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Three-dimensional large eddy simulation (LES) has been conducted for a diesel spray flame using KIVALES which is LES version of KIVA code. Modified TAB model, velocity interpolation model and rigid sphere model are used to improve the prediction of the fuel-mixture process in the diesel spray. Combustion is simulated using the Eddy-Dissipation model. CIP method was incorporated into the KIVALES in order to suppress the numerical instability on the combustible flow. The formation of soot and NO was simulated using Hiroyasu model and KIVA original model. Three different grid resolutions were used to examine the grid dependency. The result shows that the LES approach with 0.5 mm grid size is able to resolve the instantaneous spray with the intermittency in the spray periphery, the axi-symmetric shape and meandering flow after the end of injection as shown in the experimental results.