TY - JOUR
T1 - Statistical Mechanical Model of Topological Fluctuations and the Intermediate Phase in Binary Phosphate Glasses
AU - Kirchner, Katelyn A.
AU - Bødker, Mikkel S.
AU - Smedskjaer, Morten M.
AU - Kim, Seong H.
AU - Mauro, John C.
N1 - Funding Information:
We thank Punit Boolchand for his invaluable guidance and providing his preprint manuscript experimentally exploring the intermediate phase in sodium phosphate glasses. M.M.S. acknowledges funding from the Independent Research Fund Denmark (Grant No. 7017-00019). J.C.M. acknowledges funding from the U.S. National Science Foundation (#1928546 and #1928538).
Publisher Copyright:
Copyright © 2019 American Chemical Society.
PY - 2019/9/5
Y1 - 2019/9/5
N2 - Glasses are topologically disordered materials with varying degrees of fluctuations in structure and topology. This study links statistical mechanics and topological constraint theory to quantify the degree of topological fluctuations in binary phosphate glasses. Because fluctuations are a potential mechanism enabling self-organization, we investigated the ability of phosphate glasses to adapt their topology to mitigate localized stresses, e.g., in the formation of a stress-free intermediate phase. Results revealed the dependency of both glass composition and temperature in governing the ability of a glass network to relax localized stresses and achieve an ideal, isostatic state; also, the possibility of a second intermediate phase at higher modifier content was found.
AB - Glasses are topologically disordered materials with varying degrees of fluctuations in structure and topology. This study links statistical mechanics and topological constraint theory to quantify the degree of topological fluctuations in binary phosphate glasses. Because fluctuations are a potential mechanism enabling self-organization, we investigated the ability of phosphate glasses to adapt their topology to mitigate localized stresses, e.g., in the formation of a stress-free intermediate phase. Results revealed the dependency of both glass composition and temperature in governing the ability of a glass network to relax localized stresses and achieve an ideal, isostatic state; also, the possibility of a second intermediate phase at higher modifier content was found.
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U2 - 10.1021/acs.jpcb.9b05932
DO - 10.1021/acs.jpcb.9b05932
M3 - Article
C2 - 31404490
AN - SCOPUS:85072330602
SN - 1520-6106
VL - 123
SP - 7640
EP - 7648
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
IS - 35
ER -