Large Eddy Simulation Turbulence Research Articles

A new probability-distribution scale synthetic eddy method for large eddy simulation of wind loads

The accurate generation of inflow turbulence in large eddy simulation (LES) plays a crucial role in assessing the wind loads on buildings. To faithfully recreate turbulent flow fields, the inflow turbulence must accurately replicate vortex structures. In this study, we propose a novel method for generating turbulent inflow called the probability-distribution scale synthetic eddy method (PDSSEM). PDSSEM utilizes a random generation of eddy positions, with the length of each eddy scale determined by its probability density function (PDF). This approach ensures that PDSSEM maintains consistency in the mean wind speed profile, turbulence integral length, turbulence intensity profile, and wind speed spectra of the atmospheric boundary layer (ABL). The PDSSEM method can be more easily applied compared with multi-scale synthetic eddy method (MSSEM), making it highly versatile and adaptable. The self-sustaining characteristics of the flow field generated by PDSSEM are validated, revealing abundant vortex structures and good agreement with targeted values for turbulence flow characteristics. Furthermore, comparing the wind pressures of a tall building with the experimental data, the accuracy and feasibility of PDSSEM are comprehensively demonstrated. Thus, it indicates the great potential of the proposed method for broader computational wind engineering applications, including wind load evaluation and flow pattern investigation.

StyleGAN as an AI deconvolution operator for large eddy simulations of turbulent plasma equations in BOUT++

We present the use of StyleGAN, a face-synthesis generative adversarial network (GAN) developed by NVidia, as a deconvolution operator for large eddy simulation (LES) of plasma turbulence. The overall methodology, named style eddy simulation, has been integrated into the BOUT++ solver and tested on the original and modified Hasegawa–Wakatani models using different mesh sizes, 2562 and 5122, and different values of the adiabaticity parameter α and background density gradient κ. Using a LES resolution of 32 × 32 and 64 × 64, i.e., 64× smaller resolution than the corresponding direct numerical simulation (DNS), results show convergence toward the ground truth as we tighten the reconstruction tolerance, and an algorithm complexity O(N log N) is compared to the O(N2) of BOUT++. Finally, the trained GAN can be used to create valid initial conditions for a faster DNS by avoiding to start from nonphysical initial perturbations.

Large-Eddy Simulation Study of Injector Geometry and Parcel Injection Location on Spray Simulation of the Engine Combustion Network Spray G Injector

Abstract Recent improvements in computing power and numerical techniques have enabled us resolve minute details of spray plume behavior and its wall boundary interactions, and made detailed spray simulations using large-eddy simulation (LES) turbulence models available to many more engineers. However, guidelines for parcel-based spray simulation boundary and initial conditions are still based on results from lower-resolution and Reynolds averaged Navier–Stokes (RANS) simulations. Hence, it is necessary to critically examine those assumptions and compare their impact with results using a RANS turbulence model. Three different parameters, including whether a simulation includes a detailed injector tip geometry or a flat surface, whether parcels are initialized at the counterbore exit, which is more common, or at the nozzle exit, and whether to use an experimentally derived rate of injection or one-way coupling with a separate internal nozzle volume of fluid simulation, were examined with an LES turbulence model. Both local data close to the injector and global penetration results were used to compare simulations. Local data, such as the local liquid volume fraction, showed greater variation between the conditions, which may have an impact on mixing and combustion predictions in engine applications. Spray penetration and other global measures demonstrated limited sensitivity to the boundary conditions/initialization procedure. Results were also compared with prior results that used a RANS turbulence model. RANS simulations had overall smoother responses to the changes, as would be expected, but LES simulations showed similar trends in the effects for the measured variables.

Large-eddy-model closure and simulation of turbulent flux patterns over oasis surface

Abstract. Large-eddy simulations (LESs) have been increasingly used for studying atmosphere and land surface interactions over heterogeneous areas. However, parameterizations based on Monin–Obukhov Similarity Theory (MOST) often violate the basic assumptions of the very theory, generate inconsistencies with the LES turbulence closures, and produce surface flux estimates depending on LES model resolutions. Here, we propose a novel scheme for turbulent flux estimates in LES models. It computes the fluxes locally using the LES subgrid closure, which is then constrained on the macroscopic scale using MOST. Compared with several other schemes, the new scheme performs better for the various types of land surfaces tested. We validate our scheme by comparing surface flux estimates with field measurements obtained over an oasis surface at various height levels. Additionally, we scrutinize other quantities related to the surface energy balance, including net radiation, ground heat flux, and surface skin temperature, all of which align well with observational data. Our sensitivity experiments, focusing on model horizontal resolution, underscore the robustness of our scheme, as it maintains its corrective efficacy despite changes in horizontal grid spacing. We find that the macroscopic constraint imposed by MOST on LES-estimated fluxes strengthens as the horizontal grid spacing decreases, with a more pronounced influence on sensible than latent heat fluxes. These findings collectively highlight the promise and adaptability of our scheme for improved surface flux estimates in LES models.

