Browsing by Author Tran, Thuy Duong

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  • The Microstructural Transformation and Dynamical Properties in Sodium-silicate Molecular Dynamics Simulation.pdf.jpg
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  • Authors: Nguyen, Thi Thanh Ha; Tran, Thuy Duong; Nguyen, Hoai Anh (2020)

  • Molecular 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 netw...

Browsing by Author Tran, Thuy Duong

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 1 of 1
  • The Microstructural Transformation and Dynamical Properties in Sodium-silicate Molecular Dynamics Simulation.pdf.jpg
  • Article


  • Authors: Nguyen, Thi Thanh Ha; Tran, Thuy Duong; Nguyen, Hoai Anh (2020)

  • Molecular 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 netw...