Tailoring the Structure of Disordered Solids using Statistical Mechanics

Publikation

Publikationer pr. år 2018 2018 2019 2020 2022 2023

• 19 Tidsskriftartikel
• 5 Konferenceabstrakt til konference
• 3 Poster

Publikationer pr. år

Publikationer pr. år

Søgeresultater

• 2023

  Beyond the Average: Spatial and Temporal Fluctuations in Oxide Glass-Forming Systems

  Kirchner, K. A., Cassar, D. R., Zanotto, E. D., Ono, M., Kim, S. H., Doss, K., Bødker, M. L., Smedskjær, M. M., Kohara, S., Tang, L., Bauchy, M., Wilkinson, C. J., Yang, Y., Welch, R. S., Mancini, M. & Mauro, J. C., 2023, I: Chemical Reviews. 123, 4, s. 1774–1840

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  • Oxide Glass 100%
  • Glass 100%
  • Physical Property 50%
  • Crystallization 25%
  • Glass Property 25%
  10 Citationer (Scopus)
• 2022

  Deciphering a structural signature of glass dynamics by machine learning

  Liu, H., Smedskjær, M. M. & Bauchy, M., 20 dec. 2022, I: Physical Review B. 106, 21, 12 s., 214206.

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  • Glass 100%
  • Atom 83%
  • Ion Mobility 50%
  • Reaction Activation Energy 16%
  • Transport Property 16%
  5 Citationer (Scopus)

• Impact of network topology on the thermal and mechanical properties of lithium germanate glasses

  Sørensen, S. S., To, T., Christensen, J. F. S., Johra, H. & Smedskjaer, M. M., feb. 2022, I: Journal of the American Ceramic Society. 105, 2, s. 977–989 13 s.

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  • Fracture Toughness 100%
  • Germanate 100%
  • Lithium 100%
  • Glass 100%
  • Network Topology 100%
  3 Citationer (Scopus)

  32 Downloads (Pure)

• Predicting glass structure by physics-informed machine learning

  Bødker, M. S., Bauchy, M., Du, T., Mauro, J. C. & Smedskjær, M. M., 9 sep. 2022, I: npj Computational Materials. 8, 1, 9 s., 192.

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  • Glass 100%
  • Models 100%
  • Structure (Composition) 25%
  • Oxide Glass 25%
  • Glass Composition 25%
  9 Citationer (Scopus)

  63 Downloads (Pure)

• Statistical mechanical model for the formation of octahedral silicon in phosphosilicate glasses

  Bødker, M. L., Pedersen, J. B., Muñoz, F., Mauro, J. C. & Smedskjaer, M. M., feb. 2022, I: Journal of the American Ceramic Society. 105, 2, s. 1031–1038 8 s.

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  • Glass 100%
  • Silicon 100%
  • Silicate Glass 10%
  • Borosilicate 10%
  4 Citationer (Scopus)

  5 Downloads (Pure)

• StatMechGlass: Python based software for composition–structure prediction in oxide glasses using statistical mechanics

  Bødker, M. S., Wilkinson, C. J., Mauro, J. C. & Smedskjær, M. M., 2022, I: SoftwareX. 17, 5 s., 100913.

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  • Oxide Glass 100%
  • Glass 75%
  • Short-Range Order 50%
  • Glass Composition 25%
  4 Citationer (Scopus)

  75 Downloads (Pure)

• Thermal conduction in a densified oxide glass: Insights from lattice dynamics

  Sørensen, S. S., Cielecki, P. P., Johra, H., Bockowski, M., Skovsen, E., Yue, Y. & Smedskjær, M. M., aug. 2022, I: Materials Today Communications. 32, 104160.

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  • Thermal Conductivity 100%
  • Oxide Glass 100%
  • Heat Conduction 100%
  • Glass 100%
  • Oxide 100%
  1 Citationer (Scopus)

  52 Downloads (Pure)
• 2021

  Revealing the Medium-Range Structure of Glassy Silica using Force-Enhanced Atomic Refinement

  Zhou, Q., Shi, Y., Deng, B., Du, T., Guo, L., Smedskjær, M. M. & Bauchy, M., 1 dec. 2021, I: Journal of Non-Crystalline Solids. 573, 11 s., 121138.

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  • Glass 100%
  • Silicon Dioxide 100%
  • Silicate Glass 50%
  • Medium-Range Order 50%
  • Atomic Structure 50%
  9 Citationer (Scopus)

  99 Downloads (Pure)
• 2020

  Metal–Organic Framework Glasses Possess Higher Thermal Conductivity than Their Crystalline Counterparts

  Sørensen, S. S., Østergaard, M. B., Stepniewska, M., Johra, H., Yue, Y. & Smedskjær, M. M., 22 apr. 2020, I: ACS Applied Materials and Interfaces. 12, 16, s. 18893-18903 11 s.