Comparative Analysis of Turbulence Models for Thermal-Hydraulic Simulations in Aqueous Homogeneous Reactors

This article presents a comparative study of various turbulence models applied in the context of thermal-hydraulic simulations for liquid fuel reactors, specifically Aqueous Homogeneous Reactors (AHR) using Computational Fluid Dynamics. The objective was to assess the suitability of the turbulence models by comparing their results with data obtained from Large Eddy Simulation (LES). For that purpose, was compared the flow behavior predicted using the k-ε, SST, GEKO, DES, SBES, and LES turbulence models. The calculations were carried out in a simplified computational model derived from a pre-existing three-dimensional AHR conceptual design. By utilizing this simplified model, the study aimed to focus on the computational differences between the turbulence models, while minimizing the influence of other factors. The calculation results revealed that the k-ε model exhibited significant discrepancies with the LES, with relative differences for the fuel solution maximum temperature reaching up to 75 %. Among the remaining RANS models, the Shear Stress Transport (SST) model demonstrated the best compromise between accuracy and computational efficiency, with differences below 5 % and requiring only 1/5th of the time, compared to the LES model. The Scale-Resolving Simulation (SRS) models,DES and SBES, provided a more comprehensive description of flow behavior and results closer to LES, albeit with higher computational demands. Between these two models, only the DES model exhibited relative differences below or equal to 1 % compared to the LES model for the studied thermohydraulic parameters.

CFD assessment of RANS turbulence modeling for solidification in internal flows against experiments and higher fidelity LBM-LES phase change model

Generation-IV nuclear reactors’ potential coolant candidates include molten salts and liquid metals. Owing to their high melting temperature, both the design and safety assessments of these reactors need to take into consideration potential solidification events during normal or abnormal operation. This work assesses the Finite Volume Computational Fluid Dynamics (FV-CFD) enthalpy-porosity method combined with the Reynolds Averaged Navier Stokes (RANS) model k−ω to model internal solidification under turbulent flow conditions for high and low Prandtl numbers at a moderate computational cost, which is required for full-core nuclear reactor analyses. Concerning high Prandtl numbers, the predictions of macroscopic quantities generated by the FV-CFD RANS model are contrasted against a well-known internal solidification experiment on water (Thomason et al., 1978). A key factor in the satisfactory agreement between the CFD RANS model and the experiment is the addition of an interface turbulence-damping source to the specific dissipation rate equation (ω). For the low Prandtl numbers involved in liquid metals, there is a lack of high-fidelity experiments due to the complicated measurements. Thus, to perform the FV-CFD RANS model assessment, we develop and validate a high-fidelity phase-change model based on the Lattice Boltzmann Method (LBM) with a Large Eddy Simulation (LES) turbulence model. To the author’s knowledge, this is the first attempt to integrate LES turbulence models with phase-change solidification in the LBM context. Considering the computational time advantage of the FV-CFD RANS model over higher fidelity models and the good agreement of its predictions against experiments and the LES model demonstrated, this work demonstrates that FV-CFD RANS is an attractive tool to model internal turbulent solidification.

Numerical prediction of fire dynamics and the safety zone in large‐scale multiple pool fire in a dike using flamelet model

AbstractThis research aims to develop a computational fluid dynamics (CFD) methodology for estimating the safety zone around a dike with multiple pool fire (MPF). This study predicts the safety zone and burning characteristics of heptane MPF inside a square dike in calm wind and worst‐case crosswind situations using unsteady simulations. The heptane MPF is modelled using flamelet approach with large eddy simulation (LES) turbulence model incorporating the soot generation. Discrete ordinates and Moss–Brookes model estimate the effect of participating medium radiation on prediction of safety distance and soot production. The discretization is incorporated using an isotropic trimmed cell mesher with local refinement to resolve the flame characteristics in Simcenter STAR CCM+. An extensive grid‐independence study has been executed to find the optimal mesh. The flame temperature and O2 and CO2 mass fraction predictions in calm wind conditions are in good agreement with the experimental findings of Koseki and Yumoto and the maximum flame temperature predictions are within 2.8% error. The safety zone is predicted using the estimated radiative heat flux. The effect of different ordinate sets (angular discretization S4, S6, and S12) approach on safety distance prediction is investigated. The validated grid independent CFD model combined with flamelet generated manifold model and LES turbulence model is proposed to predict the safety zone for industrial MPF in crosswind scenarios, thereby preventing human fatalities and property loss.

