of the Earth’s mantle
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Pressure-induced changes in local electronic structures of SiO2 and MgSiO3 polymorphs: Insights from ab initio calculations of O K-edge energy-loss near-edge structure spectroscopy
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Melt-crystal density crossover in a deep magma ocean
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