Browsing by Subject dynamic heterogeneity

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  • Authors: Nguyen, Thi Thanh Ha; Nguyen, Anh Dung; Nguyen, Quang Bau; Pham, Khac Hung (2016)

  • We have studied the diffusion mechanism in network-forming liquids via molecular dynamics simulation. Two models of silica liquid at temperatures of 2600 and 3500 K have been constructed. The motion of atoms is analyzed through reactions SiOx®SiOx±1, OSiy®OSiy±1 and coordination cells. It was shown that the reactions happen not randomly in the space, but they occur more frequently with some coordination cells and bonds Si-O. This effect enhances upon lowering the temperature. The number of reactions happening in the coordination cells is strongly correlated with the mobility of CC atom. We found that there are large rigid clusters which compose of immobile atoms and exist for long tim...

Browsing by Subject dynamic heterogeneity

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
  • TL1.pdf.jpg
  • Article


  • Authors: Nguyen, Thi Thanh Ha; Nguyen, Anh Dung; Nguyen, Quang Bau; Pham, Khac Hung (2016)

  • We have studied the diffusion mechanism in network-forming liquids via molecular dynamics simulation. Two models of silica liquid at temperatures of 2600 and 3500 K have been constructed. The motion of atoms is analyzed through reactions SiOx®SiOx±1, OSiy®OSiy±1 and coordination cells. It was shown that the reactions happen not randomly in the space, but they occur more frequently with some coordination cells and bonds Si-O. This effect enhances upon lowering the temperature. The number of reactions happening in the coordination cells is strongly correlated with the mobility of CC atom. We found that there are large rigid clusters which compose of immobile atoms and exist for long tim...