Temperature-dependent structural heterogeneity in calcium silicate liquids

BENMORE, C. J., WEBER, J. K. R., WILDING, Martin, DU, J. and PARISE, J. B. (2010). Temperature-dependent structural heterogeneity in calcium silicate liquids. Physical Review B, 82 (22), p. 224202.

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Official URL: https://journals.aps.org/prb/abstract/10.1103/Phys...
Link to published version:: https://doi.org/10.1103/PhysRevB.82.224202
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    X-ray diffraction measurements performed on aerodynamically levitated CaSiO3 droplets have been interpreted using a structurally heterogeneous liquid-state model. When cooled, the high-temperature liquid shows evidence of the polymerization of edge shared Ca octahedra. Diffraction isosbestic points are used to characterize the polymerization process in the pair-distribution function. This behavior is linear in the high-temperature melt but exhibits rapid growth just above the glass transition temperature around 1.2Tg. The heterogeneous liquid interpretation is supported by molecular-dynamics simulations which show the CaSiO3 glass has more edge-shared polyhedra and fewer corner shared polyhedra than the liquid model.

    Item Type: Article
    Research Institute, Centre or Group - Does NOT include content added after October 2018: Materials and Engineering Research Institute > Engineering Research
    Departments - Does NOT include content added after October 2018: Faculty of Science, Technology and Arts > Department of Engineering and Mathematics
    Identification Number: https://doi.org/10.1103/PhysRevB.82.224202
    Page Range: p. 224202
    Depositing User: Martin Wilding
    Date Deposited: 04 Jul 2018 10:08
    Last Modified: 18 Mar 2021 11:45
    URI: https://shura.shu.ac.uk/id/eprint/21485

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