• 文献标题:   Atomistic-scale investigations of hyperthermal oxygen-graphene interactions via reactive molecular dynamics simulation: The gas effect
  • 文献类型:   Article
  • 作  者:   CUI ZL, YAO GC, ZHAO J, ZHANG J, WEN DS
  • 作者关键词:  
  • 出版物名称:   PHYSICS OF FLUIDS
  • ISSN:   1070-6631 EI 1089-7666
  • 通讯作者地址:  
  • 被引频次:   6
  • DOI:   10.1063/5.0052528
  • 出版年:   2021

▎ 摘  要

Hyperthermal atomic oxygen (AO) bombardment to thermal protection system surface has been identified to impact the aerodynamic heating significantly, due to complex chemical reactions at the gas-solid interface, e.g., surface catalysis recombination, oxidation, and ablation. Previous investigations have focused on the surface effects of the AO collision process, while the influence of impacting gas characteristics remains unclear under various non-equilibrium aerodynamic conditions. This work conducts a reactive molecular dynamics (RMD) study of AO collisions over graphene surface, by considering the incoming gas at different translational energies (0.1