The structure of liquid aluminosilicate under AI2O3 content: simplexes and shell core analyses
2021 ◽
Vol 2070
(1)
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pp. 012063
Keyword(s):
Abstract The structural properties of xAl2O3(1-x)SiO2 liquid systems have been investi-gated by molecular dynamics simulation in a wide range of compositions, x = 0.05–0.7 at 3000 K. The structure of liquid aluminosilicate system is clarified by analyzing the simplex and shell-core. The simulated results showed that the liquid consists of a large quantity of void-simplex, O-simplex, T-simplex, and SC-particle. Our simulation reveals that the densification of the liquid is due to the fact that the number of large simplexes and the radii of simplexes and SC-particles decrease. Besides, results also indicated that the distribution of cations in the liquid is not uniform.
1980 ◽
Vol 10
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pp. 2581-2594
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2015 ◽
Vol 60
(8)
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pp. 2188-2196
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2020 ◽
Vol 152
(8)
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pp. 084503
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2019 ◽
Vol 150
(6)
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pp. 064501
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