Скачать или смотреть Glass transition temperatures of thermoset polymers with ReaxFF | Amsterdam Modeling Suite

In this ReaxFF tutorial, the calculation of glass transition temperatures, Tg, from the temperature dependence of the polymer’s density is explained.
See https://www.scm.com/doc/Tutorials/Mol...
for a step-by-step online tutorial with the polymer structure from the video and the analysis script.

A YouTube playlist with more step-by-step polymer simulations can be found on our YouTube channel:    • Realistic polymer structures with ReaxFF a...  

The systems and workflows presented here are originally described in the publication Effect of chemical structure on thermo-mechanical properties of epoxy polymers: Comparison of accelerated ReaxFF simulations and experiments, Polymer 159, 354-368 (2018).

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