Structural and compositional heterogeneities in liquid aluminosilicate: insight from a grain structure model
School of Engineering Physics, Hanoi University of Science and Technology, Hanoi, Vietnam
Received: 28 July 2016
Received in final form: 22 November 2016
Published online: 20 February 2017
Network structure as well as structural and compositional heterogeneities in aluminosilicate (Al2O3-2SiO2) under compression is investigated by analysis and visualization of simulation data. Structural and compositional heterogeneities are clarified through analysis of topology structure and size distribution of TOx-clusters (T = Si, Al; x = 3, 4, 5, 6) as well as OTy-clusters (y = 2, 3, 4). The TOx-cluster can be considered as TOx-grains. It appears that the structure of aluminosilicate is the mixture of TOx-grains with a different short-range order structure and this is the origin of structural heterogeneity. Regarding their composition, the OSiy- and OAly-clusters can be considered as silica- and alumina-grains respectively, and the structure of aluminosilicate can thus be considered to be formed from silica- and alumina-grains. This results in compositional heterogeneity. Moreover, the degree of polymerization and polyamorphism as well as dynamic heterogeneity is also discussed in detail.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2017