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

Journal Article · 15 December 2019 · Geophysical Research Letters

DOI: https://doi.org/10.1029/2019GL085889 · OSTI ID:1606250

^[1];

^[2];

^[1]

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

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.

View Accepted Manuscript (DOE)

Cite

Export

Save

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

Sponsoring Organization:: 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) (SC-22)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1606250

Journal Information:: Geophysical Research Letters, Journal Name: Geophysical Research Letters Journal Issue: 23 Vol. 46; ISSN 0094-8276

Publisher:: American Geophysical UnionCopyright Statement

Country of Publication:: United States

Language:: English

References (41)

X-ray Raman scattering for structural investigation of silica/silicate minerals Fukui, H.; Kanzaki, M.; Hiraoka, N. Physics and Chemistry of Minerals, Vol. 36, Issue 3 https://doi.org/10.1007/s00269-008-0267-x	journal	October 2008
Electronic and local atomistic structure of MgSiO3 glass under pressure: a study of X-ray Raman scattering at the silicon and magnesium L-edges Fukui, Hiroshi; Hiraoka, Nozomu Physics and Chemistry of Minerals, Vol. 45, Issue 2 https://doi.org/10.1007/s00269-017-0909-y	journal	June 2017
A Gentle Stochastic Thermostat for Molecular Dynamics Leimkuhler, Ben; Noorizadeh, Emad; Theil, Florian Journal of Statistical Physics, Vol. 135, Issue 2 https://doi.org/10.1007/s10955-009-9734-0	journal	April 2009
The primodial terrestrial magma ocean and its implication for stratification of the mantle Ohtani, Eiji Physics of the Earth and Planetary Interiors, Vol. 38, Issue 1 https://doi.org/10.1016/0031-9201(85)90123-2	journal	March 1985
P-V-T equation of state of MgSiO3 perovskite Fiquet, Guillaume; Andrault, Denis; Dewaele, Agnès Physics of the Earth and Planetary Interiors, Vol. 105, Issue 1-2 https://doi.org/10.1016/S0031-9201(97)00077-0	journal	January 1998
Crystal-liquid density inversions in terrestrial and lunar magmas Agee, Carl B. Physics of the Earth and Planetary Interiors, Vol. 107, Issue 1-3 https://doi.org/10.1016/S0031-9201(97)00124-6	journal	April 1998
Determination of post-perovskite phase transition boundary up to 4400 K and implications for thermal structure in D″ layer Tateno, Shigehiko; Hirose, Kei; Sata, Nagayoshi Earth and Planetary Science Letters, Vol. 277, Issue 1-2 https://doi.org/10.1016/j.epsl.2008.10.004	journal	January 2009
Compositional dependence of structural transition pressures in amorphous phases with mantle-related compositions Shim, Sang-Heon; Catalli, Krystle Earth and Planetary Science Letters, Vol. 283, Issue 1-4 https://doi.org/10.1016/j.epsl.2009.04.018	journal	June 2009
Melt–crystal density crossover in a deep magma ocean Caracas, Razvan; Hirose, Kei; Nomura, Ryuichi Earth and Planetary Science Letters, Vol. 516 https://doi.org/10.1016/j.epsl.2019.03.031	journal	June 2019
Pressure-induced structural changes and densification of vitreous MgSiO3 Gaudio, S. J.; Sen, S.; Lesher, C. E. Geochimica et Cosmochimica Acta, Vol. 72, Issue 4 https://doi.org/10.1016/j.gca.2007.12.005	journal	February 2008
In situ structural changes of amorphous diopside (CaMgSi2O6) up to 20 GPa: A Raman and O K-edge X-ray Raman spectroscopic study Moulton, Benjamin J. A.; Henderson, Grant S.; Fukui, Hiroshi Geochimica et Cosmochimica Acta, Vol. 178 https://doi.org/10.1016/j.gca.2016.01.020	journal	April 2016
Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3 Salmon, Philip S.; Moody, Gregory S.; Ishii, Yoshiki Journal of Non-Crystalline Solids: X, Vol. 3 https://doi.org/10.1016/j.nocx.2019.100024	journal	September 2019
Extent of Disorder in Magnesium Aluminosilicate Glasses: Insights from ²⁷ Al and ¹⁷ O NMR Lee, Sung Keun; Kim, Hyo-Im; Kim, Eun Jeong The Journal of Physical Chemistry C, Vol. 120, Issue 1 https://doi.org/10.1021/acs.jpcc.5b10799	journal	December 2015
Thermoelastic properties and crystal structure of MgSiO ₃ perovskite at lower mantle pressure and temperature conditions Fiquet, G.; Dewaele, A.; Andrault, D. Geophysical Research Letters, Vol. 27, Issue 1 https://doi.org/10.1029/1999GL008397	journal	January 2000
Magma ocean formation due to giant impacts Tonks, W. Brian; Melosh, H. Jay Journal of Geophysical Research: Planets, Vol. 98, Issue E3 https://doi.org/10.1029/92JE02726	journal	March 1993
Static compression and olivine flotation in ultrabasic silicate liquid Agee, Carl B.; Walker, David Journal of Geophysical Research, Vol. 93, Issue B4 https://doi.org/10.1029/JB093iB04p03437	journal	January 1988
Seismological constraints on a possible plume root at the core–mantle boundary Rost, Sebastian; Garnero, Edward J.; Williams, Quentin Nature, Vol. 435, Issue 7042 https://doi.org/10.1038/nature03620	journal	June 2005
