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Numerical calculations were performed to investigate the mixture formation, ignition, and combustion processes in a diesel spray. The spray was formed by injecting n-heptane into a constant volume vessel under high-temperature and high-pressure conditions. The fuel droplets were described by a discrete droplet model (DDM). Numerical calculations for the flow and turbulent diffusion processes were performed on the basis of large eddy simulation (LES) to describe the processes of local non-homogeneous mixture formation and heat release. The oxidation processes in the mixture were calculated by Schreiber's five-step mechanism for n-heptane. Calculations were performed for sprays formed by single-stage injection and pilot/main two-stage injection. The flame structure in a diesel spray and its temporal change were discussed using a flame index proposed by Yamashita et al.