Hardness of oxynitride glasses

Topological origin

Georgiana L. Paraschiv, Sinue Gomez, John Mauro, Lothar Wondraczek, Yuanzheng Yue, Morten M. Smedskjaer

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

Oxynitride glasses are mixed-anion systems, in which the 2-fold coordinated oxygen atoms have been partially substituted by 3-fold coordinated nitrogen atoms. This so-called nitridation process introduces additional bonds and thereby constrains and compacts the glass network and consequently alters the glass hardness. To explore how and why hardness varies with the degree of nitridation, we have derived a topological model of oxynitride glass hardness using temperature-dependent constraint theory, by which the scaling of glass hardness with nitrogen content can be predicted. a linear model has been derived based on the assumption that the substitution of oxygen atoms with nitrogen atoms is responsible for the hardness increase due to the increase in the number (n) of bond-bending and bond-angular constraints. It turns out that the model agrees with the experimental observation, i.e., an approximate positive linear trend of the hardness change with nitrogen content is observed for a wide range of glass compositions. The topological model may thus be useful for designing new oxynitride glass compositions with targeted hardness values.

Original languageEnglish (US)
Pages (from-to)4109-4115
Number of pages7
JournalJournal of Physical Chemistry B
Volume119
Issue number10
DOIs
StatePublished - Mar 12 2015

Fingerprint

oxynitrides
hardness
Hardness
Glass
glass
Nitrogen
Atoms
Nitridation
nitrogen atoms
oxygen atoms
Constraint theory
Oxygen
nitrogen
Chemical analysis
Anions
Substitution reactions
Negative ions
substitutes
anions
trends

All Science Journal Classification (ASJC) codes

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

Cite this

Paraschiv, G. L., Gomez, S., Mauro, J., Wondraczek, L., Yue, Y., & Smedskjaer, M. M. (2015). Hardness of oxynitride glasses: Topological origin. Journal of Physical Chemistry B, 119(10), 4109-4115. https://doi.org/10.1021/jp512235t
Paraschiv, Georgiana L. ; Gomez, Sinue ; Mauro, John ; Wondraczek, Lothar ; Yue, Yuanzheng ; Smedskjaer, Morten M. / Hardness of oxynitride glasses : Topological origin. In: Journal of Physical Chemistry B. 2015 ; Vol. 119, No. 10. pp. 4109-4115.
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Paraschiv, GL, Gomez, S, Mauro, J, Wondraczek, L, Yue, Y & Smedskjaer, MM 2015, 'Hardness of oxynitride glasses: Topological origin', Journal of Physical Chemistry B, vol. 119, no. 10, pp. 4109-4115. https://doi.org/10.1021/jp512235t

Hardness of oxynitride glasses : Topological origin. / Paraschiv, Georgiana L.; Gomez, Sinue; Mauro, John; Wondraczek, Lothar; Yue, Yuanzheng; Smedskjaer, Morten M.

In: Journal of Physical Chemistry B, Vol. 119, No. 10, 12.03.2015, p. 4109-4115.

Research output: Contribution to journalArticle

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Paraschiv GL, Gomez S, Mauro J, Wondraczek L, Yue Y, Smedskjaer MM. Hardness of oxynitride glasses: Topological origin. Journal of Physical Chemistry B. 2015 Mar 12;119(10):4109-4115. https://doi.org/10.1021/jp512235t