Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3

Salmon, Philip S.; Moody, Gregory S.; Ishii, Yoshiki; Pizzey, Keiron J.; Polidori, Annalisa; Salanne, Mathieu; Zeidler, Anita; Buscemi, Michela; Fischer, Henry E.; Bull, Craig L.; Klotz, Stefan; Weber, Richard; Benmore, Chris J.; MacLeod, Simon G.

doi:10.1016/j.nocx.2019.100024

Title: Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3

Publication Date:: Sun Sep 01 00:00:00 EDT 2019

Sponsoring Org.:: USDOE

OSTI Identifier:: 1547208

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Published Article

Journal Name:: Journal of Non-Crystalline Solids. X

Additional Journal Information:: Journal Name: Journal of Non-Crystalline Solids. X Journal Volume: 3 Journal Issue: C; Journal ID: ISSN 2590-1591

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Salmon, Philip S., Moody, Gregory S., Ishii, Yoshiki, Pizzey, Keiron J., Polidori, Annalisa, Salanne, Mathieu, Zeidler, Anita, Buscemi, Michela, Fischer, Henry E., Bull, Craig L., Klotz, Stefan, Weber, Richard, Benmore, Chris J., and MacLeod, Simon G. Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3.  Netherlands: N. p., 2019. 
Web.  doi:10.1016/j.nocx.2019.100024.

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                    Salmon, Philip S., Moody, Gregory S., Ishii, Yoshiki, Pizzey, Keiron J., Polidori, Annalisa, Salanne, Mathieu, Zeidler, Anita, Buscemi, Michela, Fischer, Henry E., Bull, Craig L., Klotz, Stefan, Weber, Richard, Benmore, Chris J., & MacLeod, Simon G. Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3.  Netherlands.  https://doi.org/10.1016/j.nocx.2019.100024

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                    Salmon, Philip S., Moody, Gregory S., Ishii, Yoshiki, Pizzey, Keiron J., Polidori, Annalisa, Salanne, Mathieu, Zeidler, Anita, Buscemi, Michela, Fischer, Henry E., Bull, Craig L., Klotz, Stefan, Weber, Richard, Benmore, Chris J., and MacLeod, Simon G. Sun .  
"Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3".  Netherlands.  https://doi.org/10.1016/j.nocx.2019.100024.

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@article{osti_1547208,

  title        = {Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3},

  author       = {Salmon, Philip S. and Moody, Gregory S. and Ishii, Yoshiki and Pizzey, Keiron J. and Polidori, Annalisa and Salanne, Mathieu and Zeidler, Anita and Buscemi, Michela and Fischer, Henry E. and Bull, Craig L. and Klotz, Stefan and Weber, Richard and Benmore, Chris J. and MacLeod, Simon G.},

  abstractNote = {},

  doi          = {10.1016/j.nocx.2019.100024},

  journal      = {Journal of Non-Crystalline Solids. X},

  number       = C,

  volume       = 3,

  place        = {Netherlands},

  year         = {Sun Sep 01 00:00:00 EDT 2019},

  month        = {Sun Sep 01 00:00:00 EDT 2019}

}

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Pressure-Induced Amorphization and Phase Transformations in LiAlSiO4 Eucryptite

Journal Article Zhang, J ; Zhao, Y ; Xu, H ; ... - Chemistry of Materials

This work presents a comprehensive study on pressure-induced amorphization (PIA) in {beta}-eucryptite (LiAlSiO4) and on the equilibrium states of so-formed amorphous phase at elevated temperatures. Our results revealed that at 300 K {beta}-LiAlSiO4 underwent progressive amorphization at pressures above 4.5 GPa and became completely amorphous above 17.0 GPa. After release of pressure, {beta}-LiAlSiO4 that was partially amorphized at 7.5, 14.0, and 16.0 GPa reverted back to its original crystalline state. When subjected to a complete loss of long-range structural order, the system was recovered as an amorphous state and did not retain the so-called structural memory. Upon heating at highmore »« less
https://doi.org/10.1021/cm050235f

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Title: Pressure induced structural transformations in amorphous MgSiO3 and CaSiO3

Citation Formats

A molecular dynamics study of the atomic structure of x(MgO) 100−x(SiO2) journal, September 2014

