PNNL

Abstract

Rare earth aluminate binary systems have technological importance in optical and structural applications, and are of scientific interest in that the super cooled liquid of rare earth aluminate melts display polyamorphic phase transitions. In this work, molecular dynamics simulations are employed to study the structure of the LAG glass. Partial structure factors and pair distribution functions obtained from the simulated glass structure are used to determine the contributions of specific components of the glass to the various peaks of x-ray and neutron diffraction data.