In this study, nitrogen doped carbon nanotube reinforced epoxy nanocomposites were characterized through experiments and molecular dynamics (MD) simulation. Carbon nanotubes were functionalized by nitrogen inductively coupled plasma. They were made into a nanocomposite by a solvent-free mixing method. The various characteristics of nanocomposites, including nitrogen doped carbon nanotubes were analyzed by the following experiments: a Raman spectra, an X-ray photoelectron spectroscopy (XPS), quasi-static tensile tests, a scanning electron microscopy (SEM), and a transmission electron microscopy (TEM). In addition, an MD simulation was performed to predict the mechanical properties of nanocomposites and the results were compared to the test measurements. It showed that the effective dispersion of nitrogen doped carbon nanotubes was important to improve the mechanical characteristics of the nanocomposites.

在这项研究中，通过实验和分子动力学（MD）模拟来表征氮掺杂的碳纳米管增强的环氧纳米复合材料。碳纳米管通过氮感应耦合等离子体功能化。通过无溶剂混合法将它们制成纳米复合材料。通过以下实验分析了包括氮掺杂碳纳米管在内的纳米复合材料的各种特性：拉曼光谱，X射线光电子能谱（XPS），准静态拉伸试验，扫描电子显微镜（SEM）和透射电子显微镜（TEM）。此外，进行了MD模拟以预测纳米复合材料的机械性能，并将结果与​​测试结果进行了比较。