100 citations · 343 across the 6 of their papers we have counts for
4 papers · 1 filter
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…
Prediction of Glass Elasticity from Free Energy Density of Topological Constraints
Collin J. Wilkinson, Qiuju Zheng, Liping Huang +1
Despite the critical importance of the elastic properties of modern materials, there is not a singular model that can predict the modulus to an accuracy needed for industrial glass…
New optimization scheme to obtain interaction potentials for oxide glasses
Siddharth Sundararaman, Liping Huang, Simona Ispas +1
We propose a new scheme to parameterize effective potentials that can be used to simulate atomic systems such as oxide glasses. As input data for the optimization, we use the radia…
Transformation Pathways of Silica under High Pressure
Liping Huang, Murat Durandurdu, John Kieffer
Concurrent molecular dynamics simulations and ab initio calculations show that densification of silica under pressure follows a ubiquitous two-stage mechanism. First, anions form a…