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DOE OSTI2023

Deep learning closure models for large-eddy simulation of flows around bluff bodies

Near-wall flow simulation remains a central challenge in aerodynamics modelling: Reynolds-averaged Navier–Stokes predictions of separated flows are often inaccurate, and large-eddy simulation (LES) can require prohibitively small near-wall mesh sizes. A deep learning (DL) closure model for LES is developed by introducing untrained neural networks into the governing equations and training in situ for incompressible flows around rectangular prisms at moderate Reynolds numbers. The DL-LES models are trained using adjoint partial differential equation (PDE) optimization methods to match, as closely as possible, direct numerical simulation (DNS) data. They are then evaluated out-of-sample – for aspect ratios, Reynolds numbers and bluff-body geometries not included in the training data – and compared with standard LES models. The DL-LES models outperform these models and are able to achieve accurate LES predictions on a relatively coarse mesh (downsampled from the DNS mesh by factors of four or eight in each Cartesian direction). We study the accuracy of the DL-LES model for predicting the drag coefficient, near-wall and far-field mean flow, and resolved Reynolds stress. A crucial challenge is that the LES quantities of interest are the steady-state flow statistics; for example, a time-averaged velocity component $\langle {u}_i\rangle (x) = \lim _{t \rightarrow \infty } ({1}/{t}) \int _0^t u_i(s,x)\, {\rm d}s$ . Calculating the steady-state flow statistics therefore requires simulating the DL-LES equations over a large number of flow times through the domain. It is a non-trivial question whether an unsteady PDE model with a functional form defined by a deep neural network can remain stable and accurate on $t \in [0, \infty )$ , especially when trained over comparatively short time intervals. Our results demonstrate that the DL-LES models are accurate and stable over long time horizons, which enables the estimation of the steady-state mean velocity, fluctuations and drag coefficient of turbulent flows around bluff bodies relevant to aerodynamics applications.

Mechanics↗

DOE OSTI2025

Acoustic Tomography of the Atmosphere: A Large-Eddy Simulation Sensitivity Study

Accurate measurement of atmospheric turbulent fluctuations is critical for understanding environmental dynamics and improving models in applications such as wind energy. Advanced remote sensing technologies are essential for capturing instantaneous velocity and temperature fluctuations. Acoustic tomography (AT) offers a promising approach that utilizes sound travel times between an array of transducers to reconstruct turbulence fields. This study presents a systematic evaluation of the time-dependent stochastic inversion (TDSI) algorithm for AT using synthetic travel-time measurements derived from large-eddy simulation (LES) fields under both neutral and convective atmospheric boundary-layer conditions. Unlike prior work that relied on field observations or idealized fields, the LES framework provides a ground-truth atmospheric state, enabling quantitative assessment of TDSI retrieval reliability, sensitivity to travel-time measurement noise, and dependence on covariance model parameters and temporal data integration. A detailed sensitivity analysis was conducted to determine the best-fit model parameters, identify the tolerance thresholds for parameter mismatch, and establish a maximum spatial resolution. The TDSI algorithm successfully reconstructed large-scale velocity and temperature fluctuations with root mean square errors ( RMSE s) below 0.35 m/s and 0.12 K, respectively. Spectral analysis established a maximum spatial resolution of approximately 1.4 m, and reconstructions remained robust for travel-time measurement uncertainties up to 0.002 s. These findings provide critical insights into the operational limits of TDSI and inform future applications of AT for atmospheric turbulence characterization and system design.

17 WIND ENERGY↗

DOE OSTI2025

Factors Controlling Precipitation Onset and Maintenance: Inferences From Large Eddy Simulations of Two Afternoon Deep Convective Regimes Over Amazon

To investigate the environmental factors controlling the onset and maintenance of afternoon precipitation over tropical rainforests, two contrasting cases are created for large eddy simulations (LES) using GoAmazon observations: one features a single-pulse rain dissipating quickly in earlier afternoon, while the other shows double pulses lasting until evening. For these two specific cases under consideration, LES confirms that early-morning relative humidity dominates afternoon rain patterns. The attributed impacts are distinct: moisture determines the rain onset timing while temperature affects the peak rain intensity. Single-pulse day observes one round of strong precipitation and cold pools, which further suppresses convection. On double-pulse day, the first precipitation peak results from an intermediate development of congestus clouds, whose detrainment leads to a gradual moistening of the lower-to-middle troposphere. This behavior of convection favors a second pulse of stronger precipitation with more convective organization, whose development decouples from surface fluxes and sustains until evening.

