Effect of substituting CaO with BaO on the viscosity and structure of CaO‐BaO‐SiO2‐MgO‐Al2O3 slags

Z Wang, I Sohn - Journal of the american Ceramic Society, 2018 - Wiley Online Library
In this study, the effect of CaO and BaO substitution on the viscosity and structure of CaO‐
BaO‐SiO2‐MgO‐Al2O3 slags was investigated. The results showed that the viscosity …

Structural, vibrational, and elastic properties of a calcium aluminosilicate glass from molecular dynamics simulations: the role of the potential

M Bauchy - The Journal of chemical physics, 2014 - pubs.aip.org
We study a calcium aluminosilicate glass of composition (SiO 2) 0.60 (Al 2 O 3) 0.10 (CaO)
0.30 by means of molecular dynamics. To this end, we conduct parallel simulations …

Molecular simulations of oxide and silicate melts and glasses

S Jahn - Reviews in Mineralogy and Geochemistry, 2022 - pubs.geoscienceworld.org
The last twenty-five years have seen a tremendous increase in computing power. It is
therefore not surprising that computer simulations of melts and glasses have become an …

Atomic-molecular perspectives on local high-temperature structure and transport properties of CaCO3-foamed glass

Z Chen, Y Wei, Y Huang, W Ji, M Yio… - … and Building Materials, 2024 - Elsevier
Significant gaps remain in understanding of gas-melt interfaces in foamed glass systems.
We attempt to address these gaps by reporting on the transition of local structure, ionic …

Exploration of the amphoteric transition of Al2O3 on melt structure and viscosity of silicate slag

W Xuan, Y Zhang - Ceramics International, 2023 - Elsevier
The amphoteric oxide Al 2 O 3 has different behaviors in different chemical environments. In
an acidic environment, Al 3+ breaks the network structure while in an alkaline environment …

Ring size distribution in silicate glasses revealed by neutron scattering first sharp diffraction peak analysis

Y Shi, J Neuefeind, D Ma, K Page… - Journal of Non …, 2019 - Elsevier
Silicate glasses have no long range order and a short range order similar to their crystalline
counter-parts. Therefore, their key structurally distinct information lies in the medium range …

Molecular dynamics study of the structural properties of calcium aluminosilicate slags with varying Al2O3/SiO2 ratios

K Zheng, Z Zhang, F Yang, S Sridhar - ISIJ international, 2012 - jstage.jst.go.jp
Molecular dynamics simulation was explored to investigate the change of structure of
calcium aluminosilicate slags with varying Al2O3/SiO2 ratios at a fixed CaO content. In …

Molecular dynamics simulation of the structure and properties for the CaO–SiO2 and CaO–Al2O3 systems

T Wu, S He, Y Liang, Q Wang - Journal of non-crystalline solids, 2015 - Elsevier
The microstructure and transport properties of CaO–SiO 2 and CaO–Al 2 O 3 systems were
studied by molecular dynamics simulations and the relations between the structure and …

Effects of the amphoteric behavior of Al2O3 on the structure and properties of CaO–SiO2–Al2O3 melts by molecular dynamics

Y Chen, W Pan, B Jia, Q Wang, X Zhang… - Journal of Non …, 2021 - Elsevier
Amphoteric oxide Al 2 O 3 is generally considered to be acidic or alkaline in different
environment. The effects of Al 2 O 3 on the structure and dynamic property of CaO–SiO 2–Al …

Structural and dynamic properties of calcium aluminosilicate melts: a molecular dynamics study

M Bouhadja, N Jakse, A Pasturel - The Journal of chemical physics, 2013 - pubs.aip.org
The structural and dynamic properties of calcium aluminosilicate (CaO–Al 2 O 3) 1− x (SiO
2) x melts with low silica content, namely, along the concentration ratio R= 1 are studied by …