摘要
运用基于Reax FF力场势的分子动力学方法模拟了双层以及三层石墨与高超声速氧分子流的冲击作用过程。石墨在高超声速氧分子流的持续冲击作用下,氧原子与表层石墨原子结合;可以观察到部分结合了氧原子的碳原子以CO2的形式从表层石墨脱离的现象,石墨出现缺陷,逐渐破坏。另外发现三层石墨的情况下表层石墨温度上升速度较慢。
The interaction processes of the double-layered and triple-layered graphite with hypersonic oxygen flow were studied using molecular dynamics method based on ReaxFF potential. The surface layer of graphite was combined with oxygen atoms under the continuing impact of the hypersonic oxygen flow. Some of the combined oxygen atoms and carbon atoms dissociated from the graphite in the form of CO2. In addition, it showed that the temperature of the surface layer rose slowly in the condition of the triple-layered graphite case.
出处
《广州化工》
CAS
2015年第11期3-6,15,共5页
GuangZhou Chemical Industry
基金
全国优秀博士学位论文作者专项基金(No:201028)
