Composition dependence of the atomic structures and properties of sodium aluminosilicate glasses: molecular dynamics simulations with reactive and nonreactive …
Understanding the composition–structure–property relations of glass materials is essential
for their technological applications. In this study, the structures and properties of a series of …
for their technological applications. In this study, the structures and properties of a series of …
Hybrid machine learning/physics-based approach for predicting oxide glass-forming ability
CJ Wilkinson, C Trivelpiece, R Hust, RS Welch… - Acta Materialia, 2022 - Elsevier
Predicting the liquid compositions that will vitrify at experimentally accessible quench rates
remains one of the grand challenges in the field of condensed matter physics. This glass …
remains one of the grand challenges in the field of condensed matter physics. This glass …
Revisiting metastable immiscibility in SiO2–Al2O3: Structure and phase separation of supercooled liquids and glasses
SK Wilke, CJ Benmore, V Menon… - Journal of the …, 2023 - Wiley Online Library
Understanding and controlling liquid–liquid phase separation in aluminosilicates is crucial
for optimizing glass properties. However, the metastable nature of aluminosilicates' phase …
for optimizing glass properties. However, the metastable nature of aluminosilicates' phase …
Phase separation in mullite-composition glass
Aluminosilicates (AS) are ubiquitous in ceramics, geology, and planetary science, and their
glassy forms underpin vital technologies used in displays, waveguides, and lasers. In spite …
glassy forms underpin vital technologies used in displays, waveguides, and lasers. In spite …
Statistical mechanical modeling of glass-forming systems: A practical review considering an example calcium silicate system
CJ Wilkinson, CL Trivelpiece, JC Mauro - Current Opinion in Solid State …, 2022 - Elsevier
Abstract The Glass Genome has only started to be explored. To advance the next generation
design of glasses, both physics-informed and data-driven models must be widely available …
design of glasses, both physics-informed and data-driven models must be widely available …
Octahedral oxide glass network in ambient pressure neodymium titanate
Rare-earth titanates form very fragile liquids that can be made into glasses with useful
optical properties. We investigate the atomic structure of 83TiO2-17Nd2O3 glass using pair …
optical properties. We investigate the atomic structure of 83TiO2-17Nd2O3 glass using pair …
Effect of BaO/Al2O3 molar ratio on the viscosity and structure of CaOSiO2MgOAl2O3BaO slag
Y Hou, S Zhang, J Guo, H Zhou, X Lv - Journal of Non-Crystalline Solids, 2024 - Elsevier
In this study, the effect of BaO/Al 2 O 3 molar ratio on the viscosity and structure of CaOsingle
bondSiO 2 single bondMgOsingle bondAl 2 O 3 single bondBaO slag was investigated. The …
bondSiO 2 single bondMgOsingle bondAl 2 O 3 single bondBaO slag was investigated. The …
High‐coordinated alumina and oxygen triclusters in modified aluminosilicate glasses
RS Welch, S Astle, RE Youngman… - International Journal of …, 2022 - Wiley Online Library
Aluminosilicate glasses are ubiquitous in high‐performance displays due to their favorable
thermal, mechanical, and optical properties. They also exhibit interesting structural features …
thermal, mechanical, and optical properties. They also exhibit interesting structural features …
Molecular dynamics simulations of magnesium aluminosilicate glass structure: High‐coordinated alumina and oxygen tricluster formation
Previous research has shown a consistent discrepancy in the reported structure of alkaline
earth aluminosilicate glasses using molecular dynamics (MD) simulations versus nuclear …
earth aluminosilicate glasses using molecular dynamics (MD) simulations versus nuclear …
Flowability and structural evolution of CaO-SiO2-MgO-Al2O3 slag with varying MgO/CaO ratios: Experiments and MD simulations
S Zhang, Y Hou, J Guo, H Zhou, X Lv - Journal of Non-Crystalline Solids, 2024 - Elsevier
In this study, the effect of MgO/CaO mass ratio on the flowability and structure of CaO-28
wt.% SiO 2− MgO-22 wt.% Al 2 O 3 slag was investigated. It was found that the viscosity first …
wt.% SiO 2− MgO-22 wt.% Al 2 O 3 slag was investigated. It was found that the viscosity first …