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Multi-mode combustion strategies may provide a promising pathway to improve thermal efficiency in light-duty spark ignition (SI) engines by enabling switchable combustion modes, wherein an engine may operate under advanced compression ignition (ACI) at low load and spark-assisted ignition at high load. The extension from the SI mode to the ACI mode requires accurate control of intake charge conditions, e.g., pressure, temperature and equivalence ratio, in order to achieve stable combustion phasing and rapid mode-switches. This study presents results from computational fluid dynamics (CFD) analysis to gain insights into mixture charge formation and combustion dynamics pertaining to auto-ignition processes. The computational study begins with a discussion of thermal wall boundary condition that significantly impacts the combustion phasing.