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New interaction potentials for borate glasses with mixed network formers
Siddharth Sundararaman, Liping Huang, Simona Ispas +1
We adapt and apply a recently developed optimization scheme used to obtain effective potentials for aluminosilicate glasses to include the network former boron into the interaction…
The critical role of the interaction potential and simulation protocol for the structural and mechanical properties of sodosilicate glasses
Zhen Zhang, Simona Ispas, Walter Kob
We compare the ability of various interaction potentials to predict the structural and mechanical properties of silica and sodium silicate glasses. While most structural quantities…
Characterizing the mesh size of polymer solutions via the pore size distribution
Valerio Sorichetti, Virginie Hugouvieux, Walter Kob
In order to characterize the geometrical mesh size , we simulate a solution of coarse-grained polymers with densities ranging from the dilute to the concentrated regime and for…
Addition to Structure and dynamics of a polymer-nanoparticle composite: Effect of nanoparticle size and volume fraction
Valerio Sorichetti, Virginie Hugouvieux, Walter Kob
In our previous publication (Ref. 1) we have shown that the data for the normalized diffusion coefficient of the polymers, , falls on a master curve when plotted as a f…
Basis Glass States: New Insights from the Potential Energy Landscape
Prabhat K. Gupta, Walter Kob
Using the potential energy landscape formalism we show that, in the temperature range in which the dynamics of a glass forming system is thermally activated, there exists a unique…
On the Structure of Liquids: More order than expected
Zhen Zhang, Walter Kob
Disordered systems like liquids, gels, glasses, or granular materials are not only ubiquitous in daily life and in industrial applications but they are also crucial for the mechani…