126 citations · 962 across the 25 of their papers we have counts for
25 papers
Percolation Criticality of Amorphous-Amorphous Transitions in Compressed Glasses
Julien Perradin, Simona Ispas, Ricardo V. Paredes +2
The low-to-high-density transition in compressed silica glass is investigated using percolation theory. Large-scale molecular dynamics simulations of SiO glasses, with system s…
Nexus-CAT: A Computational Framework to Define Long-Range Structural Descriptors in Glassy Materials from Percolation Theory
Julien Perradin, Simona Ispas, Anwar Hasmy +1
Nexus-CAT (Cluster Analysis Toolkit) is an open-source Python package for cluster detection and percolation analysis of atomistic simulation trajectories. Standard structural tools…
Surface properties of alkali silicate glasses: Influence of the modifiers
Zhen Zhang, Simona Ispas, Walter Kob
Using large-scale molecular dynamics simulations, we investigate the surface properties of lithium, sodium, and potassium silicate glasses containing 25 mole % of alkali oxide. The…
Fracture of silicate glasses: Micro-cavities and correlations between atomic-level properties
Zhen Zhang, Simona Ispas, Walter Kob
We use large-scale simulations to investigate the dynamic fracture of silica and sodium-silicate glasses under uniaxial tension. The stress-strain curves demonstrate that silica gl…
Origin of the non-linear elastic behavior of silicate glasses
Zhen Zhang, Simona Ispas, Walter Kob
For small tension the response of a solid to an applied stress is given by Hooke's law. Outside this linear regime the relation between stress and strain is no longer universal and…
New interaction potentials for alkaline earth silicate and borate glasses
Yueh-Ting Shih, Siddharth Sundararaman, Simona Ispas +1
Structure and properties of magnesium silicate and borate melts and glasses were investigated by using newly parameterized interaction potentials in molecular dynamics simulations…