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Homogeneous charge compression ignition (HCCI) combined with high compression ratio is an effective way to improve engines’ thermal efficiency. However, the severe thermodynamic conditions at high load may induce knocking combustion thus damage the engine body. In this study, advanced compression ignition knocking characteristics were parametrically investigated through RCM experiments and simulation analysis. First, the knocking characteristics were optically investigated. The experimental results show that there even exists detonation when the knock occurs thus the combustion chamber is damaged. Considering both safety and costs, the effects of different initial conditions were numerically investigated and the results show that knocking characteristics is more related to initial pressure other than initial temperature. The initial pressure has a great influence on peak pressure and knock intensity while the initial temperature on knock onset.