Adjoint-based variational optimal mixed models for large-eddy simulation of turbulence

An adjoint-based variational optimal mixed model (VOMM) is proposed for subgrid-scale (SGS) closure in large-eddy simulation (LES) of turbulence. The stabilized adjoint LES equations are formulated by introducing a minimal regularization to address the numerical instabilities of the long-term gradient evaluations in chaotic turbulent flows. The VOMM model parameters are optimized by minimizing the discrepancy of energy dissipation spectra between LES calculations and a priori knowledge of direct numerical simulation using the gradient-based optimization. The a posteriori performance of the VOMM model is comprehensively examined in LES of three turbulent flows, including the forced homogeneous isotropic turbulence, decaying homogenous isotropic turbulence, and temporally evolving turbulent mixing layer. The VOMM model outperforms the dynamic Smagorinsky model, dynamic mixed model (DMM), and approximate deconvolution model in predictions of various turbulence statistics, including the velocity spectrum, structure functions, statistics of velocity increments and vorticity, temporal evolutions of the turbulent kinetic energy, dissipation rate, momentum thickness and Reynolds stress, as well as the instantaneous vortex structures at different grid resolutions and times. In addition, the VOMM model only takes up 30% time of the DMM model for all flow scenarios. These results demonstrate that the proposed VOMM model improves the numerical stability of LES and has high a posteriori accuracy and computational efficiency by incorporating the a priori information of turbulence statistics, highlighting that the VOMM model has a great potential to develop advanced SGS models in the LES of turbulence.

Consequence analysis of heptane multiple pool fire in a dike

Multiple Pool Fire (MPF) reasonably enhances the flame height, the rate of fuel combustion and irradiation due to cascading effect and flame merging of multiple pools. The distribution of temperature and radiative heat flux from the source is the key parameter in predicting safety distance. The current study’s major objective is to develop a Computational Fluid Dynamics (CFD) model to calculate the safety distance of MPF and validate the predicted results (flame temperature, radiative heat flux, CO2 and O2 mass fraction) with the experimental data. The flame structure and its thermal properties have been evaluated using the Reynolds Averaged Navier Stokes (RANS) and the Large Eddy Simulation (LES) model. The CFD results are found to be in close agreement with the experimental findings. The LES turbulence model predicts more accurately the flame structures and the fluctuations with an error of less than 3%, while the Re-Normalization Group k-ε model predicts the average characteristics. This authenticates the accuracy of computational methodology and robustness of the LES turbulence model to predict MPF flame characteristics. Furthermore, this computational methodology can be utilised by the industries for quantitative risk assessment and the worst-case scenario of various pool fires to save the human and material of the workplace beforehand.

Numerical treatments for large eddy simulations of liquid–liquid dispersions via population balance equation

In this work, we employ the two-fluid model under the large eddy simulations (LES) framework to investigate liquid–liquid dispersions in stirred tanks. The population balance equation was solved by the one primary and one secondary particle method, which was proven as identical as one-node quadrature method of moments. First, Aiyer's break-age kernel was investigated for its capability in the context of chemical stirred tank applications [Aiyer et al., “A population balance model for large eddy simulation of polydisperse droplet evolution,” J. Fluid Mech. 878, 700–739 (2019)]. Second, two new methods were proposed to handle the consistency problem and boundedness problem. These numerical problems were shown in our previous studies but had never been discussed in detail. Three test cases were launched, and results showed that our implementation ensures the moments' boundedness. The inconsistency problem was also treated properly. The predicted diameter also agrees well with experiments. Meanwhile, the phase segregation problem as observed in the unsteady Reynolds-Averaged Navier–Stokes simulations disappeared when a LES turbulence model was employed.

