Network cavity, spatial distribution of sodium and dynamics in sodium silicate melts

Molecular dynamics simulation is carried out for studying the structure and dynamics of sodium silicate melts using the network cavity (NC), NF (network former) cluster and NC cluster. The simulation shows that an NC contains up to six Na, and its radius varies from 1.4 to 4.5 Å. The number of Na at...

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Veröffentlicht in:	Journal of materials science 2020-03, Vol.55 (7), p.2870-2880
Hauptverfasser:	Van, To Ba, Hung, P. K., Vinh, L. T., Ha, N. T. T., San, L. T., Noritake, Fumiya
Format:	Artikel
Sprache:	eng
Schlagworte:	Analysis Atomic properties Characterization and Evaluation of Materials Chemical bonds Chemistry and Materials Science Classical Mechanics Clusters Computation & Theory Computer simulation Crystallography and Scattering Methods Density Diffusion Dynamic structural analysis Materials Science Melts Molecular dynamics Organic chemistry Polymer Sciences Silicon dioxide Sodium Sodium silicates Solid Mechanics Spatial distribution
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