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

  • Hong Van NguyenEmail author
  • Duong Thuy Tran
  • Hung Khac Pham
Regular Article
  • 52 Downloads

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.

Keywords

Solid State and Materials 

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Copyright information

© EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2017

Authors and Affiliations

  • Hong Van Nguyen
    • 1
    Email author
  • Duong Thuy Tran
    • 1
  • Hung Khac Pham
    • 1
  1. 1.School of Engineering Physics, Hanoi University of Science and TechnologyHanoiVietnam

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