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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Modeling Flow in a Microreactor Core: From High-Fidelity CFD to Subchannel Analysis

The accurate prediction of pressure drop in tightly packed, low–Reynolds number (Re) bare rod bundles is essential for the thermal-hydraulic design of the Microreactor Applications Research Validation and EvaLuation (MARVEL) reactor and other microreactor concepts. However, existing friction factor correlations, particularly the upgraded Cheng-Todreas (UCTD) correlation, have limited validation for the small pitch-to-diameter ratios (P/Ds) and transitional flow conditions characteristic of these systems. In this work, we perform high-fidelity large-eddy simulations (LESs) of both an infinite bare rod bundle and a finite bare 37-pin scalloped rod bundle across the range 1000≤ 𝑅𝑒 ≤5500. The simulations reveal strong gap vortex–driven transitional behavior and indicate that the UCTD may underpredict the friction factor by up to 28% at 𝑃/𝐷 = 1.05. Using the LES-calculated pressure drops, we formulate a new friction factor correlation that follows the Cheng-Todreas functional form but is calibrated for low-Re and tightly packed geometries representative of a MARVEL-like reactor. The correlation is implemented in the MOOSE (Multiphysics Object-Oriented Simulation Environment) subchannel module and compared against both the LES and UCTD predictions. Across all subchannel types, the proposed model reduces the streamwise velocity differences from as high as 44% (UCTD) to below 9%, and decreases the pressure gradient differences from 13% to 25% (UCTD) to 0.7% to 7% relative to the LES results. These results suggest that the new correlation has the potential to improve the pressure drop and flow field predictions for such geometries, highlighting the importance of high-fidelity simulations in supporting microreactor thermal-hydraulic model development and motivating future pressure drop experiments for compact rod bundles to further validate these findings.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
NASA NTRS1997

On the Computation of Sound by Large-Eddy Simulations

The effect of the small scales on the source term in Lighthill's acoustic analogy is investigated, with the objective of determining the accuracy of large-eddy simulations when applied to studies of flow-generated sound. The distribution of the turbulent quadrupole is predicted accurately, if models that take into account the trace of the SGS stresses are used. Its spatial distribution is also correct, indicating that the low-wave-number (or frequency) part of the sound spectrum can be predicted well by LES. Filtering, however, removes the small-scale fluctuations that contribute significantly to the higher derivatives in space and time of Lighthill's stress tensor T(sub ij). The rms fluctuations of the filtered derivatives are substantially lower than those of the unfiltered quantities. The small scales, however, are not strongly correlated, and are not expected to contribute significantly to the far-field sound; separate modeling of the subgrid-scale density fluctuations might, however, be required in some configurations.

Piomelli, Ugo↗
DOE OSTI2025

Structural uncertainty assessment for fire-engulfed objects in crosswind: Establishing credibility for a multiphysics wall-modeled large-eddy simulation paradigm

