Statistical Mechanical Model of Topological Fluctuations and the Intermediate Phase in Binary Phosphate Glasses

Katelyn A. Kirchner, Mikkel S. Bødker, Morten M. Smedskjaer, Seong Kim, John Mauro

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish (US)
Pages (from-to)7640-7648
Number of pages9
JournalJournal of Physical Chemistry B
Volume123
Issue number35
DOIs
StatePublished - Sep 5 2019

Fingerprint

phosphates
Phosphates
Glass
glass
Constraint theory
topology
Topology
Statistical mechanics
statistical mechanics
Chemical analysis
Temperature
temperature

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

Cite this

Kirchner, Katelyn A. ; Bødker, Mikkel S. ; Smedskjaer, Morten M. ; Kim, Seong ; Mauro, John. / Statistical Mechanical Model of Topological Fluctuations and the Intermediate Phase in Binary Phosphate Glasses. In: Journal of Physical Chemistry B. 2019 ; Vol. 123, No. 35. pp. 7640-7648.
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Statistical Mechanical Model of Topological Fluctuations and the Intermediate Phase in Binary Phosphate Glasses. / Kirchner, Katelyn A.; Bødker, Mikkel S.; Smedskjaer, Morten M.; Kim, Seong; Mauro, John.

In: Journal of Physical Chemistry B, Vol. 123, No. 35, 05.09.2019, p. 7640-7648.

Research output: Contribution to journalArticle

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