Large eddy simulation methods were used to simulate the effects of nozzle geometry flow on the process of fuel atomization near orifice in non-vaporizing conditions. Features of diesel spray dynamics in the near-field were discussed in detail. The numerical results indicated that nozzle configurations had a great influence on the spray characteristics(e.g., spray angle, breakup length, ligaments size and surface wave shapes). According to the simulated spray structure during the initial stages of injection, spray could be divided into three main regions: the continuous pillar region that was situated at a location close to the orifice exit, dispersed liquid region that was located at the periphery of the continuous liquid jet, and umbrella-like protrusion region at the tip of jet. Jet breakup during the initial stages of injection occurred mainly at the umbrella-like protrusion region, and Rayleigh-Taylor instability mode dominated because of transient acceleration in the direction normal to the gas-liquid interface. Then there were periodic surface waves appeared and increased at the gas-liquid interface of the continuous pillar region. The radial grow in wave amplitude causing ligaments at the wave crests. The ligaments were pinched off and broken into droplets. The surface wavelengths were determined as the mean distance between the highest point of the adjacent surface waves and the frequency was determined based on the mean velocity of the wave crests. When nozzle sac was modeled, turbulence due to separated flow in nozzle was strong enough to affect jet flow mode, the spray structure was governed by the turbulence fluctuations gradually instead of Kelvin-Helmholtz instability. The spatial distributions of the surface waves and small ligaments at the wave crests had the similar length scale with liquid turbulence.