Atomic picture of structural relaxation in silicate glasses

Weiying Song, Xin Li, Bu Wang, N. M. Anoop Krishnan, Sushmit Goyal, Morten Mattrup Smedskjær, John C. Mauro, Christian G. Hoover, Mathieu Bauchy

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1 Citation (Scopus)

Abstract

As nonequilibrium materials, glasses continually relax toward the supercooled liquid state. However, the atomic-scale origin and mechanism of glass relaxation remain unclear. Here, based on molecular dynamics simulations of sodium silicate glasses quenched with varying cooling rates, we show that structural relaxation occurs through the transformation of small silicate rings into larger ones. We demonstrate that this mechanism is driven by the fact that small rings (<6-membered) are topologically overconstrained and experience some internal stress. At the atomic level, such stress manifests itself by a competition between radial and angular constraints, wherein the weaker bond-bending constraints yield to the stronger bond-stretching ones. These results strongly echo von Neumann's N - 6 rule in grain growth theory and suggest that the stability of both atomic rings and two-dimensional crystal grains is fully topological in nature.

Original languageEnglish
Article number233703
JournalApplied Physics Letters
Volume114
Issue number23
Number of pages5
ISSN0003-6951
DOIs
Publication statusPublished - 12 Jun 2019

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silicates
glass
rings
sodium silicates
residual stress
echoes
molecular dynamics
cooling
liquids
crystals
simulation

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Song, W., Li, X., Wang, B., Krishnan, N. M. A., Goyal, S., Smedskjær, M. M., ... Bauchy, M. (2019). Atomic picture of structural relaxation in silicate glasses. Applied Physics Letters, 114(23), [233703]. https://doi.org/10.1063/1.5095529
Song, Weiying ; Li, Xin ; Wang, Bu ; Krishnan, N. M. Anoop ; Goyal, Sushmit ; Smedskjær, Morten Mattrup ; Mauro, John C. ; Hoover, Christian G. ; Bauchy, Mathieu. / Atomic picture of structural relaxation in silicate glasses. In: Applied Physics Letters. 2019 ; Vol. 114, No. 23.
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Song, W, Li, X, Wang, B, Krishnan, NMA, Goyal, S, Smedskjær, MM, Mauro, JC, Hoover, CG & Bauchy, M 2019, 'Atomic picture of structural relaxation in silicate glasses', Applied Physics Letters, vol. 114, no. 23, 233703. https://doi.org/10.1063/1.5095529

Atomic picture of structural relaxation in silicate glasses. / Song, Weiying; Li, Xin; Wang, Bu; Krishnan, N. M. Anoop; Goyal, Sushmit; Smedskjær, Morten Mattrup; Mauro, John C.; Hoover, Christian G.; Bauchy, Mathieu.

In: Applied Physics Letters, Vol. 114, No. 23, 233703, 12.06.2019.

Research output: Contribution to journalJournal articleResearchpeer-review

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