Understanding the effect of functionalization on mechanical properties of carbon nitride reinforced epoxy composites from molecular level-Reference-Cited by-同舟云学术

Understanding the effect of functionalization on mechanical properties of carbon nitride reinforced epoxy composites from molecular level

Published:2023-08-08 Issue: Volume:63 Page:146-152
ISSN:2791-0210
Container-title:Highlights in Science, Engineering and Technology
language:
Short-container-title:HSET

Author:

Ding Qiuyue,Ding Ning,Guo Wenyue

Abstract

In this work, molecular dynamics (MD) simulations were performed to explore the effects of hydroxyl functionalization on the mechanical properties of carbon nitride (C3N) reinforced epoxy composites. Pristine C3N and hydroxy-functionalized carbon nitride (C3N-OH) reinforced epoxy composites were constructed. Results show that the existence of hydroxyl can significantly improve the tensile and compressive mechanical properties of epoxy/C3N composites. The tensile yield strength of C3N-OH reinforced epoxy composite enhanced about 81% compared with that of pristine C3N reinforced epoxy composite. The root mean square displacement (MSD), interaction energy and free volume distribution of the two models were calculated to understand the reinforcing mechanism. This work promotes the application of two-dimensional C3N in enhancing the mechanical properties of epoxy.

Publisher

Darcy & Roy Press Co. Ltd.

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