Structural Transformations on Vitrification in the Fragile Glass-Forming System CaAl2O4

James W. E. Drewitt*, Louis Hennet, Anita Zeidler, Sandro Jahn, Philip S. Salmon, Daniel R. Neuville, Henry E. Fischer

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

39 Citations (Scopus)

Abstract

The structure of the fragile glass-forming material CaAl2O4 was measured by applying the method of neutron diffraction with Ca isotope substitution to the laser-heated aerodynamically levitated liquid at 1973(30) K and to the glass at 300(1) K. The results, interpreted with the aid of molecular dynamics simulations, reveal key structural modifications on multiple length scales. Specifically, there is a reorganization on quenching that leads to an almost complete breakdown of the AlO5 polyhedra and threefold coordinated oxygen atoms present in the liquid, and to their replacement by a predominantly corner-sharing network of AlO4 tetrahedra in the glass. This process is accompanied by the formation of branched chains of edge and face-sharing Ca-centered polyhedra that give cationic ordering on an intermediate length scale, where the measured coordination number for O around Ca is 6.0(2) for the liquid and 6.4(2) for the glass.

Original languageEnglish
Article number235501
JournalPhysical Review Letters
Volume109
DOIs
Publication statusPublished - 5 Dec 2012

Keywords

  • CALCIUM ALUMINOSILICATE GLASSES
  • AL-27 NMR-SPECTROSCOPY
  • X-RAY-ABSORPTION
  • HIGH-TEMPERATURE
  • ALUMINATE GLASSES
  • SILICATE MELTS
  • NEUTRON-DIFFRACTION
  • MOLECULAR-DYNAMICS
  • RAMAN-SPECTROSCOPY
  • HIGH-PRESSURE

Cite this