List

Atomic configurations of glassy silica (SiO2) and Jade Glass generated by molecular dynamics (MD) and force-enhanced atomic refinement (FEAR). The configurations have the LAMMPS Data format. Computed neutron structure factors and ring size distribution (using the Guttman definition) are also provided.

Access to the data: SilicaJade

  Posts

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November 6th, 2015

Stretched Exponential Relaxation of Glasses at Low Temperature

Yu, Y., M. Wang, D. Zhang, G. Sant, and M. Bauchy. 2015. "Stretched Exponential Relaxation of Glasses at Low Temperature." [...]
November 6th, 2015

Unique effects of thermal and pressure histories on glass hardness: Structural and topological origin

Smedskjaer, M., M. Bauchy, J. Mauro, S. Rzoska, and M. Bockowski. 2015. "Unique effects of thermal and pressure histories on [...]
November 6th, 2015

Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate

Huang, J., B. Wang, Y. Yu, L. Valenzano, M. Bauchy, and G. Sant. 2015. "Electronic Origin of Doping-Induced Enhancements of [...]
October 10th, 2015

Sub-critical crack growth in silicate glasses: Role of network topology

Smedskjaer, Morten and Mathieu Bauchy. 2015. "Sub-critical crack growth in silicate glasses: Role of network topology." Applied Physics Letters, 107 [...]
October 10th, 2015

Polymorphism and Its Implications on Structure-Property Correlation in Calcium-Silicate-Hydrates

Oey, Tandré, Cynthia Huang, Ryan Worley, Sarah Ho, Jason Timmons, Ka Lam Chaung, Aditya Kumar, Mathieu Bauchy, and Gaurav Sant. [...]
October 10th, 2015

Kinetic simulations of cement creep: mechanisms from shear deformations of glasses

Masoero, E, M Bauchy, E Del Gado, H Manzano, R Pellenq, F Ulm, and S Yip. 2015. "Kinetic simulations of [...]
October 10th, 2015

Creep of Bulk C-S-H: Insights from Molecular Dynamics Simulations

Bauchy, M, E Masoero, F Ulm, and R Pellenq. 2015. "Creep of Bulk C-S-H: Insights from Molecular Dynamics Simulations." Paper [...]
October 10th, 2015

C-S-H across Length Scales: From Nano to Micron

Qomi, MJA, E Masoero, M Bauchy, F Ulm, E Del Gado, and R Pellenq. 2015. "C-S-H across Length Scales: From [...]
October 10th, 2015

Nature of radiation-induced defects in quartz

Wang, Bu, Yingtian Yu, Isabella Pignatelli, Gaurav Sant, and Mathieu Bauchy. 2015. "Nature of radiation-induced defects in quartz." The Journal [...]
October 10th, 2015

The Direct Carbonation of Ca (OH) 2 using Liquid and Supercritical CO2: Implications on Carbon-Neutral Cementation

Vance, Kirk, Gabriel Falzone, Isabella Pignatelli, Mathieu Bauchy, Magdalena Balonis, and Gaurav Sant. 2015. "The Direct Carbonation of Ca (OH) [...]