Configurational constraints on glass formation in the liquid calcium aluminate system
James W E Drewitt, Sandro Jahn, Louis Hennet
TL;DR
This study combines advanced diffraction techniques and molecular dynamics simulations to investigate atomic-scale configurational constraints affecting glass formation in calcium-aluminate liquids.
Contribution
It introduces new time-resolved SXRD measurements and reviews recent neutron diffraction and AIM-MD simulations to understand glass-forming ability.
Findings
Structural transformations during glass formation are characterized.
Atomic-scale configurational constraints influence glass-forming ability.
Integration of experimental and simulation methods provides new insights.
Abstract
We report new time-resolved synchrotron x-ray diffraction (SXRD) measurements to track structural transformations in calcium-aluminate (CaO)x(Al2O3)1-x liquids during glass formation, and review recent progress in neutron diffraction with isotope substitution (NDIS) experiments, combined with aspherical ion model molecular dynamics (AIM-MD) simulations, to identify the atomic-scale configurational constraints on glass-forming ability.
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