A structural uncertainty validation study for a large-scale, fire-engulfed, elevated object subjected to crosswind is presented to establish the credibility of a high-fidelity, low-Mach, turbulent reacting flow wall-modeled large-eddy simulation (WMLES) approach that includes multiphysics coupling to participating media radiation and conjugate heat transfer. To establish that WMLES can accurately predict surface quantities including drag and pressure coefficient in the low-Mach crosswind regime, a foundational elevated isothermal cylinder validation case is presented at a similar gap-to-diameter ratio of 0.25, spanning the subcritical to supercritical drag regime (Re 𝐷 = 1.1 × 10 5 and 4.3 × 10 5 , respectively). Here, this study exercised both static and dynamic coefficient LES (Smagorinsky and 𝑘 sgs ) with both local and exchange-based velocity sampling. Results showcase that the drag crisis (or the sudden drop in drag coefficient at increased Re 𝐷 ) is well captured when using an exchange-based dynamic coefficient WMLES methodology, while noting lack of mesh convergence and overall drag and pressure coefficient predictively when using a static coefficient, local velocity sampling WMLES. For the 𝒪⁡(10) m JP-8 liquid pool fire crosswind validation study presented, two experimental crosswind configurations (2 m/s and 9.5 m/s) are showcased for a fire-engulfed mock fuselage roughly 4 m in diameter. Using the best model-form practices identified in the isothermal study, dynamic coefficient 𝑘 sgs exchange-based WMLES fire validation findings demonstrate accurate peak irradiation and skin temperature predictions as a function of crosswind magnitude. Excessive yaw in the low-crosswind fuselage configuration, consistent with experimental findings, captured a significant predicted asymmetry in flame attachment and heat flux toward the downwind cylindrical cap—indicative of axial vortex structures transporting the flame along the upper and lower fuselage leeward surface. All fire mesh resolution simulations captured the experimental finding that as crosswind increased, predicted flame shape and peak irradiation magnitude onto the fuselage transitioned from a windward to a leeward cylinder location due to the migration of the upper- to lower-shear fuel/air mixing layer thereby demonstrating the novelty, significance, and credibility of this high-fidelity WMLES reacting flow framework.

Domino, Stefan Paul [Sandia National Laboratories ↗
DOE OSTI2025

Topography-Induced TKE Budget Behavior Over an Amazon Forest

Data from three different heights (35, 50 and 81 m) of one of the ATTO Project towers in the Amazon forest were used to calculate the TKE (turbulence kinetic energy) budget and some other statistics within the RSL (roughness sublayer). The statistical analyses were carried out for unstable and stable cases. The vertical transport and the vertical advection terms do not explain the imbalances found in the TKE budget, highlighting the impor- tance of horizontal terms in complex terrain. Indeed, patterns independent of the time of day were found for vertical transport, horizontal and vertical velocity skewness, the mean vertical component velocity, and momentum and vertical TKE flux. Here, the highest values of mean vertical velocity were observed from the direction where there is a valley near the tower, which may indicate a topographical effect. Monin-Obukhov Similarity Theory (MOST) predictions for the mean velocity gradient, strictly applicable only in the inertial sublayer (ISL), gave reasonable predictions at 35 and 50 m, but dimensionless dissipation rates displayed large scatter. At 81 m, there were clear deviations from MOST for the two functions, disclosing the effect of topography. In addition, a neutral LES (large-eddy simu- lation) study showed good agreement with tower data for the same general wind direction.

ATTO project↗
NASA NTRS1994

Large-eddy simulation of flow through a plane, asymmetric diffuser

A challenge for traditional turbulence modeling, based on the Reynolds averaged Navier-Stokes equations, remains the accurate prediction of 'mild', adverse pressure-gradient driven separation from a smooth surface. With this study we want to explore the capability of large-eddy simulation to predict the separation which occurs on the deflected wall of an asymmetric, plane diffuser with opening angle of 10 deg. The flow through the plane diffuser exhibits some additional interesting physical phenomena which make it a challenging test case. In addition to 'mild' separation about halfway down the deflected ramp, the flow is characterized by a small backflow zone with stalled fluid in the rear part of the expanding section. The turbulent flow entering the diffuser is subject to combined adverse and radial pressure gradients stemming from the convex curvature. Finally the flow recovers into a developed, turbulent channel flow in the outlet section. Obi et al. provide measurements of mean flow, Reynolds stresses, and pressure recovery, which were obtained by means of LDV in a wind tunnel. The objective of this study is to investigate whether LES with the standard dynamic model is able to accurately predict the flow in the one-sided diffuser and to explore the resolution requirements and associated costs.

