Article ID Journal Published Year Pages File Type
1485782 Journal of Non-Crystalline Solids 2007 5 Pages PDF
Abstract

In this work, molecular dynamics simulations are employed to characterize the atomic-level structure of the lanthanum aluminate Glass (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 neutron and X-ray diffraction data. The distinct contributions of each of the atom pairs reveal the observed differences in the structure factors and total distribution functions.

Related Topics
Physical Sciences and Engineering Materials Science Ceramics and Composites
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