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A Machine Learning-Genetic Algorithm (ML-GA) approach was developed to virtually discover optimum designs using training data generated from multi-dimensional simulations. Machine learning (ML) presents a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. In the present work, a total of over 2000 sector-mesh computational fluid dynamics (CFD) simulations of a heavy-duty engine were performed. These were run concurrently on a supercomputer to reduce overall turnaround time. The engine being optimized was run on a low-octane (RON70) gasoline fuel under partially premixed compression ignition (PPCI) mode. A total of nine input parameters were varied, and the CFD simulation cases were generated by randomly sampling points from this nine-dimensional input space. These input parameters included fuel injection strategy, injector design, and various in-cylinder flow and thermodynamic conditions at intake valve closure (IVC).

The present work discusses the potential benefits of using computational fluid dynamics (CFD) simulation and artificial intelligence (AI) in the design and optimization of hydrogen internal combustion engines (H2ICEs). A Machine Learning (ML) model is developed and applied to the CFD simulation data to identify optimal injection system parameters on the Sandia H2ICE Engine to improve the mixing. This approach can aid in developing predictive ML models to guide the design of future H2ICEs. For the current engine configuration, it is observed that hydrogen (H2) gas injection contributes mixing of H2 with air. If the injector parameters are optimized, mixture preparation is better and eventually combustion. A base CFD model is validated from the Sandia H2ICE engine data against Particle Image Velocimetry (PIV) data for velocity and Planar Laser Induced Fluorescence (PLIF) data for H2 mass fraction.