Experimental method to quantify the ring size distribution in silicate glasses and simulation validation thereof

Q Zhou, Y Shi, B Deng, J Neuefeind, M Bauchy - Science advances, 2021 - science.org
Silicate glasses have no long-range order and exhibit a short-range order that is often fairly
similar to that of their crystalline counterparts. Hence, the out-of-equilibrium nature of …

Analysis of structure evolution and performance in alkali-free glass substrates via XPS and infrared: Boron-aluminum anomaly

Q Huang, J Liu, X He, T Liu, A Lu - Journal of Non-Crystalline Solids, 2021 - Elsevier
In this paper, the effect of boron-aluminum anomaly on the structure-performance of alkali-
free glass substrates is investigated, aiming to provide key guidance for the optimization and …

Atomistic insights into the mixed-alkali effect in phosphosilicate glasses

A Atila, Y Ouldhnini, S Ouaskit, A Hasnaoui - Physical Review B, 2022 - APS
Oxide glasses have proven useful as bioactive materials, owing to their fast degradation
kinetics and tunable properties. Hence, in recent years tailoring the properties of bioactive …

Cooling rate effects on the structure of 45S5 bioglass: Insights from experiments and simulations

P Bhaskar, R Kumar, Y Maurya, R Ravinder… - Journal of Non …, 2020 - Elsevier
Due to its ability to bond with living tissues upon dissolution, 45S5 bioglass and related
compositions materials are extensively used for the replacement, regeneration, and repair of …

New insights into the early stage nucleation of calcium carbonate gels by reactive molecular dynamics simulations

L Qin, X Mao, Y Cui, J Bao, G Sant, T Chen… - The Journal of …, 2022 - pubs.aip.org
The precipitation of calcium carbonate (CaCO 3) is a key mechanism in carbon capture
applications relying on mineralization. In that regard, Ca-rich cementitious binders offer a …

A modified random network model for P 2 O 5–Na 2 O–Al 2 O 3–SiO 2 glass studied by molecular dynamics simulations

Y Zhao, J Du, X Cao, C Zhang, G Xu, X Qiao, Y Liu… - RSC …, 2021 - pubs.rsc.org
We investigated the short-and medium-range structural features of sodium aluminosilicate
glasses with various P2O5 (0–7 mol%) content and Al/Na ratios ranging from 0.667 to 2.000 …

Influence of CaF2 addition on structure and luminescence properties of the Na2O–CaO–SiO2–Al2O3–ZnO–P2O5 glass co-doped with Ce3+/Yb3+

Z Zhou, W Lei, P Zhang, H Liang, Z Luo, A Lu - Optical Materials, 2022 - Elsevier
Abstract Na 2 O–CaO–SiO 2–Al 2 O 3–ZnO–P 2 O 5–CaF 2 glasses co-doped with Ce 3+/Yb
3+ ions were obtained. The effects of added CaF 2 on the glass structure, stability, and …

Elucidating the influence of structure and Ag+-Na+ ion-exchange on crack-resistance and ionic conductivity of Na3Al1. 8Si1. 65P1. 8O12 glass electrolyte

SR Keshri, I Mandal, S Ganisetti, S Kasimuthumaniyan… - Acta Materialia, 2022 - Elsevier
Glasses are emerging as promising and efficient solid electrolytes for all-solid-state sodium-
ion batteries. However, they still suffer from poor ionic conductivity and crack-resistance …

Sm-composition engineering of (Hf, Zr, Ta, Sm) B2 high-entropy diborides for superior oxidation resistance

Z Wen, Y Liu, H Yu, S Jiang, Y Qin, Y Chu - Corrosion Science, 2024 - Elsevier
Herein we realize the development of (Hf, Zr, Ta, Sm) B 2 high-entropy diborides (HEBs-Sm)
with superior oxidation resistance by engineering the compositions of Sm. Specifically …

Effect of irradiation on the atomic structure of borosilicate glasses

R Kumar, A Jan, M Bauchy… - Journal of the American …, 2021 - Wiley Online Library
Borosilicate glasses incorporating high‐level nuclear waste are exposed to high‐energy
radiations during their storage in the deep geological repositories. However, the effect of …