TY - JOUR
T1 - Topological model for Bi2O3-NaPO3 glasses. I. Prediction of glass transition temperature and fragility
AU - Lee, Kuo Hao
AU - Zheng, Qiuju
AU - Ren, Jinjun
AU - Wilkinson, Collin J.
AU - Yang, Yongjian
AU - Doss, Karan
AU - Mauro, John C.
N1 - Funding Information:
Q. Zheng would like to acknowledge support by National Natural Science Foundation of China (51802165), Shandong Provincial Natural Science Foundation, China (ZR2017LEM007), and Qilu University of Technology (Shandong Academy of Sciences) International Joint Research Funding (QLUTGJHZ2018024). J.C. Mauro is grateful for support from the U.S. National Science Foundation (CMMI 1762275). We declare no competing interests. The authors have no conflicts of interest.
Funding Information:
Q. Zheng would like to acknowledge support by National Natural Science Foundation of China (51802165), Shandong Provincial Natural Science Foundation, China (ZR2017LEM007), and Qilu University of Technology (Shandong Academy of Sciences) International Joint Research Funding (QLUTGJHZ2018024). J.C. Mauro is grateful for support from the U.S. National Science Foundation ( CMMI 1762275 ).
Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2019/10/1
Y1 - 2019/10/1
N2 - In this report, a topological constraint model is developed to predict the glass transition temperature (Tg) and liquid fragility (m) of xBi2O3·(1-x)NaPO3 glass-forming systems by considering the hierarchy of temperature-dependent constraints, including contributions from the modifying cations (Bi3+ and Na+). The model is shown to give an accurate prediction of the Tg and m as a function of composition (x). The increase of Tg with x is mainly caused by the formation of the Bi—O linear constraints and also contributions from O–Bi–O angular constraints, which increase the connectivity of the network. The model also accurately predicts the trend of m with composition, which shows a minimum at around x = 5 mol% due to the competition between the contributions from the Na—O linear constraints and the O–Bi–O angular constraints.
AB - In this report, a topological constraint model is developed to predict the glass transition temperature (Tg) and liquid fragility (m) of xBi2O3·(1-x)NaPO3 glass-forming systems by considering the hierarchy of temperature-dependent constraints, including contributions from the modifying cations (Bi3+ and Na+). The model is shown to give an accurate prediction of the Tg and m as a function of composition (x). The increase of Tg with x is mainly caused by the formation of the Bi—O linear constraints and also contributions from O–Bi–O angular constraints, which increase the connectivity of the network. The model also accurately predicts the trend of m with composition, which shows a minimum at around x = 5 mol% due to the competition between the contributions from the Na—O linear constraints and the O–Bi–O angular constraints.
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U2 - 10.1016/j.jnoncrysol.2019.119534
DO - 10.1016/j.jnoncrysol.2019.119534
M3 - Article
AN - SCOPUS:85068048165
SN - 0022-3093
VL - 521
JO - Journal of Non-Crystalline Solids
JF - Journal of Non-Crystalline Solids
M1 - 119534
ER -