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    • Keywords


      Glassy network; silicate melt; structural heterogeneities; topology of basic coordination units.

    • Abstract


      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.

    • Author Affiliations



      1. School of Engineering Physics, Hanoi University of Science and Technology, Hanoi 100000, Vietnam
    • Dates

  • Bulletin of Materials Science | News

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      Posted on October 12, 2020

      Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
      Chemical Sciences 2020

      Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
      Physical Sciences 2020

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

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