Examination of air flow characteristics over an open rectangular cavity between the plates

Air flow characteristics of an open cavity have been numerically examined by using different turbulence models of Detached Eddy Simulation (DES), k-ε Realizable, k-ω Shear Stress Transport (SST) and Large Eddy Simulation (LES) based on an experimental study of open literature. Numerical results of transient analyses have been compared to experimental results at cavity length-based Reynolds number of Re = 4600. Pressure distributions, streamline patterns, streamwise velocity components, mean velocity values and their vectors have been given in terms of contour graphics. Moreover, velocity profiles have been presented. Pressure fluctuations have been triggered by flow separation and its reattachment. Due to upstream separation of boundary layer, there was curved boundary layer obtained between the outer potential-flow-like and the recirculation zones. As a result, negative velocity values are evidence for rotational flows affected by formation of secondary flows in the cavity. Furthermore, lower pressure region has been observed as a result of rotational flow which was powerful in the open cavity. Numerical results of DES and LES turbulence models are in good agreement with the results of reference study. As the numerical results obtained by LES turbulence model are approximately same with those of experimental reference study, LES turbulence model is mostly recommended. As an option to these turbulence models, k-ω SST model could be utilized for limited computer capacity. However, k-ε Realizable model is not sufficient for capturing rotational flows which are very effective in terms of present case.

The effect of filter anisotropy on the large eddy simulation of turbulence

We study the effect of filter anisotropy and sub-filter scale (SFS) dynamics on the accuracy of large eddy simulation (LES) of turbulence, by using several types of SFS models including the dynamic Smagorinsky model (DSM), dynamic mixed model (DMM), and the direct deconvolution model (DDM) with the anisotropic filter. The aspect ratios (AR) of the filters for LES range from 1 to 16. We show that the DDM is capable of predicting SFS stresses accurately at highly anisotropic filter. In the a priori study, the correlation coefficients of SFS stress reconstructed by the DDM are over 90%, which are much larger than those of the DSM and DMM models. The correlation coefficients decrease as the AR increases. In the a posteriori studies, the DDM outperforms DSM and DMM models in the prediction of various turbulence statistics, including the velocity spectra, and probability density functions of the vorticity, SFS energy flux, velocity increments, strain-rate tensors and SFS stress. As the anisotropy increases, the results of DSM and DMM become worse, but DDM can give satisfactory results for all the filter-anisotropy cases. These results indicate that the DDM framework is a promising tool in developing advanced SFS models in the LES of turbulence in the presence of anisotropic filter.

Experimental and LBM analysis of medium-Reynolds number fluid flow around NACA0012 airfoil

PurposeThe purpose of this paper is the examination of fluid flow around NACA0012 airfoil, with the aim of the numerical validation between the experimental results in the wind tunnel and the Lattice Boltzmann method (LBM) analysis, for the medium Reynolds number (Re = 191,000). The LBM–large Eddy simulation (LES) method described in this paper opens up opportunities for faster computational fluid dynamics (CFD) analysis, because of the LBM scalability on high performance computing architectures, more specifically general purpose graphics processing units (GPGPUs), pertaining at the same time the high resolution LES approach.Design/methodology/approachProcess starts with data collection in open-circuit wind tunnel experiment. Furthermore, the pressure coefficient, as a comparative variable, has been used with varying angle of attack (2°, 4°, 6° and 8°) for both experiment and LBM analysis. To numerically reproduce the experimental results, the LBM coupled with the LES turbulence model, the generalized wall function (GWF) and the cumulant collision operator with D3Q27 velocity set has been used. Also, a mesh independence study has been provided to ensure result congruence.FindingsThe proposed LBM methodology is capable of highly accurate predictions when compared with experimental data. Besides, the special significance of this work is the possibility of experimental and CFD comparison for the same domain dimensions.Originality/valueConsidering the quality of results, root-mean-square error (RMSE) shows good correlations both for airfoil’s upper and lower surface. More precisely, maximal RMSE for the upper surface is 0.105, whereas 0.089 for the lower surface, regarding all angles of attack.

Computational fluid dynamics simulation of detonation wave propagation in modified pulse detonation combustor

In this paper effect of Schelkin spiral material on thermal load and detonation combustion wave propagation in pulse detonation combustor has been simulated. As detonation combustion is supersonic combustion process and energy release rate is very high. In this regards present researches are focusing on flame acceleration process to reduce the DDT run up length. Hence the Schelkin spiral is inserted in detonation tube, which creates a bluff body and enhanced the turbulence of flame propagation. During simulation three turbulence models are used to carry out the reliable and repeatable detonation wave in pulse detonation combustor near thin boundary layer of helical shape Shchelkin spiral. The computational fluid dynamics (CFD) simulation has been performed using Ansys fluent platform. The Large Eddy Simulation (LES), detached eddy simulation with realizable k-ε turbulence model and detached eddy simulation with SST k-ω turbulence model are used for reacting flow simulation. From this simulation the LES turbulence model shows better turbulence initiation of detonation wave with velocity magnitude of 3040 m/s in detonation tube compared to other two turbulence models. This velocity is higher than C-J velocity of 1800 m/s. Further computational result shows that deflagration to detonation transition take place at several waves traveling region, in presence of Shchelkin spiral in detonation tube.

