September 10, 2025Physics of Fluids

Chemical energy accommodation of atomic oxygen recombination on silica surfaces under high-temperature nonequilibrium flow environments: Insights from atomistic-scale simulations

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Chemical energy accommodation coefficients vary significantly with reaction type and internal energy mode, enhancing predictive models.
Key elementary reactions and energy barriers for atomic oxygen recombination on silica are determined via density functional theory (DFT).
Reactive molecular dynamics calculations provide detailed distributions of energy for recombined oxygen molecules, supporting aerothermal heating insights.
The study highlights the importance of understanding gas-surface interactions to improve aerothermal heating predictions for hypersonic vehicles.

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Implication

Atomistic simulations reveal chemical energy accommodation in atomic oxygen reactions on silica, impacting aerothermal heating in hypersonic vehicles.

Cite This Study

Ye et al. (2025) studied this question.

synapsesocial.com/papers/68c241efb210217d647a1124 https://doi.org/10.1063/5.0276703

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Implication

Atomistic simulations reveal chemical energy accommodation in atomic oxygen reactions on silica, impacting aerothermal heating in hypersonic vehicles.

Chemical energy accommodation of atomic oxygen recombination on silica surfaces under high-temperature nonequilibrium flow environments: Insights from atomistic-scale simulations

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Discussion

Implication

Cite This Study

Chemical energy accommodation of atomic oxygen recombination on silica surfaces under high-temperature nonequilibrium flow environments: Insights from atomistic-scale simulations

Key Points

Discussion

Implication

Cite This Study

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