Generalized Gradient Approximation Made Simple journal, October 1996

Including many-body effects in models for ionic liquids journal, February 2012

Re-investigation of the crystal structure of enstatite under high-pressure conditions journal, September 2012

Q-Speciation and Network Structure Evolution in Invert Calcium Silicate Glasses journal, June 2015

Maximally localized Wannier functions: Theory and applications journal, October 2012

Structure of liquid and glassy ZnCl 2 journal, September 2010

Refinement of the crystal structure of wollastonite-2M (parawollastonite) journal, January 1984

Anionic Species Determination in CaSiO 3 Glass Using Two-Dimensional 29 Si NMR journal, May 1997

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal, September 1976

Topologically disordered networks of rigid polytopes journal, August 1990

Molecular dynamics study of CaSiO3–MgSiO3glasses under high pressure journal, June 2006

Structural investigations of magnesium silicate glasses by 29Si 2D Magic-Angle Flipping NMR journal, July 2011

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

Neutron and x-ray diffraction studies of liquids and glasses journal, November 2005

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

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

Networks under pressure: the development of in situ high-pressure neutron diffraction for glassy and liquid materials journal, March 2015

A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts journal, October 2016

Pressure-driven transformation of the ordering in amorphous network-forming materials journal, June 2016

A new order parameter for tetrahedral configurations journal, February 1998

Structure of dysprosium and holmium phosphate glasses by the method of isomorphic substitution in neutron diffraction journal, November 2003

High pressure x-ray diffraction measurements on Mg2SiO4 glass journal, July 2011

Structural ordering in a calcium silicate glass journal, October 1988

Neutron scattering lengths and cross sections journal, January 1992

2J Si−O−Si Scalar Spin−Spin Coupling in the Solid State: Crystalline and Glassy Wollastonite CaSiO3 journal, January 2009

Viscosity of liquid silica, silicates and alumino-silicates journal, June 1982

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional journal, June 2016

Evidence of different structures in magnesium silicate liquids: coordination changes in forsterite- to enstatite-composition glasses journal, December 2004

Structure of GeO 2 glass at pressures up to 8.6 GPa journal, January 2010

Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system journal, June 2007

Neutron powder diffraction at pressures beyond 25 GPa journal, April 1995

Fundamental Condition of Glass Formation journal, September 1947

Medium-range order in the cation distribution of a calcium silicate glass journal, April 1991

The structure of silicate melts: Implications for chemical and physical properties of natural magma journal, January 1982

Relationship between structural order and the anomalies of liquid water journal, January 2001

Structure and Properties of Dense Silica Glass journal, May 2012

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

‘Covalent’ effects in ‘ionic’ systems journal, January 1996

Structural investigation of Mg local environments in silicate glasses by ultra-high field 25Mg 3QMAS NMR spectroscopy journal, April 2007

Packing and the structural transformations in liquid and amorphous oxides from ambient to extreme conditions journal, June 2014

A computer simulation study of natural silicate melts. Part I: Low pressure properties journal, March 2007

Impact of pressure on the structure of glass and its material properties journal, October 2017

A molecular dynamics study of densification mechanisms in calcium silicate glasses CaSi2O5 and CaSiO3 at pressures of 5 and 10GPa journal, October 2006

Glass formation and structure in the MgSiO3–Mg2SiO4 pseudobinary system: From degraded networks to ioniclike glasses journal, September 2009

Molecular dynamics simulations of pressure and temperature effects on MgSiO3 and Mg2SiO4 melts and glasses journal, May 1991

D4c: A very high precision diffractometer for disordered materials journal, December 2002

Multinuclear NMR of CaSiO3 glass: simulation from first-principles journal, January 2010

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

Pressure-dependent structure of the null-scattering alloy Ti0.676Zr0.324 journal, May 2015

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

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

PEARL: the high pressure neutron powder diffractometer at ISIS journal, August 2016

Generalized Gradient Theory for Silica Phase Transitions journal, January 1996

Elasticity and equation of state of orthoenstatite, MgSiO 3 journal, April 2002

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

In situ X-ray diffraction study of enstatite up to 12 GPa and 1473 K and equations of state journal, October 1999

Polysynthetically-twinned structures of enstatite and wollastonite journal, April 1984

