Pressure as a probe of the network-forming versus network-modifying role of Mg in silicate glass

DOI

We will use pressure as a probe of the network-forming versus network-modifying role of Mg in MgSiO3 glass, one of a family of geophysically important silicate materials that form a significant component of the Earth's mantle. Motivation is provided by the capability of Mg to act as a network former in magnesium silicate glasses, a role that stems from the ability of Mg to form structural motifs with a small Mg-O coordination number of ~4 that can fit into a silicate network with minimal disruption. With increasing pressure, however, Mg will transform into a network-modifying role as the Mg-O coordination number increases. Pressure can therefore be used as a tuneable probe of the network-forming versus network-modifying role of this additive, an issue that is important for understanding the fundamentals of modified network glass-forming materials. The changes to the network topology will be modelled by using molecular dynamics simulations with a polarisable ion model.

Identifier
DOI https://doi.org/10.5291/ILL-DATA.6-05-975
Metadata Access https://data.ill.fr/openaire/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=10.5291/ILL-DATA.6-05-975
Provenance
Creator Zeidler, Anita; Polidori, Annalisa; Moody, Gregory; Fischer, Henry; Buscemi, Michela; Salmon, Philip Stephen; Klotz, Stefan
Publisher Institut Laue-Langevin
Publication Year 2016
Rights OpenAccess; info:eu-repo/semantics/openAccess
OpenAccess true
Representation
Resource Type Dataset
Size 227 MB
Version 1
Discipline Particles, Nuclei and Fields