A physics-constrained machine-learning sub-grid-scale modeling approach for turbulent premixed flames

Abstract: A physics-embedded training framework is used to close the sub-grid-scale dynamics of turbulent premixed flames. The trained model augments the resolved flow equations and is trained to match its predicted flow field to trusted data. An end-to-end optimization of the coupled resolved equations and embedded model leads to a model that is robust and effective for a freely propagating premixed flame in turbulence, modeled by a single-species, single-step, and irreversible chemical reaction. Important constraints are built into the training formulation for conservation, scalar boundedness, and equivariance. The model is scaled based on the residual of the resolved flow equations to focus its influence where the closure is needed. It outperforms other cases considered --- no-model, dynamic closure, and the same machine learning model trained directly to fit the residual data --- for a long-time simulation, correcting the turbulence dissipation and flame kinematics. Finally, it is shown how the prediction-based training better informs the model than the precise residual data.