Air-Carbon Ablation Model for Hypersonic Flight from Molecular Beam Data

Direct Dynamics Simulations of Hyperthermal O(3P) Collisions with Pristine, Defected, Oxygenated, and Nitridated Graphene Surfaces

“…Nevertheless, fundamental studies of the reaction dynamics under the experimental conditions can provide valuable data for ablation model development. 10 It is noteworthy that the oxygen−carbon reaction dynamics and their dependence on surface temperature were remarkably similar in experiments with 120 and 8.1 kcal mol −1 O atoms, which is primarily because the important reactions occur in thermal equilibrium with the surface regardless of the incident energy. The experiment with the lower energy, continuous beam of O atoms was able to discern the surface-induced O−O recombination reaction to produce O 2 ; this exothermic process may be an important source of heat flux for a TPS surface.…”

“…The O-atom incident energy of this experiment was similar to that for O-atom–surface interactions in a real hypersonic boundary layer, but the O-atom flux in this experiment was still several orders of magnitude lower than the O-atom flux on a TPS surface during hypersonic flight. Nevertheless, fundamental studies of the reaction dynamics under the experimental conditions can provide valuable data for ablation model development . It is noteworthy that the oxygen–carbon reaction dynamics and their dependence on surface temperature were remarkably similar in experiments with 120 and 8.1 kcal mol –1 O atoms, which is primarily because the important reactions occur in thermal equilibrium with the surface regardless of the incident energy.…”

“…Thus the heat flux to such a TPS surface and its response to high-temperature gas–surface reactions are the net result of the complicated coupling of gas–surface and gas–phase processes at the interface of the TPS surface and the boundary layer. A molecular-level understanding of the underlying chemical processes under such extreme conditions is essential for predictive models − to address the challenges posed to reentry and other hypersonic vehicles.…”

Effect of N Atoms on O-Atom Reactivity with Carbon

“…Thus, a great deal of effort was spent to understand the oxidation of carbon in our laboratory while the corresponding author was at Montana State University [1][2][3]. The data from this effort have been used in the formulation of oxygen-carbon ablation models [4][5][6][7]. However, the development of an air-carbon ablation model requires an understanding of the effects of N atoms and their reactions on the reactivity of O atoms with carbon.…”

Atomistic-scale investigations of hyperthermal oxygen–graphene interactions via reactive molecular dynamics simulation: The gas effect

“…Therefore, gas-surface collision dynamics under severe conditions have been investigated for a variety of surfaces both theoretically and experimentally [12][13][14][15][16][17]. Molecular beam experiments were performed where certain gas was induced and collided with various neat metallics, nonmetallic, polymers and composites under different experimental conditions [18][19][20]. However considering the multiple influential factors, a clear understanding of the AO impact effects leading to the disintegration is still experimentally challenging [21][22][23].…”