作为一种新型材料,碳纳米管增强聚合物复合材料在能源、淡水、航空航天等领域有着重要的应用前景,但其力学性能却远低于人们的预期。解思深院士等人提出了一种连续碳管网络增强复合材料的新概念,能充分发挥碳管潜能,有望彻底解决复合材料力学性能差的问题。如何优化设计碳管网络结构进而获得最优的复合材料宏观力学性能,仍需深入研究。本项目拟运用全原子、粗粒化多尺度模拟方法对该类新型复合材料的微观结构与宏观力学性能的相互关联开展系统深入的研究,包括连续碳管网络的微观结构、碳管网络与基体的相互作用、聚合物界面层等方面。力图揭示该类复合材料的微观结构与宏观力学性能之间的相互关系,为设计新型碳管复合材料提供理论指导。

As a new material, CNT enhanced polymer composite has its potential applications in the fields of energy, freshwater, aerospace industry etc. However, its mechanical properties cannot meet the requirement of these fields. Academician Xie et al. proposed a new concept of the composite enhanced by continuous CNT networks, in which the true potential of CNTs can be realized and the problem confronted would be tackled thoroughly. How to design and optimize the structure of CNT networks to get an optimal macroscopic mechanical properties of composite is still an open question and further investigations are needed. In this project, we plan to investigate the relationship between the complex microstructure and macroscopic mechanical properties of this new composte, including the continuous CNT networks, its interaction with the polymer matrix and the interfacial layer etc. The aim of this project is to unveil the relationship between the microstructure and the macroscopic mechanical properties of the composite, and to provide a theoretical guidance for the design of the new CNT based composite.