Direct Simulation Monte Carlo Application of the Three Dimensional Forced Harmonic Oscillator Model
Journal Article - Open Access
Air Force Research Laboratory (AFMC) AFRL/RQRC Edwards AFB United States
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An implementation of the three-dimensional forced harmonic oscillator model of vibration translation energy transfer in atom-diatom and diatom-diatom collisions is proposed. The implementation employs precalculated lookup tables for transition probabilities and is suitable for the direct simulation Monte Carlo method. It takes into account the microscopic reversibility between the excitation and deexcitation processes, and it satisfies the detailed balance requirement at equilibrium. The implementation is verified for oxygen and nitrogen thermal heat baths and validated for aftershock relaxation of oxygen in argon. Comparison with the one-dimensional forced harmonic oscillator model shows large differences in macroparameters for high-temperature bath relaxation and moderate-to-large differences in realistic oxygen shock conditions.
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