Effect of nitrogen-doped type on fracture toughness improvement and crack growth resistance of carbon nanotube/epoxy nanocomposites: Combined multiscale analysis approach
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引用次数: 0
Abstract
Recently, nitrogen-doped carbon nanotubes (N-doped CNTs) have received great attention in nanocomposite design. It has become highly necessary to develop predictive models to elucidate their toughning behavior. In this study, the effects of CNTs with three different types of N-doped functional groups (quaternary, pyrrolic, and pyridinic) on the fracture toughness (FT) and crack growth of polymer nanocomposites are predicted using a multiscale analysis approach. To scale up from the nanoscale to the macroscale, a multiscale analysis approach integrating molecular dynamics, micromechanics theory, linear fracture mechanics theory, and a phase-field fracture model (PFFM) is adopted. The toughness enhancement trends of the three different types of N-doped functional groups were quantified by considering four toughening mechanisms (CNT debonding, plastic nanovoid growth, CNT pull-out, and CNT rupture), and compared with experimental result. The results show that the excellent interphase and interfacial properties of quaternary and pyridinic functional groups significantly improve the FT and crack growth resistance of N-doped CNT/epoxy nanocomposites. Our study provides high-performance solutions for experimental studies pertaining to the FT and crack growth of N-doped CNT/epoxy nanocomposites.
最近,掺氮碳纳米管(N-doped CNTs)在纳米复合材料设计中受到极大关注。开发预测模型以阐明其韧性行为已变得十分必要。在本研究中,采用多尺度分析方法预测了三种不同类型的掺 N 官能团(季铵型、吡咯型和吡啶型)的 CNT 对聚合物纳米复合材料的断裂韧性(FT)和裂纹生长的影响。为了从纳米尺度扩展到宏观尺度,采用了一种综合了分子动力学、微观力学理论、线性断裂力学理论和相场断裂模型(PFFM)的多尺度分析方法。通过考虑四种增韧机制(CNT 脱粘、塑性纳米形体生长、CNT 拔出和 CNT 断裂),量化了三种不同类型的 N 掺杂官能团的韧性增强趋势,并与实验结果进行了比较。结果表明,季铵盐官能团和吡啶官能团具有优异的相间和界面性能,可显著提高掺杂 N 的 CNT/环氧纳米复合材料的 FT 和抗裂纹生长性能。我们的研究为掺杂 N 的 CNT/epoxy 纳米复合材料的耐挠曲和抗裂纹生长实验研究提供了高性能解决方案。
期刊介绍:
EFM covers a broad range of topics in fracture mechanics to be of interest and use to both researchers and practitioners. Contributions are welcome which address the fracture behavior of conventional engineering material systems as well as newly emerging material systems. Contributions on developments in the areas of mechanics and materials science strongly related to fracture mechanics are also welcome. Papers on fatigue are welcome if they treat the fatigue process using the methods of fracture mechanics.