Publication Types:

Glass relaxation and hysteresis of the glass transition by molecular dynamics simulations

Papers
Z. Liu, Y. Hu, X. Li, W. Song, S. Goyal, M. Micoulaut, M. Bauchy
Phys. Rev. B. 98 (2018) 104205.
Publication year: 2018

Effects of Polydispersity and Disorder on the Mechanical Properties of Hydrated Silicate Gels

Papers
H. Liu, S. Dong, L. Tang, N.M.A. Krishnan, G. Sant, M. Bauchy
Journal of the Mechanics and Physics of Solids. 122 (2019) 555–565
Publication year: 2018

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

Papers
L. Tang, N.M.A. Krishnan, J. Berjikian, J. Rivera, M.M. Smedskjaer, J.C. Mauro, W. Zhou, M. Bauchy
Physical Review Materials. 2 (2018)
Publication year: 2018

Effect of irradiation on silicate aggregates’ density and stiffness

Papers
N.M.A. Krishnan, Y. Le Pape, G. Sant, M. Bauchy
Journal of Nuclear Materials. 512 (2018) 126–136
Publication year: 2018

Direct observation of pitting corrosion evolutions on carbon steel surfaces at the nano-to-micro- scales

Papers
P. Guo, E.C. La Plante, B. Wang, X. Chen, M. Balonis, M. Bauchy, G. Sant
Scientific Reports. 8 (2018)
Publication year: 2018

Deciphering the atomic genome of glasses by topological constraint theory and molecular dynamics: A reviewFrom telescope lenses to optical fibers and smartphone screens, glasses have been key enablers in human history. Unlike crystalline materials, glasses can virtually feature any composition and stoichiometry, which creates limitless opportunities to develop new glass formulations with unusual properties. However, this large compositional space renders traditional Edisonian trial-and-error discovery approaches poorly efficient. Accelerating the discovery of new glasses requires the genome of glass to be decoded, that is, to identify and decipher how the basic structural building blocks of glasses control their engineering properties—in the same way as the human genome offers information that serves as a blueprint for an individual’s growth and development. Here, we review some of our recent effort in that direction. Our approach combines molecular dynamics simulations with topological constraint theory—a simple, yet powerful framework that can be used to predict the compositional dependence of glass properties or pinpoint promising compositions with tailored functionalities. In this review, we report how we used this approach to understand the origin of glass-forming ability as a balance between atomic flexibility and internal stress, predict the mechanical properties of glasses, and tune the chemical reactivity of silicate glasses.From telescope lenses to optical fibers and smartphone screens, glasses have been key enablers in human history. Unlike crystalline materials, glasses can virtually feature any composition and stoichiometry, which creates limitless opportunities to develop new glass formulations with unusual properties. However, this large compositional space renders traditional Edisonian trial-and-error discovery approaches poorly efficient. Accelerating the discovery of new glasses requires the genome of glass to be decoded, that is, to identify and decipher how the basic structural building blocks of glasses control their engineering properties—in the same way as the human genome offers information that serves as a blueprint for an individual’s growth and development. Here, we review some of our recent effort in that direction. Our approach combines molecular dynamics simulations with topological constraint theory—a simple, yet powerful framework that can be used to predict the compositional dependence of glass properties or pinpoint promising compositions with tailored functionalities. In this review, we report how we used this approach to understand the origin of glass-forming ability as a balance between atomic flexibility and internal stress, predict the mechanical properties of glasses, and tune the chemical reactivity of silicate glasses.

Papers
M. Bauchy
Computational Materials Science. 159 (2019) 95–102
Publication year: 2018

Competitive effects of modifier charge and size on mechanical and chemical resistance of aluminoborate glasses

Papers
N. Mascaraque, K.F. Frederiksen, K. Januchta, R.E. Youngman, M. Bauchy, M.M. Smedskjaer
Journal of Non-Crystalline Solids. 499 (2018) 264–271.
Publication year: 2018

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

Papers
S. Kapoor, K. Januchta, R.E. Youngman, X. Guo, J.C. Mauro, M. Bauchy, S.J. Rzoska, M. Bockowski, L.R. Jensen, M.M. Smedskjaer
Physical Review Materials. 2 (2018)
Publication year: 2018

Anomalous variations in the viscous activation energy of suspensions induced by fractal structuring

Papers
J. Timmons, G. Falzone, M. Balonis, M. Bauchy, G. Sant
Journal of Colloid and Interface Science. (2018).
Publication year: 2018

Topological Origin of the Network Dilation Anomaly in Ion-Exchanged Glasses

Papers
M Wang, MM Smedskjaer, JC Mauro, G Sant, M Bauchy
Physical Review Applied 8 (5), 054040
Publication year: 2017