Structural evolutions of CaSiO3 and CaMgSi2O6 metasilicate glasses by static compression journal, October 2005

Viscosity of mafic magmas at high pressures: VISCOSITY OF MAGMAS AT HIGH PRESSURES journal, January 2017

Short-Range Structure of Invert Glasses along the Pseudo-Binary Join MgSiO 3 −Mg 2 SiO 4 : Results from 29 Si and 25 Mg MAS NMR Spectroscopy journal, October 2009

Angle-dispersive neutron diffraction under high pressure to 10GPa journal, January 2005

Local Structure of Magnesium in Silicate Glasses: A 25 Mg 3QMAS NMR Study journal, June 2008

Ewald summation of electrostatic multipole interactions up to the quadrupolar level journal, October 2003

Density-driven defect-mediated network collapse ofGeSe2glass journal, August 2014

Viscous flow in silica and binary liquid silicates journal, January 1955

An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients journal, April 1984

The equation of state of CaSiO3 perovskite to 108 GPa at 300 K journal, August 2000

Changes in the local environment surrounding magnesium ions in fragile MgO-SiO 2 liquids journal, January 2010

Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glasses journal, August 2011

Structural systematics of Ge substitution in primitive pyroxenes journal, January 2016

Constant pressure molecular dynamics algorithms journal, September 1994

Structural Aspects of the Electrical Resistivity of Binary Alloys journal, October 1970

Glass Formation at the Limit of Insufficient Network Formers journal, March 2004

Elasticity and pressure-induced structural changes in vitreous MgSiO3-enstatite to lower mantle pressures journal, July 2010

Thermal equation of state of CaSiO 3 perovskite journal, January 1996

Real Space Manifestation of the First Sharp Diffraction Peak in the Structure Factor of Liquid and Glassy Materials journal, May 1994

Structural Transformations on Vitrification in the Fragile Glass-Forming System CaAl 2 O 4 journal, December 2012

A molecular dynamics study of the atomic structure of x(MgO) 100−x(SiO2)
journal, September 2014

Generalized Gradient Approximation Made Simple
journal, October 1996

Including many-body effects in models for ionic liquids
journal, February 2012

Re-investigation of the crystal structure of enstatite under high-pressure conditions
journal, September 2012

Q-Speciation and Network Structure Evolution in Invert Calcium Silicate Glasses
journal, June 2015

Maximally localized Wannier functions: Theory and applications
journal, October 2012

Structure of liquid and glassy ${ZnCl}_{2}$
journal, September 2010

Refinement of the crystal structure of wollastonite-2M (parawollastonite)
journal, January 1984

Anionic Species Determination in CaSiO ₃ Glass Using Two-Dimensional ²⁹ Si NMR
journal, May 1997

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Topologically disordered networks of rigid polytopes
journal, August 1990

Molecular dynamics study of CaSiO₃–MgSiO₃glasses under high pressure
journal, June 2006

Structural investigations of magnesium silicate glasses by 29Si 2D Magic-Angle Flipping NMR
journal, July 2011

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

Neutron and x-ray diffraction studies of liquids and glasses
journal, November 2005

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

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

Networks under pressure: the development of in situ high-pressure neutron diffraction for glassy and liquid materials
journal, March 2015

A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts
journal, October 2016

Pressure-driven transformation of the ordering in amorphous network-forming materials
journal, June 2016

A new order parameter for tetrahedral configurations
journal, February 1998

Structure of dysprosium and holmium phosphate glasses by the method of isomorphic substitution in neutron diffraction
journal, November 2003

High pressure x-ray diffraction measurements on Mg2SiO4 glass
journal, July 2011

Structural ordering in a calcium silicate glass
journal, October 1988

Neutron scattering lengths and cross sections
journal, January 1992

²J Si−O−Si Scalar Spin−Spin Coupling in the Solid State: Crystalline and Glassy Wollastonite CaSiO₃
journal, January 2009

Viscosity of liquid silica, silicates and alumino-silicates
journal, June 1982

Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional
journal, June 2016

Evidence of different structures in magnesium silicate liquids: coordination changes in forsterite- to enstatite-composition glasses
journal, December 2004

