Local microstructure of amorphous Al₂O₃

Abstract

We present a microstructure study of different amorphous states of Al2O3, which are constructed by compressing the original glass to different pressure and then decompressing. The local microstructure of these states is analyzed through the coordination number, bond‐angle statistics, the characteristics of voids and void aggregations. The simulation results indicate the possibility of amorphous–amorphous phase transition from low‐density to high‐density Al2O3 with gradual variation in density and other structural properties. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

Lithium Transport in Amorphous Al2O3 and AlF3 for Discovery of Battery Coatings

“…Our calculated RDFs for a -Al 2 O 3 and a -AlF 3 are shown in Figure and for a -Al 2 O 3 , we compare with experimental observations. This comparison suggests that, for a -Al 2 O 3 , the calculated position and shape of the peaks agree very well with observations . Unfortunately, to the authors’ best knowledge, there are no a -AlF 3 RDF observations available to compare with our calculated results.…”

“…This comparison suggests that, for a-Al 2 O 3 , the calculated position and shape of the peaks agree very well with observations. 19 Unfortunately, to the authors' best knowledge, there are no a-AlF 3 RDF observations available to compare with our calculated results. From the peak position in the calculated RDF for a-AlF 3 , the average Al−F bond is about 1.86 Å, which is higher than the corresponding calculated Al−F bond in crystalline phase 1.80 Å.…”

Characterization of Structural Transition and Heterogeneity under Compression for Liquid Al2O3 Using Molecular Dynamics Simulation

“…Miguel et al [21] found that more than 50% of Al atoms are tetrahedral coordinated at four different temperatures. According to Hoang et al [22] and Hung et al [23], they showed the clear evidence of structural transition in liquid Al2O3 from a tetrahedral to an octahedral network. The voids created a very large hole with a volume five times bigger than that of the aluminum atom.…”