• 6508 Citations
  • 39 h-Index
19992020

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2019

Effects of water on the mechanical properties of silica glass using molecular dynamics

Mei, H., Yang, Y., van Duin, A. C. T., Sinnott, S. B., Mauro, J. C., Liu, L. & Fu, Z., Oct 1 2019, In : Acta Materialia. 178, p. 36-44 9 p.

Research output: Contribution to journalArticle

2 Scopus citations

Liquid fragility determination of oxide glass-formers using temperature-modulated DSC

Bechgaard, T. K., Gulbiten, O., Mauro, J., Yue, Y., Bauchy, M. & Smedskjaer, M. M., Jul 1 2019, In : International Journal of Applied Glass Science. 10, 3, p. 321-329 9 p.

Research output: Contribution to journalArticle

Model-driven design of bioactive glasses: from molecular dynamics through machine learning

Montazerian, M., Zanotto, E. D. & Mauro, J. C., Jan 1 2019, (Accepted/In press) In : International Materials Reviews.

Research output: Contribution to journalArticle

Modifier clustering and avoidance principle in borosilicate glasses: A molecular dynamics study

Wang, M., Smedskjaer, M. M., Mauro, J. C. & Bauchy, M., Jan 28 2019, In : Journal of Chemical Physics. 150, 4, 044502.

Research output: Contribution to journalArticle

1 Scopus citations

Optical properties of a melt-quenched metal–organic framework glass

Qiao, A., Tao, H., Carson, M. P., Aldrich, S. W., Thirion, L. M., Bennett, T. D., Mauro, J. C. & Yue, Y., Apr 1 2019, In : Optics Letters. 44, 7, p. 1623-1625 3 p.

Research output: Contribution to journalArticle

1 Scopus citations

Perspectives on the scientific career and impact of Prabhat K. Gupta

Varshneya, A. K., Zanotto, E. D. & Mauro, J. C., Mar 2019, In : Journal of Non-Crystalline Solids: X. 1, 100011.

Research output: Contribution to journalArticle

Open Access

Predicting Composition-Structure Relations in Alkali Borosilicate Glasses Using Statistical Mechanics

Bødker, M. S., Sørensen, S. S., Mauro, J. C. & Smedskjaer, M. M., Jul 26 2019, In : Frontiers in Materials. 6, 175.

Research output: Contribution to journalArticle

Open Access

Quantifying the internal stress in over-constrained glasses by molecular dynamics simulations

Li, X., Song, W., Smedskjaer, M. M., Mauro, J. C. & Bauchy, M., Mar 2019, In : Journal of Non-Crystalline Solids: X. 1, 100013.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

Quantitative prediction of the structure and properties of Li2O–Ta2O5–SiO2 glasses via phase diagram approach

Tan, L., Mauro, J. C., Peng, J., Yang, X. & Peng, M., Jan 2019, In : Journal of the American Ceramic Society. 102, 1, p. 185-194 10 p.

Research output: Contribution to journalArticle

1 Scopus citations

Relative abundance of subsurface hydroxyl and molecular water species in silicate and aluminosilicate glasses

Luo, J., Amma, S. I., Chen, L., Ngo, D., Mauro, J. C., Pantano, C. G. & Kim, S. H., Apr 15 2019, In : Journal of Non-Crystalline Solids. 510, p. 179-185 7 p.

Research output: Contribution to journalArticle

3 Scopus citations

Simulation of glass network evolution during chemical strengthening: Resolution of the subsurface compression maximum anomaly

Macrelli, G., Varshneya, A. K. & Mauro, J., Oct 15 2019, In : Journal of Non-Crystalline Solids. 522, 119457.

Research output: Contribution to journalArticle

Statistical Mechanical Modeling of Borate Glass Structure and Topology: Prediction of Superstructural Units and Glass Transition Temperature

Bødker, M. S., Mauro, J. C., Youngman, R. E. & Smedskjaer, M. M., Feb 7 2019, In : Journal of Physical Chemistry B. 123, 5, p. 1206-1213 8 p.

Research output: Contribution to journalArticle

7 Scopus citations
Open Access
4 Scopus citations

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

Kirchner, K. A., Bødker, M. S., Smedskjaer, M. M., Kim, S. H. & Mauro, J. C., Sep 5 2019, In : Journal of Physical Chemistry B. 123, 35, p. 7640-7648 9 p.

Research output: Contribution to journalArticle

Structure, properties, and fabrication of calcium aluminate-based glasses

Lin, Y., Smedskjaer, M. M. & Mauro, J., Oct 1 2019, In : International Journal of Applied Glass Science. 10, 4, p. 488-501 14 p.

Research output: Contribution to journalArticle

The relativistic glass transition: A thought experiment

Wilkinson, C. J., Doss, K., Palmer, G. & Mauro, J. C., Jun 2019, In : Journal of Non-Crystalline Solids: X. 2, 100018.

Research output: Contribution to journalArticle

Open Access

Topological constraint model for the elasticity of glass-forming systems

Wilkinson, C. J., Zheng, Q., Huang, L. & Mauro, J. C., Jun 2019, In : Journal of Non-Crystalline Solids: X. 2, 100019.

