Title: Computational Modeling of Polymer and Carbon Fiber Composite Interfaces

Authors: Mohammad Atif Faiz Afzal, Andrea R. Browning, Jeffrey Sanders, Thomas J. Mustard, and Mathew D. Halls

DOI: 10.33599/nasampe/c.19.0786

Abstract: Carbon fiber composites are attractive materials in numerous applications, especially in the aerospace and automotive industries, due to their enhanced properties. More specifically, reinforcing polymeric materials with carbon fiber results in the increase of mechanical properties such as high elastic modulus. The interface between polymers and carbon fibers is a major part of the overall system and may play a role in the overall behavior. Studying the interactions between the graphite layers and polymers at the atomic scale will allow us to uncover insights that are not feasible via empirical observation. We have developed efficient molecular modeling methodologies to study these interactions and to evaluate the mechanical properties to quantify the enhancement in properties. We give examples using both thermoset and thermoplastic polymers. In the case of thermoset polymers, we provide details on the building the system and in-situ cross-linking. Additionally, we compare the interactions when the graphite sheets are aligned parallel and perpendicular to the polymer interface. The impact of the graphite layers on the crosslinking of thermosets is also discussed. In addition to the interface interactions, we study the stress-strain behavior of these composites and evaluate their modulus and yield point. Furthermore, we compare the location of void formation during the straining of the composite.

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Conference: CAMX 2019

Publication Date: 2019/09/23

SKU: TP19-0786

Pages: 11

Price: $22.00