TY - JOUR
T1 - Topological constraint model of high lithium content borate glasses
AU - Takeda, Wataru
AU - Wilkinson, Collin J.
AU - Feller, Steven A.
AU - Mauro, John C.
N1 - Funding Information:
The authors would like to thank the NSF ( DMR 1746230 ) for funding of this research, Dr. Caio Braggatto is acknowledged for useful discussions.
Publisher Copyright:
© 2019
PY - 2019/9
Y1 - 2019/9
N2 - Lithium borate glasses exhibit the “boron anomaly” and clustering of the lithium ions. Bødker et.al (Bødker, Mauro, Youngman, & Smedskjaer, 2019) predicted the Tg using statistical mechanics and topological constraint theory (TCT) over a wide range of contents (to 65 mol% Li2O). Although Bødker's model predicted the fraction of the structures present, this paper examines the linkage between intermediate-range structures and properties of the glasses. Tg was found using TCT with the structural model of Feller, Dell, and Bray (Feller, Dell, Bray, 1982). The topology of the intermediate-range structure was related to rigidity, and to lithium clustering.
AB - Lithium borate glasses exhibit the “boron anomaly” and clustering of the lithium ions. Bødker et.al (Bødker, Mauro, Youngman, & Smedskjaer, 2019) predicted the Tg using statistical mechanics and topological constraint theory (TCT) over a wide range of contents (to 65 mol% Li2O). Although Bødker's model predicted the fraction of the structures present, this paper examines the linkage between intermediate-range structures and properties of the glasses. Tg was found using TCT with the structural model of Feller, Dell, and Bray (Feller, Dell, Bray, 1982). The topology of the intermediate-range structure was related to rigidity, and to lithium clustering.
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U2 - 10.1016/j.nocx.2019.100028
DO - 10.1016/j.nocx.2019.100028
M3 - Article
AN - SCOPUS:85069983012
SN - 2590-1591
VL - 3
JO - Journal of Non-Crystalline Solids: X
JF - Journal of Non-Crystalline Solids: X
M1 - 100028
ER -