Study of the Sloshing Dynamics in Partially Filled Rectangular Tanks with Submerged Baffles Using VOF and LES Turbulence Methods for Different Impact Angles

This research studies how the angle and dimensions of a single baffle affect the dynamics of a fluid in a closed rectangular tank under an accelerated harmonic vibration in resonance. A half-filled non-deformable rectangular tank with a single centered submerged baffle has been simulated using ANSYS® FLUENT. The study aims to characterize the effect of changing the baffle’s angle; hence, 10 simulations have been performed: without a baffle, 90°, 30°, 60°, 120° and 150°, either maintaining the baffle’s length or the projected height constant. The computational fluid dynamics (CFD) method using volume of fluid (VOF) and large eddy simulation (LES) are used to predict the movement of the fluid in two dimensions, which have been benchmarked against experimental data with excellent agreement. The motion is sinusoidal in the +X direction, with a frequency of oscillation equal to its first vibration mode. The parameters studied have been the free surface elevation, values at three different points and maximum; the center of gravity’s position, velocity, and acceleration; and the forces against the tank’s walls. It has been found that the 90° angle has the most significant damping effect, stabilizing the free-surface elevation, reducing the center of gravity dispersion, and leveling the impacting forces. Smaller angles also tame the sloshing and stabilize it.

Near-autonomous large eddy simulations of turbulence based on interscale energy transfer among resolved scales

Numerical simulations of turbulent flows at high Reynolds numbers rely on postulated turbulence models. We show that a model can be obtained by computing subgrid scale (SGS) energy transfer from the actual, resolved velocity fields in the course of simulations. This information, supplemented by asymptotic properties of the energy flux in the inertial range, allows self-contained simulations without postulating extraneous SGS models. For high Reynolds numbers such autonomous simulations lead to the inertial range ${k}^{\ensuremath{-}5/3}$ spectrum with the correct value of the Kolmogorov constant.

Development of Three-Dimensional LES Based Meshless Model of Continuous Casting of Steel

A large-eddy simulation (LES) based meshless model is developed for the three-dimensional (3D) problem of continuous casting (CC) of steel billet. The local collocation meshless method based on radial basis functions (RBF) is applied in 3D. The method applies scaled multiquadric (MQ) RBF with a shape parameter on seven nodded local sub-domains. The incompressible turbulent fluid flow is described using mass, energy, and momentum conservation equations and the LES turbulence model. The solidification system is solved with the mixture continuum model. The Boussinesq approximation for buoyancy and the Darcy approximation for porous media are used. Chorin’s fractional step method is used to couple velocity and pressure. The microscopic model is closed with the lever rule model. The LES model is compared to the two-equation Low Re k−ε turbulence Reynolds Averaged Navier–Stokes (RANS) model in terms of temperature, velocity and computational times. The LES model resolves transient character of vortices which RANS-type turbulence models are unable to tackle. The computational cost of LES models is considerably higher than in RANS. On the other hand, it results in a much lower computational cost than the direct numerical simulation (DNS). The paper demonstrates the ability of the method to solve realistic industrial 3D examples. Trivial adjustment of nodal densities, high accuracy, and low numerical diffusivity are the main advantages of this meshless method.

The effect of sub-filter scale dynamics in large eddy simulation of turbulence

We study the effect of sub-filter scale (SFS) dynamics on the accuracy of direct deconvolution models (DDM) in large eddy simulation of isotropic turbulence at different filter-to-grid ratios (FGR), by using several types of invertible filters including the Gaussian, Helmholtz I and II, Butterworth, Chebyshev I and II, Cauchy, Pao, and rapidly decaying filters. We show that the FGR is crucial in controlling errors to ensure an accurate prediction of SFS stresses. In the case of FGR of 1, the DDM models cannot accurately reconstruct SFS stress, since the effect of SFS dynamics on SFS stress is not properly resolved by the coarse grid. The prediction abilities of most DDM models are significantly improved at FGR of 2, giving rise to quite an accurate reconstruction of SFS stresses, except for the situation of Helmholtz I and II filters. All the DDM models give very accurate results at FGR of 4. Moreover, the DDM models are comprehensively compared against various traditional SFS models, including the velocity gradient model, dynamic Smagorinsky model (DSM), dynamic mixed model (DMM), and the approximate deconvolution model. In the a priori study, the correlation coefficients of SFS stress for the DDM are much larger than those of the traditional models. In the a posteriori study, DDM outperforms DSM and DMM models in the prediction of various velocity statistics and instantaneous flow structures. These results indicate that the DDM framework with an appropriate FGR has much potential in developing high-fidelity SFS models in the LES of turbulence.