Amazon↗

DOE OSTI2020

Large-eddy simulation study on cycle-to-cycle variation of knocking combustion in a spark-ignition engine

The cycle-to-cycle variation in the knock intensity is commonly encountered under abnormal combustion conditions. The severity of these abnormal combustion events can vary significantly, and the efficiency of engines at high loads is limited in practice by heavy knocking phenomena. Since, a thorough analysis of such recurrent but non-cyclic phenomena via experiments alone becomes highly cumbersome, in the present work, a multi-cycle large-eddy simulation study was performed to quantitatively predict cyclic variability in the combustion process and cyclic knock intensity variability in a direct injection spark-ignition engine. To account for the turbulence-chemistry interaction effects on flame propagation, the G-equation combustion model was used. Detailed chemistry was solved outside the flame front with a toluene primary reference fuel skeletal kinetic mechanism. For both the mild knock and heavy knock conditions, the numerical results were validated against experimental measurements. Based on the simulation results, a correlation analysis was performed considering combustion phasing, peak cylinder pressure and maximum amplitude of pressure oscillation. Furthermore, a detailed three-dimensional spatial analysis illustrated the evolution of auto-ignition kernel development and propagation of pressure waves during knocking combustion for three typical cycles with different knock intensities. In this process, it was found that an early occurrence of auto-ignition in the end gas was prone to high knock intensity. Although multiple auto-ignition kernels were observed in different cycles, the degree of coupling between chemical heat release and pressure waves varied, thereby leading to different maximum amplitude of pressure oscillation values.

42 ENGINEERING↗

DOE OSTI2024

ECAR-7932 Rev 0 Large Eddy Simulation of MARVEL Reactor Core Subchannel to Evaluate Model Uncertainty of Reynolds-Averaged Navier-Stokes Equation Based Computational Fluid Dynamics Analysis

In the previous work (ECAR-7210), the peak cladding temperature of the MARVEL microreactor has been evaluated by steady-state Reynolds-Averaged Navier-Stokes (RANS) based computational fluid dynamics (CFD) simulations. Although numerical uncertainties of RANS-based CFD simulations has been assessed in ECAR-7210, the model uncertainty of RANS turbulence models must be investigated to resolve the issues related to inaccurate prediction of turbulent heat flux and flow pulsation in a tight lattice rod bundle using the steady-state RANS simulations. Consequently, this ECAR conducted a high-fidelity CFD analysis utilizing Large Eddy Simulation (LES) to generate reference data and investigated the model uncertainty of RANS-based CFD simulations.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

DOE OSTI2022

The FastEddy® Resident-GPU Accelerated Large-Eddy Simulation Framework: Moist Dynamics Extension, Validation and Sensitivities of Modeling Non-Precipitating Shallow Cumulus Clouds

Herein we describe the moist dynamics formulation implemented within the graphics processing unit-resident large-eddy simulation FastEddy® model, which includes a simple saturation adjustment scheme for condensation and evaporation processes. Two LES model intercomparison exercises for non-precipitating shallow cumulus clouds are simulated in order to validate this model extension, including a static forcing and a time-dependent forcing case. Overall, we find our dynamical, thermodynamical and microphysical quantities, along with turbulence variability and fluxes, to be commensurate with the corresponding model intercomparison results. In addition, sensitivities to specific model settings are investigated. Among these settings, it is shown that boundary layer and cloud layer structure and characteristics are sensitive to use of higher-order advection schemes impacting the vertical distribution of cloud content and associated turbulence statistics. Increasing the timescale of the saturation scheme leads to enhanced liquid water presence and decreases vertical velocity variance within the cloud deck. In some cases, these sensitivities agree with the model-to-model variability reported in the intercomparison exercises, highlighting the important role of specific model implementation choices in the context of shallow cumulus convection simulations. These analyses and findings also provide the basis for future extensions and applications of FastEddy® for modeling moist convection and precipitation scenarios.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1993

