A model for phosphate glass topology considering the modifying ion sub-network (Journal of Chemical Physics (2014) 140 (154501))

Research output: Contribution to journalComment/debate

2 Citations (Scopus)

Abstract

In a recent paper, Hermansen, Mauro, and Yue [J. Chem. Phys. 140, 154501 (2014)] applied the temperature-dependent constraint theory to model both the glass transition temperature, Tg, and fragility, m, of a series of binary alkali phosphate glasses of the form R 2 O x P 2 O 5 1 - x, where R represents an alkali species. Key to their success seems to be the retention of linear constraints between the alkali ion (R+) and the non-bridging oxygens near Tg, which allows the model to mimic a supposed minimum for both Tg(x) and m(x) located near x = 0.2. However, the authors have overlooked several recent studies that clearly show there is no minimum in m(x). We argue that the retention of the alkali ion constraints at these temperatures is unjustified and question whether the model calculations can be revised to meet the actual experimental data. We also discuss alternative interpretations for the fragility based on two-state thermodynamics that can accurately account for its compositional dependence.

Original languageEnglish
Article number107103
JournalJournal of Chemical Physics
Volume142
Issue number10
DOIs
StatePublished - Mar 14 2015

Fingerprint

Alkalies
alkalies
phosphates
topology
Physics
Phosphates
Topology
Ions
Glass
physics
glass
ions
Constraint theory
glass transition temperature
Thermodynamics
Oxygen
Temperature
thermodynamics
temperature
oxygen

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

@article{d029321162744844aecdad51faf230f5,
title = "A model for phosphate glass topology considering the modifying ion sub-network (Journal of Chemical Physics (2014) 140 (154501))",
abstract = "In a recent paper, Hermansen, Mauro, and Yue [J. Chem. Phys. 140, 154501 (2014)] applied the temperature-dependent constraint theory to model both the glass transition temperature, Tg, and fragility, m, of a series of binary alkali phosphate glasses of the form R 2 O x P 2 O 5 1 - x, where R represents an alkali species. Key to their success seems to be the retention of linear constraints between the alkali ion (R+) and the non-bridging oxygens near Tg, which allows the model to mimic a supposed minimum for both Tg(x) and m(x) located near x = 0.2. However, the authors have overlooked several recent studies that clearly show there is no minimum in m(x). We argue that the retention of the alkali ion constraints at these temperatures is unjustified and question whether the model calculations can be revised to meet the actual experimental data. We also discuss alternative interpretations for the fragility based on two-state thermodynamics that can accurately account for its compositional dependence.",
author = "Sidebottom, {David L.}",
year = "2015",
month = "3",
day = "14",
doi = "10.1063/1.4913760",
language = "English",
volume = "142",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "10",

}

TY - JOUR

T1 - A model for phosphate glass topology considering the modifying ion sub-network (Journal of Chemical Physics (2014) 140 (154501))

AU - Sidebottom, David L.

PY - 2015/3/14

Y1 - 2015/3/14

N2 - In a recent paper, Hermansen, Mauro, and Yue [J. Chem. Phys. 140, 154501 (2014)] applied the temperature-dependent constraint theory to model both the glass transition temperature, Tg, and fragility, m, of a series of binary alkali phosphate glasses of the form R 2 O x P 2 O 5 1 - x, where R represents an alkali species. Key to their success seems to be the retention of linear constraints between the alkali ion (R+) and the non-bridging oxygens near Tg, which allows the model to mimic a supposed minimum for both Tg(x) and m(x) located near x = 0.2. However, the authors have overlooked several recent studies that clearly show there is no minimum in m(x). We argue that the retention of the alkali ion constraints at these temperatures is unjustified and question whether the model calculations can be revised to meet the actual experimental data. We also discuss alternative interpretations for the fragility based on two-state thermodynamics that can accurately account for its compositional dependence.

AB - In a recent paper, Hermansen, Mauro, and Yue [J. Chem. Phys. 140, 154501 (2014)] applied the temperature-dependent constraint theory to model both the glass transition temperature, Tg, and fragility, m, of a series of binary alkali phosphate glasses of the form R 2 O x P 2 O 5 1 - x, where R represents an alkali species. Key to their success seems to be the retention of linear constraints between the alkali ion (R+) and the non-bridging oxygens near Tg, which allows the model to mimic a supposed minimum for both Tg(x) and m(x) located near x = 0.2. However, the authors have overlooked several recent studies that clearly show there is no minimum in m(x). We argue that the retention of the alkali ion constraints at these temperatures is unjustified and question whether the model calculations can be revised to meet the actual experimental data. We also discuss alternative interpretations for the fragility based on two-state thermodynamics that can accurately account for its compositional dependence.

UR - http://www.scopus.com/inward/record.url?scp=84924873673&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84924873673&partnerID=8YFLogxK

U2 - 10.1063/1.4913760

DO - 10.1063/1.4913760

M3 - Comment/debate

VL - 142

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 10

M1 - 107103

ER -