title: Packing and the structural transformations in liquid and amorphous oxides from ambient to extreme conditions.
abstract: Liquid and glassy oxide materials play a vital role in multiple scientific and technological disciplines, but little is known about the part played by oxygen-oxygen interactions in the structural transformations that change their physical properties. Here we show that the coordination number of network-forming structural motifs, which play a key role in defining the topological ordering, can be rationalized in terms of the oxygen-packing fraction over an extensive pressure and temperature range. The result is a structural map for predicting the likely regimes of topological change for a range of oxide materials. This information can be used to forecast when changes may occur to the transport properties and compressibility of, e.g., fluids in planetary interiors, and is a prerequisite for the preparation of new materials following the principles of rational design.
authors: Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom; p.s.salmon@bath.ac.uk a.zeidler@bath.ac.uk.
authors: Anita
authors: A
authors: Zeidler
authors: Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom; p.s.salmon@bath.ac.uk a.zeidler@bath.ac.uk.
authors: Philip Stephen
authors: http://orcid.org/0000-0001-8671-1011
authors: PS
authors: Salmon
authors: Mineral Physics Institute, State University of New York, Stony Brook, NY 11794-2100;Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439; andMaterials Development, Inc., Arlington Heights, IL 60004.
authors: Lawrie Basil
authors: LB
authors: Skinner
keywords: high pressure; high temperature; network structures; oxide ion radius; oxygen packing