Temperature-dependent structural heterogeneity in calcium silicate liquids

C. J. Benmore, J. K. R. Weber, M. C. Wilding, J. Du, J. B. Parise

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Abstract

X-ray diffraction measurements performed on aerodynamically levitated CaSiO(3) 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 1.2T(g). The heterogeneous liquid interpretation is supported by molecular-dynamics simulations which show the CaSiO(3) glass has more edge-shared polyhedra and fewer corner shared polyhedra than the liquid model.

Original languageEnglish
Article numberARTN 224202
Number of pages6
JournalPhysical Review B
Volume82
Issue number22
DOIs
Publication statusPublished - 07 Dec 2010

Keywords

  • MELTS
  • SCATTERING
  • DIFFRACTION
  • MOLECULAR-DYNAMICS SIMULATIONS
  • GLASS-TRANSITION

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