广州化工
廣州化工
엄주화공
GUANGZHOU CHEMICAL INDUSTRY AND TECHNOLOGY
2015年
11期
3-6,15
,共5页
高超声速%冲击%分子动力学%ReaxFF 势%石墨
高超聲速%遲擊%分子動力學%ReaxFF 勢%石墨
고초성속%충격%분자동역학%ReaxFF 세%석묵
hypersonic%collision%molecular dynamics%ReaxFF potential%graphite
运用基于 ReaxFF 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。
運用基于 ReaxFF 力場勢的分子動力學方法模擬瞭雙層以及三層石墨與高超聲速氧分子流的遲擊作用過程。石墨在高超聲速氧分子流的持續遲擊作用下，氧原子與錶層石墨原子結閤；可以觀察到部分結閤瞭氧原子的碳原子以 CO2的形式從錶層石墨脫離的現象，石墨齣現缺陷，逐漸破壞。另外髮現三層石墨的情況下錶層石墨溫度上升速度較慢。
운용기우 ReaxFF 력장세적분자동역학방법모의료쌍층이급삼층석묵여고초성속양분자류적충격작용과정。석묵재고초성속양분자류적지속충격작용하，양원자여표층석묵원자결합；가이관찰도부분결합료양원자적탄원자이 CO2적형식종표층석묵탈리적현상，석묵출현결함，축점파배。령외발현삼층석묵적정황하표층석묵온도상승속도교만。
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.
