Networks under pressure

the development of in situ high-pressure neutron diffraction for glassy and liquid materials

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Abstract

The pressure-driven collapse in the structure of network-forming materials will be considered in the gigapascal (GPa) regime, where the development of in situ high-pressure neutron diffraction has enabled this technique to obtain new structural information. The improvements to the neutron diffraction methodology are discussed, and the complementary nature of the results is illustrated by considering the pressure-driven structural transformations for several key network-forming materials that have also been investigated by using other experimental techniques such as x-ray diffraction, inelastic x-ray scattering, x-ray absorption spectroscopy and Raman spectroscopy. A starting point is provided by the pressure-driven network collapse of the prototypical network-forming oxide glasses B2O3, SiO2 and GeO2. Here, the combined results help to show that the coordination number of network-forming structural motifs in a wide range of glassy and liquid oxide materials can be rationalised in terms of the oxygen-packing fraction over an extensive pressure and temperature range. The pressure-driven network collapse of the prototypical chalcogenide glass GeSe2 is also considered where, as for the case of glassy GeO2, site-specific structural information is now available from the method of in situ high-pressure neutron diffraction with isotope substitution. The application of in situ high-pressure neutron diffraction to other structurally disordered network-forming materials is also summarised. In all of this work a key theme concerns the rich diversity in the mechanisms of network collapse, which drive the changes in physico-chemical properties of these materials. A more complete picture of the mechanisms is provided by molecular dynamics simulations using theoretical schemes that give a good account of the experimental results.
Original languageEnglish
Article number133201
JournalJournal of Physics: Condensed Matter
Volume27
Issue number13
Early online date6 Mar 2015
DOIs
Publication statusPublished - 10 Apr 2015

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Neutron diffraction
neutron diffraction
Liquids
liquids
X rays
Oxides
Glass
oxides
glass
x ray scattering
Absorption spectroscopy
x ray absorption
coordination number
Isotopes
chemical properties
Chemical properties
x ray spectroscopy
Raman spectroscopy
Molecular dynamics
absorption spectroscopy

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title = "Networks under pressure: the development of in situ high-pressure neutron diffraction for glassy and liquid materials",
abstract = "The pressure-driven collapse in the structure of network-forming materials will be considered in the gigapascal (GPa) regime, where the development of in situ high-pressure neutron diffraction has enabled this technique to obtain new structural information. The improvements to the neutron diffraction methodology are discussed, and the complementary nature of the results is illustrated by considering the pressure-driven structural transformations for several key network-forming materials that have also been investigated by using other experimental techniques such as x-ray diffraction, inelastic x-ray scattering, x-ray absorption spectroscopy and Raman spectroscopy. A starting point is provided by the pressure-driven network collapse of the prototypical network-forming oxide glasses B2O3, SiO2 and GeO2. Here, the combined results help to show that the coordination number of network-forming structural motifs in a wide range of glassy and liquid oxide materials can be rationalised in terms of the oxygen-packing fraction over an extensive pressure and temperature range. The pressure-driven network collapse of the prototypical chalcogenide glass GeSe2 is also considered where, as for the case of glassy GeO2, site-specific structural information is now available from the method of in situ high-pressure neutron diffraction with isotope substitution. The application of in situ high-pressure neutron diffraction to other structurally disordered network-forming materials is also summarised. In all of this work a key theme concerns the rich diversity in the mechanisms of network collapse, which drive the changes in physico-chemical properties of these materials. A more complete picture of the mechanisms is provided by molecular dynamics simulations using theoretical schemes that give a good account of the experimental results.",
author = "Salmon, {Philip S} and Anita Zeidler",
year = "2015",
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language = "English",
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AU - Salmon, Philip S

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N2 - The pressure-driven collapse in the structure of network-forming materials will be considered in the gigapascal (GPa) regime, where the development of in situ high-pressure neutron diffraction has enabled this technique to obtain new structural information. The improvements to the neutron diffraction methodology are discussed, and the complementary nature of the results is illustrated by considering the pressure-driven structural transformations for several key network-forming materials that have also been investigated by using other experimental techniques such as x-ray diffraction, inelastic x-ray scattering, x-ray absorption spectroscopy and Raman spectroscopy. A starting point is provided by the pressure-driven network collapse of the prototypical network-forming oxide glasses B2O3, SiO2 and GeO2. Here, the combined results help to show that the coordination number of network-forming structural motifs in a wide range of glassy and liquid oxide materials can be rationalised in terms of the oxygen-packing fraction over an extensive pressure and temperature range. The pressure-driven network collapse of the prototypical chalcogenide glass GeSe2 is also considered where, as for the case of glassy GeO2, site-specific structural information is now available from the method of in situ high-pressure neutron diffraction with isotope substitution. The application of in situ high-pressure neutron diffraction to other structurally disordered network-forming materials is also summarised. In all of this work a key theme concerns the rich diversity in the mechanisms of network collapse, which drive the changes in physico-chemical properties of these materials. A more complete picture of the mechanisms is provided by molecular dynamics simulations using theoretical schemes that give a good account of the experimental results.

AB - The pressure-driven collapse in the structure of network-forming materials will be considered in the gigapascal (GPa) regime, where the development of in situ high-pressure neutron diffraction has enabled this technique to obtain new structural information. The improvements to the neutron diffraction methodology are discussed, and the complementary nature of the results is illustrated by considering the pressure-driven structural transformations for several key network-forming materials that have also been investigated by using other experimental techniques such as x-ray diffraction, inelastic x-ray scattering, x-ray absorption spectroscopy and Raman spectroscopy. A starting point is provided by the pressure-driven network collapse of the prototypical network-forming oxide glasses B2O3, SiO2 and GeO2. Here, the combined results help to show that the coordination number of network-forming structural motifs in a wide range of glassy and liquid oxide materials can be rationalised in terms of the oxygen-packing fraction over an extensive pressure and temperature range. The pressure-driven network collapse of the prototypical chalcogenide glass GeSe2 is also considered where, as for the case of glassy GeO2, site-specific structural information is now available from the method of in situ high-pressure neutron diffraction with isotope substitution. The application of in situ high-pressure neutron diffraction to other structurally disordered network-forming materials is also summarised. In all of this work a key theme concerns the rich diversity in the mechanisms of network collapse, which drive the changes in physico-chemical properties of these materials. A more complete picture of the mechanisms is provided by molecular dynamics simulations using theoretical schemes that give a good account of the experimental results.

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