High pressure x-ray diffraction measurements on Mg2SiO 4 glass

C. J. Benmore; E. Soignard; M. Guthrie; S. A. Amin; J. K.R. Weber; K. McKiernan; M. C. Wilding; J. L. Yarger

doi:10.1016/j.jnoncrysol.2010.12.064

High pressure x-ray diffraction measurements on Mg₂SiO ₄ glass

C. J. Benmore, E. Soignard, M. Guthrie, S. A. Amin, J. K.R. Weber, K. McKiernan, M. C. Wilding, J. L. Yarger

Research output: Contribution to journal › Article › peer-review

27 Scopus citations

Abstract

The structure factors of Mg₂SiO₄ glass have been measured using high energy x-ray diffraction up to pressures of 30.2 GPa, and the equation of state measured up to 12.8 GPa. The average Mg-O coordination numbers were extracted from the experimental pair distribution functions assuming two cases (i) there is no change in Si-O coordination number with pressure and (ii) the average Si-O coordination number increases the same as for pure SiO₂ glass. Both analyses give similar results and show a gradual increase in the average Mg-O coordination number from 5.0 at ambient pressure to ∼ 6.6(6) at 30.2 GPa. There is good qualitative agreement between the experimental structure and equation of state data for the glass compared to several recent molecular dynamics simulations carried out on liquid Mg₂SiO₄.

Original language	English
Pages (from-to)	2632-2636
Number of pages	5
Journal	Journal of Non-Crystalline Solids
Volume	357
Issue number	14
DOIs	https://doi.org/10.1016/j.jnoncrysol.2010.12.064
State	Published - Jul 1 2011
Externally published	Yes

Funding

This work was supported by the NNSA CDAC grant number DE-FC52-08NA28554 and the U.S. DOE ANL under contract number DE-AC02-06CH11357 . J. Yarger, E. Soignard and M. Guthrie are supported by EFree, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001057.

Funders	Funder number
NNSA CDAC	DE-FC52-08NA28554
U.S. DOE ANL	DE-AC02-06CH11357
U.S. Department of Energy
Office of Science
Basic Energy Sciences	DE-SC0001057

Keywords

Equation of state
Glass structure
High pressure
Silicate glass
X-ray diffraction

Access to Document

10.1016/j.jnoncrysol.2010.12.064

Cite this

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title = "High pressure x-ray diffraction measurements on Mg2SiO 4 glass",

abstract = "The structure factors of Mg2SiO4 glass have been measured using high energy x-ray diffraction up to pressures of 30.2 GPa, and the equation of state measured up to 12.8 GPa. The average Mg-O coordination numbers were extracted from the experimental pair distribution functions assuming two cases (i) there is no change in Si-O coordination number with pressure and (ii) the average Si-O coordination number increases the same as for pure SiO2 glass. Both analyses give similar results and show a gradual increase in the average Mg-O coordination number from 5.0 at ambient pressure to ∼ 6.6(6) at 30.2 GPa. There is good qualitative agreement between the experimental structure and equation of state data for the glass compared to several recent molecular dynamics simulations carried out on liquid Mg2SiO4.",

keywords = "Equation of state, Glass structure, High pressure, Silicate glass, X-ray diffraction",

author = "Benmore, {C. J.} and E. Soignard and M. Guthrie and Amin, {S. A.} and Weber, {J. K.R.} and K. McKiernan and Wilding, {M. C.} and Yarger, {J. L.}",

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T1 - High pressure x-ray diffraction measurements on Mg2SiO 4 glass

AU - Benmore, C. J.

AU - Soignard, E.

AU - Guthrie, M.

AU - Amin, S. A.

AU - Weber, J. K.R.

AU - McKiernan, K.

AU - Wilding, M. C.

AU - Yarger, J. L.

PY - 2011/7/1

Y1 - 2011/7/1

N2 - The structure factors of Mg2SiO4 glass have been measured using high energy x-ray diffraction up to pressures of 30.2 GPa, and the equation of state measured up to 12.8 GPa. The average Mg-O coordination numbers were extracted from the experimental pair distribution functions assuming two cases (i) there is no change in Si-O coordination number with pressure and (ii) the average Si-O coordination number increases the same as for pure SiO2 glass. Both analyses give similar results and show a gradual increase in the average Mg-O coordination number from 5.0 at ambient pressure to ∼ 6.6(6) at 30.2 GPa. There is good qualitative agreement between the experimental structure and equation of state data for the glass compared to several recent molecular dynamics simulations carried out on liquid Mg2SiO4.

AB - The structure factors of Mg2SiO4 glass have been measured using high energy x-ray diffraction up to pressures of 30.2 GPa, and the equation of state measured up to 12.8 GPa. The average Mg-O coordination numbers were extracted from the experimental pair distribution functions assuming two cases (i) there is no change in Si-O coordination number with pressure and (ii) the average Si-O coordination number increases the same as for pure SiO2 glass. Both analyses give similar results and show a gradual increase in the average Mg-O coordination number from 5.0 at ambient pressure to ∼ 6.6(6) at 30.2 GPa. There is good qualitative agreement between the experimental structure and equation of state data for the glass compared to several recent molecular dynamics simulations carried out on liquid Mg2SiO4.

KW - Equation of state

KW - Glass structure

KW - High pressure

KW - Silicate glass

KW - X-ray diffraction

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