Kaltenbach, Hans-Jakob↗
NASA NTRS2001

The Numerical Analysis of a Turbulent Compressible Jet

A numerical method to simulate high Reynolds number jet flows was formulated and applied to gain a better understanding of the flow physics. Large-eddy simulation was chosen as the most promising approach to model the turbulent structures due to its compromise between accuracy and computational expense. The filtered Navier-Stokes equations were developed including a total energy form of the energy equation. Subgrid scale models for the momentum and energy equations were adapted from compressible forms of Smagorinsky's original model. The effect of using disparate temporal and spatial accuracy in a numerical scheme was discovered through one-dimensional model problems and a new uniformly fourth-order accurate numerical method was developed. Results from two- and three-dimensional validation exercises show that the code accurately reproduces both viscous and inviscid flows. Numerous axisymmetric jet simulations were performed to investigate the effect of grid resolution, numerical scheme, exit boundary conditions and subgrid scale modeling on the solution and the results were used to guide the three-dimensional calculations. Three-dimensional calculations of a Mach 1.4 jet showed that this LES simulation accurately captures the physics of the turbulent flow. The agreement with experimental data was relatively good and is much better than results in the current literature. Turbulent intensities indicate that the turbulent structures at this level of modeling are not isotropic and this information could lend itself to the development of improved subgrid scale models for LES and turbulence models for RANS simulations. A two point correlation technique was used to quantify the turbulent structures. Two point space correlations were used to obtain a measure of the integral length scale, which proved to be approximately 1/2 D(sub j). Two point space-time correlations were used to obtain the convection velocity for the turbulent structures. This velocity ranged from 0.57 to 0.71 U(sub j).

DeBonis, James R.↗
NASA NTRS1997

Large-Eddy Simulation of Transition to Turbulence in Boundary Layers

Large-eddy simulation results for laminar-to-turbulent transition in a spatially developing boundary layer are presented. The disturbances are ingested into a laminar flow through an unsteady suction-and-blowing strip. The filtered, three-dimensional time- dependent Navier-Stokes equations are integrated numerically using spectral, high-order finite-difference, and three-stage low-storage Runge-Kutta methods. The buffer-domain technique is used for the outflow boundary condition. The localized dynamic model used to parameterize the subgrid-scale stresses begins to have a significant impact at the beginning of the nonlinear transition (or intermittency) region. The flow structures commonly found in experiments are also observed in the present simulation; the computed linear instability modes and secondary instability lambda-vortex structures are in agreement with the experiments, and the streak-like-structures and turbulent statistics compare with both the experiments and the theory. The physics captured in the present LES are consistent with the experiments and the full Navier-Stokes simulation (DNS), at a significant fraction of the DNS cost. A comparison of the results obtained with several SGS models shows that the localized model gives accurate results both in a statistical sense and in terms of predicting the dynamics of the energy-carrying eddies, without ad hoc adjustments.

Huai, Xiao-Li↗
DOE OSTI2025

Turbulence-Resolving Simulations of Hurricane Laura (2020): Insights Into Extreme Winds and Eyewall Turbulence

Extreme weather events pose significant risks to coastal and offshore energy infrastructure. In this work, we investigate the structure of mean winds and turbulence near the surface ( z < 300 m) that occurred during Hurricane Laura in 2020 on the US Gulf Coast. To this end, we perform turbulence-resolving simulations (..delta..x = 33.33 m) that encompass the entire eyewall of Hurricane Laura by introducing a novel method that we will refer to as Moving-Mesoscale to Static-LES Integrated Coupling (MOSAIC). The simulation results are validated against surface, boundary-layer, and mid-tropospheric observations. Our analysis of the extreme wind conditions near the surface indicates that the mean wind and turbulence profiles vary greatly at and near the eyewall, resulting in extreme values of mean wind speed (U > 50 m * s-1) and turbulence kinetic energy (k ~ 50 m2 * s-2) at altitudes above 50 m . To investigate in detail the nature of turbulence within the eyewall of the storm, we conduct higher-resolution simulations (..delta..x = 11.11 m) of a portion of the hurricane. We provide a comprehensive statistical description of turbulence in the eyewall region, highlighting the need to employ ..delta..x ~ 10 m grid spacing to capture the integral length-scales near the surface, second- and higher-order central moments (i.e., skewness and kurtosis), and spectral coherence in the flow accurately. These numerical simulations provide the most detailed description of mean winds and turbulent conditions within the eyewall of a historical tropical cyclone to date, illustrating how high-resolution simulations can enhance limited turbulence measurements in hurricanes and giving insight into the extreme conditions threatening offshore and coastal infrastructure.

