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    • Volume 45 All articles Published: 22 July 2022 Article ID 0139

      Glassy network structure of CaO-SiO$_2$ and CaO-Al$_2$O$_3$-SiO$_2$ systems

      NGUYEN VAN HONG NGUYEN VAN HUONG MAI THI LAN

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      Local structure environment and network structure of multicomponent oxide systems [CaO-SiO$_2$ (brief as CS) and CaO-Al$_2$O$_3$-SiO$_2$ (brief as CAS)] at 3500 K are investigated by molecular dynamics simulation. The local structure environment of atoms is clarified via investigation of pair-radial distribution function, coordination number distribution and topology of basic coordination units. Network structure of TOx-polyhedra (T = Al, Si; x = 3, 4, 5, 6) is clarified through investigation of distribution of linkage types. Incorporation mechanism of Ca$^{2+}$ cations into glassy network, aluminium avoidance as well as the compositional and structural heterogeneities (micro-phase separation) in CS and CAS melts are also discussed in detail.

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