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dc.contributor.authorNguyen, Thi Thanh Ha-
dc.contributor.authorTran, Thuy Duong-
dc.contributor.authorNguyen, Hoai Anh-
dc.date.accessioned2020-06-23T09:14:22Z-
dc.date.available2020-06-23T09:14:22Z-
dc.date.issued2020-
dc.identifier.citationNguyen, T. T. H., et al. (2020). The microstructural transformation and dynamical properties in sodium-silicate: Molecular dynamics simulation. VNU Journal of Science: Mathematics – Physics, Vol. 36, No. 2 (2020) 37-46.vi
dc.identifier.issn2588-1124-
dc.identifier.urihttp://repository.vnu.edu.vn/handle/VNU_123/89119-
dc.description.abstractMolecular dynamics simulation of sodium-silicate has been carried out to investigate the microstructural transformation and diffusion mechanism. The microstructure of sodium silicate is studied by the pair radial distribution function, distribution of SiOx (x=4,5,6), OSiy (y=2,3) basic unit, bond angle distribution. The simulation results show that the structure of sodium silicate occurs the transformation from a tetrahedral structure to an octahedral structure under pressure. The additional network-modifying cation oxide breaking up this network by the generation of non-bridging O atoms and it has a slight effect on the topology of SiOx and OSiy units. Moreover, the diffusion of network- former atom in sodium-silicate melt is anomaly and diffusion coefficient for sodium atom is much larger than for oxygen or silicon atom. The simulation proves two diffusion mechanisms of the network-former atoms and modifier atoms.vi
dc.language.isoenvi
dc.publisherH. : ĐHQGHNvi
dc.relation.ispartofseriesMathematics and Physics;-
dc.subjectMolecular dynamicsvi
dc.subjectMicrostructural transformationvi
dc.subjectMechanism diffusionvi
dc.subjectSodium-silicatevi
dc.titleThe microstructural transformation and dynamical properties in sodium-silicate: Molecular dynamics simulationvi
dc.typeArticlevi
Appears in Collections:Mathematics and Physics


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  • Full metadata record
    DC FieldValueLanguage
    dc.contributor.authorNguyen, Thi Thanh Ha-
    dc.contributor.authorTran, Thuy Duong-
    dc.contributor.authorNguyen, Hoai Anh-
    dc.date.accessioned2020-06-23T09:14:22Z-
    dc.date.available2020-06-23T09:14:22Z-
    dc.date.issued2020-
    dc.identifier.citationNguyen, T. T. H., et al. (2020). The microstructural transformation and dynamical properties in sodium-silicate: Molecular dynamics simulation. VNU Journal of Science: Mathematics – Physics, Vol. 36, No. 2 (2020) 37-46.vi
    dc.identifier.issn2588-1124-
    dc.identifier.urihttp://repository.vnu.edu.vn/handle/VNU_123/89119-
    dc.description.abstractMolecular dynamics simulation of sodium-silicate has been carried out to investigate the microstructural transformation and diffusion mechanism. The microstructure of sodium silicate is studied by the pair radial distribution function, distribution of SiOx (x=4,5,6), OSiy (y=2,3) basic unit, bond angle distribution. The simulation results show that the structure of sodium silicate occurs the transformation from a tetrahedral structure to an octahedral structure under pressure. The additional network-modifying cation oxide breaking up this network by the generation of non-bridging O atoms and it has a slight effect on the topology of SiOx and OSiy units. Moreover, the diffusion of network- former atom in sodium-silicate melt is anomaly and diffusion coefficient for sodium atom is much larger than for oxygen or silicon atom. The simulation proves two diffusion mechanisms of the network-former atoms and modifier atoms.vi
    dc.language.isoenvi
    dc.publisherH. : ĐHQGHNvi
    dc.relation.ispartofseriesMathematics and Physics;-
    dc.subjectMolecular dynamicsvi
    dc.subjectMicrostructural transformationvi
    dc.subjectMechanism diffusionvi
    dc.subjectSodium-silicatevi
    dc.titleThe microstructural transformation and dynamical properties in sodium-silicate: Molecular dynamics simulationvi
    dc.typeArticlevi
    Appears in Collections:Mathematics and Physics


  • The Microstructural Transformation and Dynamical Properti...
    • Size : 797,92 kB

    • Format : Adobe PDF

    • View : 
    • Download :