Title: Using Molecular Simulation with High-temperature Composites Resins

Authors: Mohammad Atif Faiz Afzal, Jeffrey Sanders, Alexander Goldberg, Andrea R. Browning, and Mathew D. Halls

DOI: 10.33599/nasampe/s.19.1559

Abstract: 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.

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Conference: SAMPE 2019 - Charlotte, NC

Publication Date: 2019/05/20

SKU: TP19--1559

Pages: 9

Price: FREE