Structure heterogeneity and diffusion in sodium-silicate melts through analysis of Voronoi polyhedron

2020 ◽  
Vol 28 (6) ◽  
pp. 065012
Author(s):  
To Ba Van ◽  
L T Vinh ◽  
P K Hung ◽  
Fumiya Noritake ◽  
N T T Ha
Keyword(s):  
Sodium Silicate ◽  
Silicate Melts ◽  
Voronoi Polyhedron ◽  
Structure Heterogeneity ◽  
And Diffusion

scholarly journals Raman scattering coefficients of symmetrical stretching modes of microstructural units in sodium silicate melts

2005 ◽  
Vol 54 (2) ◽  
pp. 961
Author(s):  
Wu Yong-Quan ◽  
Jiang Guo-Chang ◽  
You Jing-Lin ◽  
Hou Huai-Yu ◽  
Chen Hui
Keyword(s):  
Raman Scattering ◽  
Sodium Silicate ◽  
Silicate Melts ◽  
Scattering Coefficients

Viscosity of titania-bearing sodium silicate melts

1996 ◽  
Vol 128 (1-4) ◽  
pp. 199-206 ◽  
Author(s):  
Marek Liška ◽  
Peter Šimurka ◽  
Jozef Antalík ◽  
Peter Perichta
Keyword(s):  
Sodium Silicate ◽  
Silicate Melts

In situ electrochemical investigation of copper in binary sodium silicate melts at 1000 °C

1995 ◽  
Vol 40 (12) ◽  
pp. 1933-1938 ◽  
Author(s):  
J.-Y. Tilquin ◽  
E. Herman ◽  
J. Glibert ◽  
P. Claes
Keyword(s):  
Sodium Silicate ◽  
Silicate Melts ◽  
Electrochemical Investigation

The dynamics and structure heterogeneity of aluminum-silicate melts: Molecular dynamics simulation

2017 ◽  
Vol 31 (15) ◽  
pp. 1750127 ◽  
Author(s):  
T. H. T. Nguyen ◽  
Y. V. Nguyen ◽  
H. K. Pham ◽  
H. V. Nguyen
Keyword(s):  
Local Environment ◽  
Structural Heterogeneity ◽  
Dynamics Simulation ◽  
Silicate Melts ◽  
Aluminum Silicate ◽  
Positive Pressure ◽  
Dynamic Heterogeneity ◽  
Large Space ◽  
Type Form ◽  
Structure Heterogeneity

We have performed a new analysis on the dynamics and structure to investigate the aluminum-silicate melt under pressure. It is shown that the low-pressure configuration of the melt exhibits dynamic heterogeneity. The mobile and immobile atoms tend to reside in regions which have extremely high or low density. We reveal two moving types: the simply hopping or collective moving via supermolecule. The latter type is responsible for the positive pressure dependence on diffusivity. The structure is analyzed via SC-particle and SC-cluster. Our simulation reveals the structural heterogeneity in local environment and chemical composition. The densification of the melt is accompanied with the decreasing of the radius of core of SC-particle and the number of large SC-particles. We found that the liquid comprises two types of SC-particles. The SC-clusters of second type form large space regions which represent the diffusion pathway for aluminum.

scholarly journals Distribution of Sodium and Diffusion Mechanism in Sodium Silicate Liquid

2019 ◽  
Vol 35 (3) ◽  
Author(s):  
Nguyen Thi Thanh Ha
Keyword(s):  
Distribution Function ◽  
Sodium Silicate ◽  
Structural Characteristics ◽  
Diffusion Mechanism ◽  
Silicate Liquid ◽  
Parallel Processes ◽  
Resident Time ◽  
Simulation Results ◽  
The One ◽  
And Diffusion

Molecular dynamic simulation is employed to study the structural properties and diffusion mechanism in sodium silicate (Na2O.4SiO4). Structural characteristics are clarified through the pair radial distribution function, distribution of SiOx coordination units, network structure. The simulation results reveal the structure of Na2O.4SiO4 liquid consists of one Si-O network that is mainly formed by SiO4 units. The spatial distribution of sodium is non-uniform; sodium tends to be in the non-bridging oxygen-simplexes and in larger-radius simplex. Moreover, the sodium density for non-bridging oxygen region is significantly higher than the one for other region. Further, we find that Si and O diffuse by bond break-reformation mechanism, while the motion of Na consists of two parallel processes. Firstly, Na atoms hop from one to another O within a disordered network where each bridging oxygen (BO) has one site, while a non-bridging oxygen (NBO) possesses two sites. The average resident time for Na staying near NBO is much longer than that near BO.

An Analysis of Structure Heterogeneity of Lithium Silicate Melts

2018 ◽  
pp. 285-292
Author(s):  
Vu Tri Vien ◽  
Mai Van Dung ◽  
Nguyen Manh Tuan ◽  
Tran Thanh Nam ◽  
Le The Vinh
Keyword(s):  
Silicate Melts ◽  
Lithium Silicate ◽  
Structure Heterogeneity

Channel diffusion in sodium silicate melts

Neutron News ◽  
2012 ◽  
Vol 23 (3) ◽  
pp. 35-37 ◽  
Author(s):  
A. Meyer ◽  
F. Kargl ◽  
J. Horbach
Keyword(s):  
Sodium Silicate ◽  
Silicate Melts
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