Wang Bo, Zhang Ke, Zhou Caihua, Ren Mingfa, Gu Yuantong, Li Tong
Department of Engineering Mechanics, State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology Dalian 116024 China
School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology Brisbane 4000 QLD Australia
RSC Adv. 2019 Apr 25;9(23):12836-12845. doi: 10.1039/c9ra01212e.
Poly-ether-ether-ketone (PEEK) was deeply investigated as a composite matrix because of its outstanding mechanical properties and thermostability. However, the performance improvement of fiber-reinforced PEEK composites was moderate according to a great number of experimental investigations. An insightful understanding of the deformation and interfacial failure in the PEEK composite is needed to guide the future fabrication of high-performance PEEK plastics. In this paper, Molecular Dynamics (MD) simulation was employed to evaluate the mechanical properties of carbon nanotube (CNT) reinforced PEEK nanocomposites. It was found that the weak interface between CNTs and the PEEK matrix leads to the flaws in the CNT/PEEK nanocomposite. A CNT-functionalization strategy was used to introduce H-bonds between CNTs and the PEEK matrix, improving the overall mechanical performance of the CNT/PEEK nanocomposite. Numerical examples validate that the addition of amino groups on CNTs can significantly improve the interfacial failure shear stress and elastic modulus of the CNT/PEEK nanocomposites. This mechanism study provides evidence and a theoretical basis to improve the mechanical performance of fiber-reinforced PEEK for lightweight structures in advanced equipment.
聚醚醚酮（PEEK）因其出色的机械性能和热稳定性而被深入研究作为一种复合基体。然而，根据大量实验研究，纤维增强PEEK复合材料的性能提升较为有限。为了指导未来高性能PEEK塑料的制造，需要对PEEK复合材料中的变形和界面失效有深入的理解。在本文中，采用分子动力学（MD）模拟来评估碳纳米管（CNT）增强PEEK纳米复合材料的机械性能。研究发现，CNT与PEEK基体之间的弱界面导致了CNT/PEEK纳米复合材料中的缺陷。采用CNT功能化策略在CNT与PEEK基体之间引入氢键，提高了CNT/PEEK纳米复合材料的整体机械性能。数值示例验证了在CNT上添加氨基可以显著提高CNT/PEEK纳米复合材料的界面失效剪切应力和弹性模量。该机理研究为提高先进设备中轻质结构的纤维增强PEEK的机械性能提供了证据和理论基础。
