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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 molecular dynamics simulation based on Reax FF force field was used to simulate the impact of double-layer and triple-layer graphite and hypersonic oxygen molecular flow. Under the continuous impact of high supersonic oxygen molecular flow, the oxygen atoms combine with the surface graphite atoms. It is observed that part of the carbon atoms with oxygen atoms are detached from the surface graphite in the form of CO2, and the graphite is defective and gradually destroyed. In addition, it was found that the surface graphite temperature increased slowly in the case of three-layer graphite.