A large eddy simulation scheme for turbulent reacting flows

The recent development of the dynamic subgrid-scale (SGS) model has provided a consistent method for generating localized turbulent mixing models and has opened up great possibilities for applying the large eddy simulation (LES) technique to real world problems. Given the fact that the direct numerical simulation (DNS) can not solve for engineering flow problems in the foreseeable future (Reynolds 1989), the LES is certainly an attractive alternative. It seems only natural to bring this new development in SGS modeling to bear on the reacting flows. The major stumbling block for introducing LES to reacting flow problems has been the proper modeling of the reaction source terms. Various models have been proposed, but none of them has a wide range of applicability. For example, some of the models in combustion have been based on the flamelet assumption which is only valid for relatively fast reactions. Some other models have neglected the effects of chemical reactions on the turbulent mixing time scale, which is certainly not valid for fast and non-isothermal reactions. The probability density function (PDF) method can be usefully employed to deal with the modeling of the reaction source terms. In order to fit into the framework of LES, a new PDF, the large eddy PDF (LEPDF), is introduced. This PDF provides an accurate representation for the filtered chemical source terms and can be readily calculated in the simulations. The details of this scheme are described.

Gao, Feng↗

DOE OSTI2023

Uncertainty quantification of bank vegetation impacts on the flood flow field in the American River, California, using large‐eddy simulations

Bank vegetation plays a key role in both hydrodynamics and morphodynamics of natural rivers; however, these effects are often unaccounted for in the computational flow dynamics of natural waterways. Recent studies using the large‐eddy simulation (LES), however, have attempted to gain insights into the impacts of bank vegetation on the mean flow field of the natural rivers using a vegetation model, which applies a sink term to the momentum equations of motion. This approach accounts for the effects of the vegetation and provides a practical approach to account for the complex patches of bank vegetation in large‐scale rivers. To implement the vegetation model, a drag coefficient reflecting the overall resistance of vegetal structures to the flow is needed, but due to the lack of calibrated data and range of size, density and type of vegetation, this parameter can be a significant source of uncertainty in the model results. Here, in this study, we use uncertainty quantification (UQ) to investigate the hydrodynamics and bed shear results when a bank vegetation is incorporated in an LES model. To this end, we used the polynomial chaos expansion and Monte Carlo sampling techniques to determine the uncertainties associated with the drag coefficient in the vegetation model and from uncertainties in the bed roughness and inflow discharge. The UQ analysis provided spatially varying confidence levels for the spanwise and vertical distribution of velocity magnitude and for the bed shear stress distributions. In addition, Sobol indices were computed to indicate the relative influence that each parameter had on the overall uncertainty. In general, it was found that uncertainty in flow discharge was the dominant source of uncertainty; however, the drag coefficient in the vegetation model and the bed roughness parameter also made significant contribution to the uncertainty near the banks and bed, respectively.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Measurement-driven large-eddy simulations of a diurnal cycle during a wake-steering field campaign

Abstract. High-fidelity flow modeling with data assimilation enables accurate representation of the wind farm operating environment under realistic, nonstationary atmospheric conditions. Capturing the temporal evolution of the turbulent atmospheric boundary layer is critical to understanding the behavior of wind turbines under operating conditions with simultaneously varying inflow and control inputs. This paper has three parts: the identification of a case study during a field evaluation of wake steering; the development of a tailored mesoscale-to-microscale coupling strategy that resolved local flow conditions within a large-eddy simulation (LES), using observations that did not completely capture the wind and temperature fields throughout the simulation domain; and the application of this coupling strategy to validate high-fidelity aeroelastic predictions of turbine performance and wake interactions with and without wake steering. The case study spans 4.5 h after midnight local time, during which wake steering was toggled on and off five times, achieving yaw offset angles ranging from 0 to 17°. To resolve nonstationary nighttime conditions that exhibited shear instabilities, the turbulence field was evolved starting from the diurnal cycle of the previous day. These background conditions were then used to drive wind farm simulations with two different models: an LES with actuator disk turbines and a steady-state engineering wake model. Subsequent analysis identified two representative periods during which the up- and downstream turbines were most nearly aligned with the mean wind direction and had observed yaw offsets of 0 and 15°. Both periods corresponded to partial waking on the downstream turbine, which had errors in the LES-predicted power of 4 % and 6 %, with and without wake steering. The LES was also able to capture conditions during which an upstream turbine wake induced a speedup at a downstream turbine and increased power production by up to 13 %.

