Tough questions. Are you talking theoretical, or practical?
For practical, just reverse engineer a state of the art application.
For theoretical, read up on your thermo, choose a heat engine cycle, and do the analysis.
One of the issues encountered with SI engines is that beyond a point, optimization for efficiency reduces power density, due to knock limited BMEP. We're talking about compression ratio and coolant temnperature here. Of course if compression ratio and coolant temperature can be dynamically adjusted with load, then less compromise is necessary.
I'm not as well versed in diesel engines, but I believe one of the limitations encountered with so-called adiabatic engines is the most of the heat not extracted by the absent cooling system is not able to be extracted in the expansion stroke, and instead is lost to the exhaust. The reasons for this I don't recall exactly. I believe it is at least partially due to the need for a rapid process (high power density).