炭纤维/氨基化多壁碳纳米管/环氧树脂复合材料力学性能的分子模拟

Molecular modeling of the mechanical behavior of carbon fiber-amine functionalized multiwall carbon nanotube/epoxy composites

摘要: 采用分子动力学模拟(MD)分析炭纤维/氨基化多壁碳纳米管/环氧树脂复合材料的力学性能。采用碳纳米管作为环氧树脂的主要增强材料以期提高三相复合材料的力学性能。建立固化的环氧树脂模型以提高碳纳米管和基体间的粘结强度。炭纤维体积分数设定为60%，碳纳米管体积分数为0.25%-5%。结果表明，碳纳米管体积分数从0.25%增加至5%时，沿炭纤维方向上的杨氏模量由92GPa提高至224.4GPa，抗张强度由1.35GPa提高至2.85GPa。

Abstract: This paper presents a molecular dynamics (MD) analysis to parametrically describe the mechanical behavior of carbon fiber-amine functionalized multiwall carbon nanotube (A-MWCNT)/epoxy composites. The functionalized CNTs are first embedded in epoxy and cured to increase the micromechanical interlocking between CNTs and matrix. Carbon fibers were later used as fillers to increase the overall mechanical properties of the three-component composites. Within the model, the carbon fiber volume fraction was fixed at 60% and the CNT volume fraction was changed from 0.25 to 5%. Results show that the Young’s modulus and tensile strength along the carbon fiber direction increased from 92 to 224.4GPa and from 1.35 to 2.85GPa, respectively, with increasing the CNT volume fraction from 0.25 to 5%.