17 WIND ENERGY↗

DOE OSTI2024

Evaluation of Autoconversion Representation in E3SMv2 Using an Ensemble of Large-Eddy Simulations of Low-Level Warm Clouds

In numerical atmospheric models that treat cloud and rain droplet populations as separate condensate categories, precipitation initiation in warm clouds is often represented by an autoconversion rate (Au), which is the rate of formation of new rain droplets through the collisions of cloud droplets. Being a function of the cloud droplet size distribution (DSD), the local Au is commonly parameterized as a function of DSD moments: cloud droplet number (n c ) and mass (q c ) concentrations. When applied in a large-scale model, the grid-mean Au must also include a correction, or enhancement factor, to account for the horizontal variability of the cloud properties across the model grid. In this study, we evaluate the Au representation in the Energy Exascale Earth System Model version 2 (E3SMv2) climate model using large-eddy simulations (LES), which explicitly resolve cloud droplet spectra, and therefore the local Au, as well as its spatial variability. The analysis of an ensemble of warm low-level cloud cases shows that the E3SMv2 formulation represents the Au reasonably well compared to the horizontally averaged explicitly computed rate from LES. The agreement, however, comes from a combination of an underestimated E3SM-tuned local Au rate and an overestimated subgrid cloud variability enhancement factor. The latter bias is traced to neglecting the horizontal variability of n c and its co-variability with q c in parameterizing the grid-mean Au.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Large Eddy Simulation of Lean Mixed-Mode Combustion Assisted by Partial Fuel Stratification in a Spark-Ignition Engine

Partial fuel stratification (PFS) is a promising fuel injection strategy to improve the stability of lean combustion by applying a small amount of pilot injection right before spark timing. Mixed-mode combustion, which makes use of end-gas autoignition following conventional deflagration-based combustion, can be further utilized to speed up the overall combustion. In this study, PFS-assisted mixed-mode combustion in a lean-burn direct injection spark-ignition (DISI) engine is numerically investigated using multi-cycle large eddy simulation (LES). A previously developed hybrid G-equation/well-stirred reactor combustion model for the well-mixed operation is extended to the PFS-assisted operation. The experimental spray morphology is employed to derive spray model parameters for the pilot injection. The LES-based model is validated against experimental data and is further compared with the Reynolds-averaged Navier–Stokes (RANS)-based model. Overall, both RANS and LES predict the mean pressure and heat release rate traces well, while LES outperforms RANS in capturing the cycle-to-cycle variation (CCV) and the combustion phasing in the mass burned space. Liquid and vapor penetrations obtained from the simulations agree reasonably well with the experiment. Detailed flame structures predicted from the simulations reveal the transition from a sooting diffusion flame to a lean premixed flame, which is consistent with experimental findings. LES captures more wrinkled and stretched flames than RANS. Finally, the LES model is employed to investigate the impacts of fuel properties, including heat of vaporization (HoV) and laminar burning speed (SL). Combustion phasing is found more sensitive to SL than to HoV, with a larger fuel property sensitivity of the heat release rate from autoignition than that from deflagration. Moreover, the combustion phasing in the PFS-assisted operation is shown to be less sensitive to SL compared with the well-mixed operation.

fuel property sensitivity↗

DOE OSTI2021

Evaluation of idealized large-eddy simulations performed with the Weather Research and Forecasting model using turbulence measurements from a 250 m meteorological mast