Research output: Contribution to journalArticle

Open Access
6 Scopus citations

Topological constraint model of high lithium content borate glasses

Takeda, W., Wilkinson, C. J., Feller, S. A. & Mauro, J. C., Sep 2019, In : Journal of Non-Crystalline Solids: X. 3, 100028.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

Topological Control of Water Reactivity on Glass Surfaces: Evidence of a Chemically Stable Intermediate Phase

Wilkinson, C. J., Doss, K., Hahn, S. H., Keilbart, N., Potter, A. R., Smith, N. J., Dabo, I., Van Duin, A. C. T., Kim, S. H. & Mauro, J. C., Jun 26 2019, In : Journal of Physical Chemistry Letters. 10, 14, p. 3955-3960 6 p.

Research output: Contribution to journalArticle

Topological model for Bi2O3-NaPO3 glasses. I. Prediction of glass transition temperature and fragility

Lee, K. H., Zheng, Q., Ren, J., Wilkinson, C. J., Yang, Y., Doss, K. & Mauro, J. C., Oct 1 2019, In : Journal of Non-Crystalline Solids. 521, 119534.

Research output: Contribution to journalArticle

Topological Origins of the Mixed Alkali Effect in Glass

Wilkinson, C. J., Potter, A. R., Welch, R. S., Bragatto, C., Zheng, Q., Bauchy, M., Affatigato, M., Feller, S. A. & Mauro, J. C., Jul 9 2019, In : Journal of Physical Chemistry B. 123, 34, p. 7482-7489 8 p.

Research output: Contribution to journalArticle

2 Scopus citations

Understanding Glass through Differential Scanning Calorimetry

Zheng, Q., Zhang, Y., Montazerian, M., Gulbiten, O., Mauro, J. C., Zanotto, E. D. & Yue, Y., Jul 10 2019, In : Chemical Reviews. 119, 13, p. 7848-7939 92 p.

Research output: Contribution to journalArticle

13 Scopus citations

Understanding the molar volume of alkali-alkaline earth-silicate glasses via Voronoi polyhedra analysis

Yang, Y., Tokunaga, H., Ono, M., Hayashi, K. & Mauro, J. C., Jun 2019, In : Scripta Materialia. 166, p. 1-5 5 p.

Research output: Contribution to journalArticle

2020

Evaluation of classical interatomic potentials for molecular dynamics simulations of borosilicate glasses

Lee, K. H., Yang, Y., Ziebarth, B., Mannstadt, W., Davis, M. J. & Mauro, J. C., Jan 15 2020, In : Journal of Non-Crystalline Solids. 528, 119736.

Research output: Contribution to journalArticle

Glass-activated regeneration of volumetric muscle loss

Jia, W., Hu, H., Li, A., Deng, H., Hogue, C. L., Mauro, J. C., Zhang, C. & Fu, Q., Feb 2020, In : Acta Biomaterialia. 103, p. 306-317 12 p.

Research output: Contribution to journalArticle

KineticPy: A tool to calculate long-time kinetics in energy landscapes with broken ergodicity

Mauro, Y. Z., Wilkinson, C. J. & Mauro, J. C., Jan 1 2020, In : SoftwareX. 11, 100393.

Research output: Contribution to journalArticle

Open Access

Maxwell relaxation time for nonexponential α-relaxation phenomena in glassy systems

Doss, K., Wilkinson, C. J., Yang, Y., Lee, K. H., Huang, L. & Mauro, J. C., Jan 1 2020, (Accepted/In press) In : Journal of the American Ceramic Society.

Research output: Contribution to journalArticle

Predicting Ionic Diffusion in Glass from Its Relaxation Behavior

Wilkinson, C. J., Doss, K., Cassar, D. R., Welch, R. S., Bragatto, C. B. & Mauro, J. C., Feb 13 2020, In : Journal of Physical Chemistry B. 124, 6, p. 1099-1103 5 p.

Research output: Contribution to journalArticle

Relating structural disorder and melting in complex mixed ligand zeolitic imidazolate framework glasses

Ríos Gómez, M. L., Lampronti, G. I., Yang, Y., Mauro, J. C. & Bennett, T. D., Jan 1 2020, In : Dalton Transactions. 49, 3, p. 850-857 8 p.

Research output: Contribution to journalArticle

Signatures of criticality in mining accidents and recurrent neural network forecasting model

Doss, K., Hanshew, A. S. & Mauro, J. C., Jan 1 2020, In : Physica A: Statistical Mechanics and its Applications. 537, 122656.

Research output: Contribution to journalArticle

Topological understanding of the mixed alkaline earth effect in glass

Ding, Z., Wilkinson, C. J., Zheng, J., Lin, Y., Liu, H., Shen, J., Kim, S. H., Yue, Y., Ren, J., Mauro, J. C. & Zheng, Q., Jan 1 2020, In : Journal of Non-Crystalline Solids. 527, 119696.

Research output: Contribution to journalArticle

1 Scopus citations