• 6746 Citations
  • 40 h-Index
19992020

Research output per year

If you made any changes in Pure these will be visible here soon.

Research Output

Filter
Article
2020

Dilatometric fragility and prediction of the viscosity curve of glass-forming liquids

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

Research output: Contribution to journalArticle

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

1 Scopus citations

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. 103, 6, p. 3590-3599 10 p.

Research output: Contribution to journalArticle

Plasticity of borosilicate glasses under uniaxial tension

Lee, K. H., Yang, Y., Ding, L., Ziebarth, B., Davis, M. J. & 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

1 Scopus citations

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

Thermal expansion of silicate glass-forming systems at high temperatures from topological pruning of ring structures

Yang, Y., Tokunaga, H., Ono, M., Hayashi, K. & Mauro, J. C., Jan 1 2020, (Accepted/In press) In : Journal of the American Ceramic Society.

Research output: Contribution to journalArticle

Topological model of alkali germanate glasses and exploration of the germanate anomaly

Welch, R. S., Wilkinson, C. J., Shih, Y. T., Bødker, M. S., DeCeanne, A. V., Smedskjaer, M. M., Huang, L., Affatigato, M., Feller, S. A. & Mauro, J. C., Jan 1 2020, (Accepted/In press) In : Journal of the American Ceramic Society.

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

Why does B2O3suppress nepheline (NaAlSiO4) crystallization in sodium aluminosilicate glasses?

Deshkar, A., Gulbiten, O., Youngman, R. E., Mauro, J. C. & Goel, A., Apr 28 2020, In : Physical Chemistry Chemical Physics. 22, 16, p. 8679-8698 20 p.

Research output: Contribution to journalArticle

2019

Atomic picture of structural relaxation in silicate glasses

Song, W., Li, X., Wang, B., Anoop Krishnan, N. M., Goyal, S., Smedskjaer, M. M., Mauro, J. C., Hoover, C. G. & Bauchy, M., Jun 10 2019, In : Applied Physics Letters. 114, 23, 233703.

Research output: Contribution to journalArticle

Open Access
2 Scopus citations

Boron anomaly in the thermal conductivity of lithium borate glasses

Sørensen, S. S., Johra, H., Mauro, J. C., Bauchy, M. & Smedskjaer, M. M., Jul 1 2019, In : Physical Review Materials. 3, 7, 075601.

Research output: Contribution to journalArticle

Charge carrier mobility of alkali silicate glasses calculated by molecular dynamics

Welch, R. S., Wilkinson, C. J., Mauro, J. C. & Bragatto, C. B., May 29 2019, In : Frontiers in Materials. 6, 121.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

Crack initiation in an indented metallic glass with embedded nanoparticle

Lee, K. H., Yang, Y. & Mauro, J., Jan 14 2019, In : Journal of Applied Physics. 125, 2, 025106.

Research output: Contribution to journalArticle

1 Scopus citations

Data-driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities

De Guire, E., Bartolo, L., Brindle, R., Devanathan, R., Dickey, E. C., Fessler, J., French, R. H., Fotheringham, U., Harmer, M., Lara-Curzio, E., Lichtner, S., Maillet, E., Mauro, J., Mecklenborg, M., Meredig, B., Rajan, K., Rickman, J., Sinnott, S., Spahr, C., Suh, C. & 3 others, Tandia, A., Ward, L. & Weber, R., Nov 1 2019, In : Journal of the American Ceramic Society. 102, 11, p. 6385-6406 22 p.

Research output: Contribution to journalArticle

5 Scopus citations

Effect of water on topological constraints in silica glass

Potter, A. R., Wilkinson, C. J., Kim, S. H. & Mauro, J. C., Feb 2019, In : Scripta Materialia. 160, p. 48-52 5 p.

Research output: Contribution to journalArticle

9 Scopus citations

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. 65, 5, p. 297-321 25 p.

Research output: Contribution to journalArticle

1 Scopus citations

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

5 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
1 Scopus citations

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
1 Scopus citations

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
2 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. C., 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

9 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

Synthesis and characterization of K2O-ZnO-GeO2-SiO2 optical glasses

Luo, Y., Qu, C., Bhadu, A. & Mauro, J. C., Jan 15 2019, In : Journal of Non-Crystalline Solids. 503-504, p. 308-312 5 p.

Research output: Contribution to journalArticle

1 Scopus citations

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
8 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

1 Scopus citations

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

19 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

2018

A metal-organic framework with ultrahigh glass-forming ability

Qiao, A., Bennett, T. D., Tao, H., Krajnc, A., Mali, G., Doherty, C. M., Thornton, A. W., Mauro, J. C., Greaves, G. N. & Yue, Y., Mar 9 2018, In : Science Advances. 4, 3, eaao6827.

Research output: Contribution to journalArticle

36 Scopus citations

A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses

Wang, M., Anoop Krishnan, N. M., Wang, B., Smedskjaer, M. M., Mauro, J. C. & Bauchy, M., Oct 15 2018, In : Journal of Non-Crystalline Solids. 498, p. 294-304 11 p.

Research output: Contribution to journalArticle

34 Scopus citations

Combining high hardness and crack resistance in mixed network glasses through high-temperature densification

Kapoor, S., Januchta, K., Youngman, R. E., Guo, X., Mauro, J. C., Bauchy, M., Rzoska, S. J., Bockowski, M., Jensen, L. R. & Smedskjaer, M. M., Jun 21 2018, In : Physical Review Materials. 2, 6, 063603.

Research output: Contribution to journalArticle

7 Scopus citations

Compositional Dependence of Solubility/Retention of Molybdenum Oxides in Aluminoborosilicate-Based Model Nuclear Waste Glasses

Brehault, A., Patil, D., Kamat, H., Youngman, R. E., Thirion, L. M., Mauro, J. C., Corkhill, C. L., McCloy, J. S. & Goel, A., Feb 8 2018, In : Journal of Physical Chemistry B. 122, 5, p. 1714-1729 16 p.

Research output: Contribution to journalArticle

9 Scopus citations

Effect of nanoscale phase separation on the fracture behavior of glasses: Toward tough, yet transparent glasses

Tang, L., Anoop Krishnan, N. M., Berjikian, J., Rivera, J., Smedskjaer, M. M., Mauro, J. C., Zhou, W. & Bauchy, M., Nov 8 2018, In : Physical Review Materials. 2, 11, 113602.

Research output: Contribution to journalArticle

5 Scopus citations

Enabling Computational Design of ZIFs Using ReaxFF

Yang, Y., Kyung Shin, Y., Li, S., Bennett, T. D., Van Duin, A. & Mauro, J., Oct 18 2018, In : Journal of Physical Chemistry B. 122, 41, p. 9616-9624 9 p.

Research output: Contribution to journalArticle

3 Scopus citations