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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February 7th, 2014

Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates

Abdolhosseini Qomi, Mohammad, Mathieu Bauchy, Franz-Josef Ulm, and Roland Pellenq. 2014. "Anomalous composition-dependent dynamics of nanoconfined water in the interlayer [...]
January 16th, 2014

A day made of glass

December 23rd, 2013

Percolative heterogeneous topological constraints and fragility in glass-forming liquids

Bauchy, M. and M. Micoulaut. 2013. "Percolative heterogeneous topological constraints and fragility in glass-forming liquids." EPL (Europhysics Letters), 104 (5): [...]
December 21st, 2013

Applying Tools from Glass Science to Study Calcium-Silicate-Hydrates

Qomi, MJ, M. Bauchy, R. Pellenq, and F. Ulm. 2013. "Applying Tools from Glass Science to Study Calcium-Silicate-Hydrates." ASCE Publications, [...]
October 23rd, 2013

Contraintes topologiques et rigidité dans les verres

October 23rd, 2013

Structure and dynamics of liquid AsSe4 from ab initio molecular dynamics simulation

Bauchy, M.. 2013. "Structure and dynamics of liquid AsSe4 from ab initio molecular dynamics simulation." Journal of Non-Crystalline Solids, North-Holland, [...]
October 23rd, 2013

Structure of As2Se3 and AsSe network glasses: Evidence for coordination defects and homopolar bonding

Bauchy, M. and M. Micoulaut. 2013. "Structure of As 2 Se 3 and As Se network glasses: Evidence for coordination [...]
August 23rd, 2013

Structure, topology, rings, and vibrational and electronic properties of GexSe1-x glasses across the rigidity transition: A numerical study

Micoulaut, M., A. Kachmar, M. Bauchy, S. Le Roux, C. Massobrio, and M. Boero. 2013. "Structure, topology, rings, and vibrational [...]
April 23rd, 2013

Compositional Thresholds and Anomalies in Connection with Stiffness Transitions in Network Glasses

Bauchy, M., M. Micoulaut, M. Boero, and C. Massobrio. 2013. "Compositional thresholds and anomalies in connection with stiffness transitions in [...]
February 23rd, 2013

Anomalies of the first sharp diffraction peak in network glasses: Evidence for correlations with dynamic and rigidity properties

Micoulaut, Matthieu and Mathieu Bauchy. 2013. "Anomalies of the first sharp diffraction peak in network glasses: Evidence for correlations with [...]