Using Molecular Simulation with High-temperature Composites Resins #TP19--1559

Thu. May 23| 10:00 AM - 10:25 AM | 202B

Polyimides, benzoxazines, and other high-temperature composites matrix materials provide unique properties that are necessary for use of composites in certain environments. The ability to predict properties for high-temperature matrix polymers as well as understanding the underlying relationship between the molecular structure and properties can help us drive the innovation of new matrix materials. As has been shown with epoxy-amine thermosets, atomistic simulations combined with efficient workflows and GPU enabled molecular dynamics calculations can allow us to calculate critical properties such as glass transition temperatures and mechanical properties. In this paper, we demonstrate efficient techniques for the modeling of diverse polymer systems including thermoplastics and thermosets and give examples of calculated properties.  

Type: Simulation and Computational Modeling (ICME) - Property Predictions

Track: Simulation and Computational Modeling (ICME)


Afzal, Mohammad

Afzal, Mohammad

Research Scientist

Schrödinger, Inc.