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paperarXivTrust 82 · PrimaryPublished 6d agoLive · 3d ago

Entropy-Constrained Machine Learning with Residual Data Augmentation for Modeling Chemical Kinetics

We present a physics-constrained machine learning framework for accelerating the direct numerical simulation (DNS) of turbulent reacting flows. The model replaces the direct evaluation of detailed chemical source terms with a surrogate that predicts reaction rates from a reduced thermochemical state. To improve physical consistency, the second law of thermodynamics is incorporated as a training constraint by enforcing non-negative entropy generation, which restricts the evolution of the thermochemical state to physically admissible directions and improves stability during time integration. The

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