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New interaction potentials for alkali and alkaline-earth aluminosilicate glasses
Siddharth Sundararaman, Liping Huang, Simona Ispas +1
We apply a recently developed optimization scheme to obtain effective potentials for alkali and alkaline-earth aluminosilicate glasses that contains lithium, sodium, potassium, or…
Stretched and compressed exponentials in the relaxation dynamics of a metallic glass-forming melt
Zhen Wei Wu, Walter Kob, Wei-Hua Wang +1
The relaxation dynamics of glass-forming systems shows a multitude of features that are absent in normal liquids, such as non-exponential relaxation and a strong temperature-depend…
Structural and Topological Nature of Plasticity in Sheared Granular Materials
Yixin Cao, Jindong Li, Binquan Kou +9
Upon mechanical loading, granular materials yield and undergo plastic deformation. The nature of plastic deformation is essential for the development of the macroscopic constitutiv…
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…
Structure and dynamics of a polymer-nanoparticle composite: Effect of nanoparticle size and volume fraction
Valerio Sorichetti, Virginie Hugouvieux, Walter Kob
We use molecular dynamics simulations to study a semidilute, unentangled polymer solution containing well dispersed, weakly attractive nanoparticles (NP) of size () smaller th…
Dynamic and thermodynamic crossover scenarios in the Kob-Andersen mixture: Insights from multi-CPU and multi-GPU simulations
Daniele Coslovich, Misaki Ozawa, Walter Kob
The physical behavior of glass-forming liquids presents complex features of both dynamic and thermodynamic nature. Some studies indicate the presence of thermodynamic anomalies and…