Structure of ${GeO}_{2}$ glass at pressures up to 8.6 GPa
journal, January 2010

Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system
journal, June 2007

Neutron powder diffraction at pressures beyond 25 GPa
journal, April 1995

Fundamental Condition of Glass Formation
journal, September 1947

Medium-range order in the cation distribution of a calcium silicate glass
journal, April 1991

The structure of silicate melts: Implications for chemical and physical properties of natural magma
journal, January 1982

Relationship between structural order and the anomalies of liquid water
journal, January 2001

Structure and Properties of Dense Silica Glass
journal, May 2012

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

‘Covalent’ effects in ‘ionic’ systems
journal, January 1996

Structural investigation of Mg local environments in silicate glasses by ultra-high field 25Mg 3QMAS NMR spectroscopy
journal, April 2007

Packing and the structural transformations in liquid and amorphous oxides from ambient to extreme conditions
journal, June 2014

A computer simulation study of natural silicate melts. Part I: Low pressure properties
journal, March 2007

Impact of pressure on the structure of glass and its material properties
journal, October 2017

A molecular dynamics study of densification mechanisms in calcium silicate glasses CaSi2O5 and CaSiO3 at pressures of 5 and 10GPa
journal, October 2006

Glass formation and structure in the MgSiO3–Mg2SiO4 pseudobinary system: From degraded networks to ioniclike glasses
journal, September 2009

Molecular dynamics simulations of pressure and temperature effects on MgSiO3 and Mg2SiO4 melts and glasses
journal, May 1991

D4c: A very high precision diffractometer for disordered materials
journal, December 2002

Multinuclear NMR of CaSiO3 glass: simulation from first-principles
journal, January 2010

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

Pressure-dependent structure of the null-scattering alloy Ti_0.676Zr_0.324
journal, May 2015

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

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

PEARL: the high pressure neutron powder diffractometer at ISIS
journal, August 2016

Generalized Gradient Theory for Silica Phase Transitions
journal, January 1996

Elasticity and equation of state of orthoenstatite, MgSiO ₃
journal, April 2002

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

In situ X-ray diffraction study of enstatite up to 12 GPa and 1473 K and equations of state
journal, October 1999

Polysynthetically-twinned structures of enstatite and wollastonite
journal, April 1984

Structural evolutions of CaSiO3 and CaMgSi2O6 metasilicate glasses by static compression
journal, October 2005

Viscosity of mafic magmas at high pressures: VISCOSITY OF MAGMAS AT HIGH PRESSURES
journal, January 2017

Short-Range Structure of Invert Glasses along the Pseudo-Binary Join MgSiO ₃ −Mg ₂ SiO ₄ : Results from ²⁹ Si and ²⁵ Mg MAS NMR Spectroscopy
journal, October 2009

Angle-dispersive neutron diffraction under high pressure to 10GPa
journal, January 2005

Local Structure of Magnesium in Silicate Glasses: A ²⁵ Mg 3QMAS NMR Study
journal, June 2008

Ewald summation of electrostatic multipole interactions up to the quadrupolar level
journal, October 2003

Density-driven defect-mediated network collapse ofGeSe2glass
journal, August 2014

Viscous flow in silica and binary liquid silicates
journal, January 1955

An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients
journal, April 1984

The equation of state of CaSiO3 perovskite to 108 GPa at 300 K
journal, August 2000

Changes in the local environment surrounding magnesium ions in fragile MgO-SiO ₂ liquids
journal, January 2010

Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glasses
journal, August 2011

Structural systematics of Ge substitution in primitive pyroxenes
journal, January 2016

Constant pressure molecular dynamics algorithms
journal, September 1994

Structural Aspects of the Electrical Resistivity of Binary Alloys
journal, October 1970

Glass Formation at the Limit of Insufficient Network Formers
journal, March 2004

Elasticity and pressure-induced structural changes in vitreous MgSiO3-enstatite to lower mantle pressures
journal, July 2010

Thermal equation of state of CaSiO ₃ perovskite
journal, January 1996

Real Space Manifestation of the First Sharp Diffraction Peak in the Structure Factor of Liquid and Glassy Materials
journal, May 1994

Structural Transformations on Vitrification in the Fragile Glass-Forming System ${CaAl}_{2} O_{4}$
journal, December 2012