Abstract. We investigate the ability of the Weather Research and Forecasting model to perform large-eddy simulation of canonical flows. This is achieved through comparison of the simulation outputs with measurements from sonic anemometers on a 250 m meteorological mast located at Østerild, in northern Denmark. Østerild is on a flat and rough area, and for the predominant wind directions, the atmospheric flow can be considered to be close to homogeneous. The idealized simulated flows aim at representing atmospheric boundary layer turbulence under unstable, neutral, and stable stability conditions at the surface, which are statistically significant conditions observed at Østerild. We found that the resolved fields from the simulations appear to have the characteristics of the three stability regimes. Vertical profiles of observed mean wind speeds and direction are well reproduced by the simulations, with the largest differences under near-neutral conditions, where the effect of the subgrid-scale model is evident on the vertical wind shear close to the surface. Vertical profiles of observed eddy fluxes are also well reproduced by the simulations, with the largest differences for the three velocity component variances under stable stability conditions, although nearly always within the observed variability. With regards to turbulent kinetic energy, we find good agreement between observations and simulations at all vertical levels. Simulated and observed velocity spectra match very well and show very similar behavior with height and with atmospheric stability within the low-frequency interval; at the effective resolution, the simulated spectra show the typical drop-off of finite differences. Our findings demonstrate that these idealized simulations reproduce the characteristics of atmospheric stability regimes often observed at a high turbulent and flat site within a direction sector, where the air flows over nearly homogeneous land.

17 WIND ENERGY↗

NASA NTRS1995

A family of dynamic models for large-eddy simulation

Since its first application, the dynamic procedure has been recognized as an effective means to compute rather than prescribe the unknown coefficients that appear in a subgrid-scale model for Large-Eddy Simulation (LES). The dynamic procedure is usually used to determine the nondimensional coefficient in the Smagorinsky (1963) model. In reality the procedure is quite general and it is not limited to the Smagorinsky model by any theoretical or practical constraints. The purpose of this note is to consider a generalized family of dynamic eddy viscosity models that do not necessarily rely on the local equilibrium assumption built into the Smagorinsky model. By invoking an inertial range assumption, it will be shown that the coefficients in the new models need not be nondimensional. This additional degree of freedom allows the use of models that are scaled on traditionally unknown quantities such as the dissipation rate. In certain cases, the dynamic models with dimensional coefficients are simpler to implement, and allow for a 30% reduction in the number of required filtering operations.

Carati, D.↗

DOE OSTI2021

Large Eddy Simulations of Turbulent and Buoyant Flows in Urban and Complex Terrain Areas Using the Aeolus Model

Fast and accurate predictions of the flow and transport of materials in urban and complex terrain areas are challenging because of the heterogeneity of buildings and land features of different shapes and sizes connected by canyons and channels, which results in complex patterns of turbulence that can enhance material concentrations in certain regions. To address this challenge, we have developed an efficient three-dimensional computational fluid dynamics (CFD) code called Aeolus that is based on first principles for predicting transport and dispersion of materials in complex terrain and urban areas. The model can be run in a very efficient Reynolds average Navier–Stokes (RANS) mode or a detailed large eddy simulation (LES) mode. The RANS version of Aeolus was previously validated against field data for tracer gas and radiological dispersal releases. As a part of this work, we have validated the Aeolus model in LES mode against two different sets of data: (1) turbulence quantities measured in complex terrain at Askervein Hill; and (2) wind and tracer data from the Joint Urban 2003 field campaign for urban topography. As a third set-up, we have applied Aeolus to simulate cloud rise dynamics for buoyant plumes from high-temperature explosions. For all three cases, Aeolus LES predictions compare well to observations and other models. These results indicate that Aeolus LES can be used to accurately simulate turbulent flow and transport for a wide range of applications and scales.

