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Structural and compositional heterogeneities in liquid aluminosilicate: insight from a grain structure model

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  • Hong Van Nguyen

    (School of Engineering Physics, Hanoi University of Science and Technology)

  • Duong Thuy Tran

    (School of Engineering Physics, Hanoi University of Science and Technology)

  • Hung Khac Pham

    (School of Engineering Physics, Hanoi University of Science and Technology)

Abstract

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 TO x -clusters (T = Si, Al; x = 3, 4, 5, 6) as well as OT y -clusters (y = 2, 3, 4). The TO x -cluster can be considered as TO x -grains. It appears that the structure of aluminosilicate is the mixture of TO x -grains with a different short-range order structure and this is the origin of structural heterogeneity. Regarding their composition, the OSi y - and OAl y -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.

Suggested Citation

  • Hong Van Nguyen & Duong Thuy Tran & Hung Khac Pham, 2017. "Structural and compositional heterogeneities in liquid aluminosilicate: insight from a grain structure model," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 90(2), pages 1-10, February.
    • Handle: RePEc:spr:eurphb:v:90:y:2017:i:2:d:10.1140_epjb_e2017-70458-4
    DOI: 10.1140/epjb/e2017-70458-4
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    Keywords

    Solid State and Materials;

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