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  • Thermal Conductivity 100%
  • Glass 100%
  • Crystalline Material 100%
  • Free Volume 40%
  • Vitrification 20%
  41 Citationer (Scopus)

• Mixed Alkali Effect in Silicate Glass Structure: Viewpoint of ²⁹Si Nuclear Magnetic Resonance and Statistical Mechanics

  Bødker, M. S., Youngman, R. E., Mauro, J. C. & Smedskjær, M. M., 3 nov. 2020, I: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 124, 45, s. 10292-10299 8 s.

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  • Glass Structure 100%
  • Silicate Glass 100%
  • Mixed Alkali Effect 100%
  • Glass 100%
  • NMR Spectroscopy 100%
  9 Citationer (Scopus)

• New insights into the structure of sodium silicate glasses by force-enhanced atomic refinement

  Zhou, Q., Du, T., Guo, L., Smedskjær, M. M. & Bauchy, M., 15 maj 2020, I: Journal of Non-Crystalline Solids. 536, 10 s., 120006.

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  • Silicate Glass 100%
  • Atomic Structure 100%
  • Sodium 100%
  • Glass 60%
  • Molecular Dynamics 42%
  17 Citationer (Scopus)

• Predicting Cation Interactions in Alkali Aluminoborate Glasses using Statistical Mechanics

  Bødker, M. S., Christensen, R., Sørensen, L. G., Østergaard, M. B., Youngman, R. E., Mauro, J. C. & Smedskjær, M. M., 15 sep. 2020, I: Journal of Non-Crystalline Solids. 544, 8 s., 120099.

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  • Glass 100%
  • Al2O3 71%
  • Structure (Composition) 28%
  • Oxide Glass 14%
  • Aluminum 14%
  6 Citationer (Scopus)

• 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., Smedskjær, M. M., Huang, L., Affatigato, M., Feller, S. A. & Mauro, J. C., 2020, I: Journal of the American Ceramic Society. 103, 8, s. 4224-4233 10 s.

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  • Alkali 100%
  • Glass 100%
  • Germanate 100%
  • Young's Modulus 50%
  • Optical Property 25%
  14 Citationer (Scopus)

  59 Downloads (Pure)
• 2019

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

  Wang, M., Smedskjær, M. M., Mauro, J. C. & Bauchy, M., 28 jan. 2019, I: Journal of Chemical Physics. 150, 4, 8 s., 044502.

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  • Borosilicate Glass 100%
  • Dynamics 100%
  • Oxide Glass 50%
  • Atomic Structure 50%
  • Aluminosilicates 50%
  15 Citationer (Scopus)

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

  Bødker, M. S., Sørensen, S. S., Mauro, J. C. & Smedskjær, M. M., 26 jul. 2019, I: Frontiers in Materials. 6, 11 s., 175.

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  • Structure (Composition) 100%
  • Borosilicate Glass 100%
  • Glass 80%
  • Sodium 80%
  • Potassium 60%
  11 Citationer (Scopus)

  138 Downloads (Pure)

• 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. & Smedskjær, M. M., 7 feb. 2019, I: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 123, 5, s. 1206-1213 8 s.

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  • Glass Transition Temperature 100%
  • Glass 100%
  • Borate 100%
  • Lithium 37%
  • Boron 25%
  33 Citationer (Scopus)

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

  Kirchner, K. A., Bødker, M. S., Smedskjær, M. M., Kim, S. H. & Mauro, J. C., 12 aug. 2019, I: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 123, 35, s. 7640-7648 9 s.

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  • Glass 100%
  • Glass Composition 20%
  • Temperature 20%
  5 Citationer (Scopus)
• 2018

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

  Wang, M., Krishnan, N. M. A., Wang, B., Smedskjær, M. M., Mauro, J. C. & Bauchy, M., 15 okt. 2018, I: Journal of Non-Crystalline Solids. 498, s. 294-304 11 s.

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  • Borosilicate Glass 100%
  • Glass 50%
  • Borosilicate 25%
  • Structure (Composition) 25%
  • Boron 25%
  120 Citationer (Scopus)

• Predicting Q-Speciation in Binary Phosphate Glasses using Statistical Mechanics

  Bødker, M. S., Mauro, J. C., Goyal, S., Youngman, R. E. & Smedskjær, M. M., 2 aug. 2018, I: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 122, 30, s. 7609-7615 7 s.

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  • Tetrahedral Crystal 100%
  • Phosphate Glass 100%
  • Glass 100%
  • Glass Structure 50%
  • Dioxygen 50%
  16 Citationer (Scopus)