42 ENGINEERING↗

NASA NTRS2001

Large Eddy Simulation of Gravitational Effects on Transitional and Turbulent Gas-Jet Diffusion Flames

The basic objective of this work is to assess the influence of gravity on "the compositional and the spatial structures" of transitional and turbulent diffusion flames via large eddy simulation (LES), and direct numerical simulation (DNS). The DNS is conducted for appraisal of the various closures employed in LES, and to study the effect of buoyancy on the small scale flow features. The LES is based on our "filtered mass density function"' (FMDF) model. The novelty of the methodology is that it allows for reliable simulations with inclusion of "realistic physics." It also allows for detailed analysis of the unsteady large scale flow evolution and compositional flame structure which is not usually possible via Reynolds averaged simulations.

Givi, Peyman↗

NASA NTRS1999

Large Eddy Simulation of Aircraft Wake Vortices in a Homogeneous Atmospheric Turbulence: Vortex Decay and Descent

The effects of ambient turbulence on decay and descent of aircraft wake vortices are studied using a validated, three-dimensional: large-eddy simulation model. Numerical simulations are performed in order to isolate the effect of ambient turbulence on the wake vortex decay rate within a neutrally-stratified atmosphere. Simulations are conducted for a range of turbulence intensities, by injecting wake vortex pairs into an approximately homogeneous and isotropic turbulence field. The decay rate of the vortex circulation increases clearly with increasing ambient turbulence level, which is consistent with field observations. Based on the results from the numerical simulations, simple decay models are proposed as functions of dimensionless ambient turbulence intensity (eta) and dimensionless time (T) for the circulation averaged over a range of radial distances. With good agreement with the numerical results, a Gaussian type of vortex decay model is proposed for weak turbulence: while an exponential type of Tortex decay model can be applied for strong turbulence. A relationship for the vortex descent based on above vortex decay model is also proposed. Although the proposed models are based on simulations assuming neutral stratification, the model predictions are compared to Lidar vortex measurements observed during stable, neutral, and unstable atmospheric conditions. In the neutral and unstable atmosphere, the model predictions appear to be in reasonable agreement with the observational data, while in the stably-stratified atmosphere, they largely underestimate the observed circulation decay with consistent overestimation of the observed vortex descent. The underestimation of vortex decay during stably-stratified conditions suggests that stratification has an important influence on vortex decay when ambient levels of turbulence are weak.

Han, Jongil↗

DOE OSTI2022

Large eddy simulation of flow through an axisymmetric sudden expansion

Here, this study aims at investigating the inlet flow conditions of flow through an axisymmetric sudden expansion with an expansion ratio of 2.0. A series of large eddy simulations with the WALE model were conducted for different inlet Reynolds numbers ( Re) and turbulence intensities ($u_{rms}/\bar{U}_m$). The reattachment length, defined as the length measured downstream of the expansion where the flow direction is reversed adjacent to the wall ( Lr), was measured for each case. For widely studied inlet turbulence intensity values (TI), the simulation results are in good agreement with the experimental and numerical results reported in the literature. Parametric studies revealed that turbulence intensity affects the critical Reynolds number, marking the transition between the laminar and transition regions and the reattachment length. The critical Reynolds number was found to decrease with increasing turbulence intensity. A correlation expression is proposed. Additional analysis with proper orthogonal decomposition was performed to enhance the understanding of complex flow structures downstream of the expansion. Finally, an overall correlation expression for the reattachment length was obtained for 500 ≤ Re ≤15 000 and 0.2 ≤ TI (%) ≤ 20. For a given turbulence intensity, the reattachment length can be expressed for laminar and turbulent regions as a function of the Reynolds number. The reattachment length in the transition region can be expressed as a fractional average of reattachment lengths for laminar and turbulent flows.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1993

Large-eddy simulation of turbulent flow in a channel with a surface-mounted two-dimensional obstacle using a dynamic subgrid-scale model

We apply the dynamic subgrid-scale model (DSGSM) to large-eddy simulation (LES) of turbulent channel flow with a square rib mounted on one wall. The Reynolds number (Re) is 3210 based on the mean velocity above the obstacle and the obstacle height. Near-wall structures are resolved with the no-slip boundary condition. The results show better agreement with direct numerical simulation (DNS) than LES with a fixed model constant, verifying the value of the DSGSM for simulating complex turbulent flows.

Yang, Kyung-Soo↗