材料科学
石墨
雷亚克夫
微晶
碳化
制作
微观结构
纳米技术
电场
复合材料
原位
模数
纤维
分子动力学
碳纤维
航空航天
化学
结晶学
航空航天工程
计算化学
医学
有机化学
量子力学
病理
替代医学
工程类
原子间势
物理
复合数
扫描电子显微镜
作者
Shichao Sun,Zheng Wang,Chen Su,Feifei Pan,Weiyu Cao
标识
DOI:10.1021/acssuschemeng.2c04559
摘要
Carbon fibers (CFs) have long been of great interest as a crucial material for the aerospace industry. Their practical application requires higher performance and efficient fabrication. This study presents an in situ electrothermal approach for graphitizing CFs. During the electrothermal process, an electric field manipulates the growth of graphite microcrystalline structures, yielding single, regular, large graphite microcrystals, thereby inducing their alignment. The in situ electrothermal approach increased the strength of the resulting CFs by 50.3% and enhanced their Young's moduli by 9.2% compared with conventional approaches. Moreover, the use of a molecular dynamics (MD)–Reaxff force field and density functional theory calculations in conjunction with the characterization tools revealed the positive effect of the electric field on microcrystalline growth, which explains the peculiar microstructures and enhanced mechanical properties of CFs prepared using the electrothermal approach. Accordingly, this approach is expected to be a better alternative to the current graphitization and carbonization process in the future.
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