Constant-coefficient spatial gradient models for the sub-grid scale closure in large-eddy simulation of turbulence

Constant-coefficient spatial gradient models (SGMs) are proposed for the sub-grid scale (SGS) closure in large-eddy simulation (LES) of turbulence. The model coefficients are determined either by expanding the neighboring first-order gradients using the local higher-order gradient or by directly discretizing the local higher-order gradients using first-order values among spatial stencil locations. The a priori tests show that the SGM model can have a correlation coefficient larger than 0.97, which is close to the machine-learning based model. In the a posteriori tests, the LESs with different SGS models are performed for the forced incompressible homogeneous isotropic turbulence (HIT) and weakly compressible turbulent mixing layer (TML). The performance of the SGM model is comprehensively examined through the prediction of the flow statistics including the velocity spectrum, the probability density functions of the strain rate, and velocity increments. The evolution of turbulent kinetic energy, the instantaneous structures of the vorticity field, and the Q-criterion are also examined to evaluate the spatial temporal performances of the LES. The predictions of the SGM model are consistently more satisfying compared to the traditional models, including the dynamic Smagorinsky model, the dynamic mixed model, and implicit-LES (ILES) while its computational cost is similar to traditional models. For the weakly compressible TML, most LESs perform better when the length scale of the initial perturbation field is larger than the filter width, providing a useful guidance for LES of turbulent mixing layers.

On Modeling of Spray G ECN Using ROI-Based Eulerian-Lagrangian Simulation

A numerical study has been carried out to understand the effects of Unsteady Reynolds Averaged Navier-Stokes (standard k ― ε and RNG k ― ε model) and large eddy simulations (LES) on a multi-hole gasoline direct injection (GDI) system. The fuel injector considered in this study is the Spray G nozzle from the Engine Combustion Network (ECN). A blob injection model, based on empirical rate of injection (ROI) profile, is considered in this study. The latest data on spray penetrations from Engine Combustion Network is used for model validation along with experimental findings on suction velocity and local droplet diameter. The spray breakup is simulated by using the KH-RT breakup length model. The turbulence model constant Cε1, is tuned to match with the experimental data of liquid and vapor penetrations in simulations while using the standard k-ε turbulence model. On the other hand, the Kelvin-Helmholtz breakup model time constant (B1) and Rayleigh Taylor breakup length constant (Cbl) are tuned for the RNG k ― ε turbulence model. From this work it is observed that by increasing the breakup length model constants (Cbl), the radial dispersion of the spray increases, and the extent of breakup is lowered. The set of optimized model parameters used with RNG k - ε is also used for LES modeling studies with different sub-grid models. The spray penetrations with standard k ― ε turbulence (Cε1=1.44) model are reported underpredicting, and the RNG k ― ε and LES sub-grid models predicted well with the latest and recommended data from ECN. In terms of gas axial velocity comparison, the standard k-ε(Cε1=1.44) simulation setup does not perform as well as the simulation setups using RNG k-ε and LES turbulence models (with breakup parameters: Cbl = 16 and B1 = 32). However, the standard k-ε(Cε1=1.44) simulation setup perform better than the simulation setups using RNG k-ε and LES turbulence models (with breakup parameters: Cbl = 16 and B1 = 32) when it comes to predicting local droplet diameter at 15 mm downstream of the injector tip. A parametric study is also performed considering the geometry of the stepped holes in the computational domain. The rate of injection based simulation is initiated at the end of the smaller hole. The case including the stepped holes led to over-prediction compared to the case with the usual computational domain (i.e., without the stepped holes), in terms of spray penetrations, but exhibited higher levels of fluctuations in the spray morphology. Finally, parametric studies were carried out to understand the relative importance of the individual spray sub-models (breakup, evaporation and collision) and the results are conclusive that for a spray simulation the breakup models are the dominant factors.