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

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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.

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Authors and Affiliations

  1. School of Engineering Physics, Hanoi University of Science and Technology, Hanoi, Vietnam

    Hong Van Nguyen, Duong Thuy Tran & Hung Khac Pham

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  1. Hong Van Nguyen
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  2. Duong Thuy Tran
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  3. Hung Khac Pham
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Correspondence to Hong Van Nguyen.

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Van Nguyen, H., Tran, D.T. & Pham, H.K. Structural and compositional heterogeneities in liquid aluminosilicate: insight from a grain structure model. Eur. Phys. J. B 90, 37 (2017). https://doi.org/10.1140/epjb/e2017-70458-4

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  • DOI: https://doi.org/10.1140/epjb/e2017-70458-4

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