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
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
Structure and Properties of Dense Silica Glass Wu, Min; Liang, Yunfeng; Jiang, Jian-Zhong Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00398	journal	May 2012
Focusing polycapillary to reduce parasitic scattering for inelastic x-ray measurements at high pressure Chow, P.; Xiao, Y. M.; Rod, E. Review of Scientific Instruments, Vol. 86, Issue 7 https://doi.org/10.1063/1.4926890	journal	July 2015
X-ray Raman scattering study of MgSiO3 glass at high pressure: Implication for triclustered MgSiO3 melt in Earth's mantle Lee, S. K.; Lin, J. -F.; Cai, Y. Q. Proceedings of the National Academy of Sciences, Vol. 105, Issue 23 https://doi.org/10.1073/pnas.0802667105	journal	June 2008
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
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
Pressure-induced structural change in MgSiO ₃ glass at pressures near the Earth’s core–mantle boundary Kono, Yoshio; Shibazaki, Yuki; Kenney-Benson, Curtis Proceedings of the National Academy of Sciences, Vol. 115, Issue 8 https://doi.org/10.1073/pnas.1716748115	journal	February 2018
Amorphous boron oxide at megabar pressures via inelastic X-ray scattering Lee, Sung Keun; Kim, Yong-Hyun; Chow, Paul Proceedings of the National Academy of Sciences, Vol. 115, Issue 23 https://doi.org/10.1073/pnas.1800777115	journal	May 2018
Diamond anvil Raman gauge in multimegabar pressure range Akahama, Yuichi; Kawamura, Haruki High Pressure Research, Vol. 27, Issue 4 https://doi.org/10.1080/08957950701659544	journal	December 2007
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 Sternemann, C.; Wilke, M. High Pressure Research, Vol. 36, Issue 3 https://doi.org/10.1080/08957959.2016.1198903	journal	July 2016
Chemical order in mixed-cation silicate glasses and melts Lee, Sung Keun; Mysen, Bjorn O.; Cody, George D. Physical Review B, Vol. 68, Issue 21 https://doi.org/10.1103/PhysRevB.68.214206	journal	December 2003
Electronic bonding transition in compressed SiO 2 glass Lin, Jung-Fu; Fukui, Hiroshi; Prendergast, David Physical Review B, Vol. 75, Issue 1 https://doi.org/10.1103/PhysRevB.75.012201	journal	January 2007
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 Yi, Yoo Soo; Lee, Sung Keun Physical Review B, Vol. 94, Issue 9 https://doi.org/10.1103/PhysRevB.94.094110	journal	September 2016
Amorphous Diamond: A High-Pressure Superhard Carbon Allotrope Lin, Yu; Zhang, Li; Mao, Ho-kwang Physical Review Letters, Vol. 107, Issue 17 https://doi.org/10.1103/PhysRevLett.107.175504	journal	October 2011
Oxygen Quadclusters in SiO 2 Glass above Megabar Pressures up to 160 GPa Revealed by X-Ray Raman Scattering Lee, Sung Keun; Kim, Yong-Hyun; Yi, Yoo Soo Physical Review Letters, Vol. 123, Issue 23 https://doi.org/10.1103/PhysRevLett.123.235701	journal	December 2019
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
Melting of subducted basalt at the core-mantle boundary Andrault, D.; Pesce, G.; Bouhifd, M. A. Science, Vol. 344, Issue 6186 https://doi.org/10.1126/science.1250466	journal	May 2014
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
Ca-Mg and K-Mg mixing around non-bridging O atoms in silicate glasses: An investigation using ¹⁷ O MAS and 3QMAS NMR Allwardt, Jeffrey R.; Stebbins, Jonathan F. American Mineralogist, Vol. 89, Issue 5-6 https://doi.org/10.2138/am-2004-5-611	journal	May 2004
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 Yi, Y. S.; Lee, S. K. American Mineralogist, Vol. 97, Issue 5-6 https://doi.org/10.2138/am.2012.3943	journal	May 2012
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
Melt-crystal density crossover in a deep magma ocean Caracas, Razvan; Hirose, Kei; Nomura, Ryuichi ETH Zurich https://doi.org/10.3929/ethz-b-000341322	text	January 2019
Magma properties at deep Earth’s conditions from electronic structure of silica Petitgirard, S.; Sahle, C. J.; Weis, C. Geochemical Perspectives Letters https://doi.org/10.7185/geochemlet.1902	journal	February 2019

Similar Records

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

Journal Article · 2015 · Proc. Natl. Acad. Sci. USA · OSTI ID:1169993

Lee, Sung Keun; Lin, Jung-Fu; Cai, Yong Q.; +13 more

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

Journal Article · 2008 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1006629

Lee, Sung Keun; Lin, Jung-Fu; Cai, Yong Q; +13 more

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

Journal Article · 2018 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1419614

Kono, Yoshio; Shibazaki, Yuki; Kenney-Benson, Curtis; +2 more

Related Subjects

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

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

Citation Formats

References (41)

Similar Records

Related Subjects

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