Accelerating the Design of Functional Glasses through Modeling

John Mauro, Adama Tandia, K. Deenamma Vargheese, Yihong Z. Mauro, Morten M. Smedskjaer

Research output: Contribution to journalArticle

61 Citations (Scopus)

Abstract

Functional glasses play a critical role in current and developing technologies. These materials have traditionally been designed empirically through trial-and-error experimentation. However, here we report recent advancements in the design of new glass compositions starting at the atomic level, which have become possible through an unprecedented level of understanding of glass physics and chemistry. For example, new damage-resistant glasses have been developed using models that predict both manufacturing-related attributes (e.g., viscosity, liquidus temperature, and refractory compatibility), as well as the relevant end-use properties of the glass (e.g., elastic moduli, compressive stress, and damage resistance). We demonstrate how this approach can be used to accelerate the design of new industrial glasses for use in various applications. Through a combination of models at different scales, from atomistic through empirical modeling, it is now possible to decode the "glassy genome" and efficiently design optimized glass compositions for production at an industrial scale.

Original languageEnglish (US)
Pages (from-to)4267-4277
Number of pages11
JournalChemistry of Materials
Volume28
Issue number12
DOIs
StatePublished - Jun 28 2016

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Glass
Chemical analysis
Compressive stress
Refractory materials
Physics
Genes
Elastic moduli
Viscosity
Temperature

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

Cite this

Mauro, J., Tandia, A., Vargheese, K. D., Mauro, Y. Z., & Smedskjaer, M. M. (2016). Accelerating the Design of Functional Glasses through Modeling. Chemistry of Materials, 28(12), 4267-4277. https://doi.org/10.1021/acs.chemmater.6b01054
Mauro, John ; Tandia, Adama ; Vargheese, K. Deenamma ; Mauro, Yihong Z. ; Smedskjaer, Morten M. / Accelerating the Design of Functional Glasses through Modeling. In: Chemistry of Materials. 2016 ; Vol. 28, No. 12. pp. 4267-4277.
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Mauro, J, Tandia, A, Vargheese, KD, Mauro, YZ & Smedskjaer, MM 2016, 'Accelerating the Design of Functional Glasses through Modeling', Chemistry of Materials, vol. 28, no. 12, pp. 4267-4277. https://doi.org/10.1021/acs.chemmater.6b01054

Accelerating the Design of Functional Glasses through Modeling. / Mauro, John; Tandia, Adama; Vargheese, K. Deenamma; Mauro, Yihong Z.; Smedskjaer, Morten M.

In: Chemistry of Materials, Vol. 28, No. 12, 28.06.2016, p. 4267-4277.

Research output: Contribution to journalArticle

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