17 WIND ENERGY↗
DOE OSTI2025

Resolving Low Cloud Feedbacks Globally With E3SM High‐Res MMF: Agreement With LES but Stronger Shortwave Effects

This study investigates low cloud feedback in a warmer climate using global simulations from the High-Resolution Multi-scale Modeling Framework (HR-MMF), which explicitly simulates small-scale eddies globally. Two 5-year simulations—one with present-day sea surface temperatures (SSTs) and a second with SSTs warmed uniformly by 4 K—reveal a positive global shortwave cloud radiative effect (SWCRE = 0.3 W/m 2 /K), comparable to estimates from CMIP models. As the climate warms, significant reductions in low cloud cover occur over stratocumulus regions. This study is the first attempt to compare HR-MMF results with predictions from idealized large-eddy simulations from the CGILS intercomparison. Despite different underlying assumptions, we find qualitative agreement in SWCRE and inversion height changes between HR-MMF and CGILS predictions. This suggests reasonable credibility for the CGILS framework in predicting cloud responses under the out-of-sample conditions found in HR-MMF. However, the HR-MMF exhibits stronger SWCRE changes than predicted by CGILS. We explore potential causes for this discrepancy, examining variations in cloud-controlling factors (CCFs) and cloud conditions. Our results show a fairly homogeneous SWCRE response, with little systematic variation tied to the variations in CCFs. This reveals a dominant role for SST forcing in modulating SWCRE.

boundary-layer clouds↗
DOE OSTI2025

An intercomparison of wall fluxes in a turbulent thermal convection chamber: Direct numerical simulations and wall-modeled large-eddy simulations enhanced by machine learning

Thermal convection in a closed chamber is driven by a warm bottom, a cold top, and side walls at various temperatures. Although wall fluxes are the source of convection energy, accurately modeling these fluxes (i.e., the wall model) is challenging. In large-eddy simulations (LESs), many wall models are traditionally derived from the canonical boundary layer, which may be unsuitable for thermal convection bounded by both horizontal and vertical walls. This study conducts a model intercomparison of dry convection in a cubic-meter chamber using three direct numerical simulations (DNSs) and four LESs with different wall models. The LESs employ traditional wall models, a new wall model employing physics-aware neural networks, and a refined grid near the walls. The experiment involves four cases with varying sidewall temperatures. Our results show that LESs capture the main flow features and the trends of mean fluxes. The physics-aware neural networks and refined wall grids can improve the temporally averaged local fluxes when the large-scale circulation has a preferred direction. Even without the local improvement of wall fluxes, the LES flow quantities (temperature and velocities) can still largely match those in DNSs, provided the mean flux largely matches the DNSs. Additionally, DNSs reveal that a variation in corner treatments has minimal impacts on the flow quantities away from corners. Finally, LESs underestimate the mean fluxes of the entire wall due to their inability to resolve corner regions, but their mean flux away from the corner can better match DNS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Numerical Investigation of Ammonia/n-Heptane Dual-Fuel Spray Flames Using Large Eddy Simulations

Diesel engines are extensively used in heavy-duty transportation, power generation, and marine vehicles due to their superior thermal efficiency and extended high-load operability compared to spark ignition (SI) engines. However, combustion in diesel engines is generally characterized by locally rich fuel–air mixtures and high combustion temperatures, causing significant amounts of soot and NO x emissions from these engines. Utilizing carbon-free alternative fuels and enhancing fuel efficiency represent promising strategies to mitigate greenhouse gas (GHG) and other emissions in the heavy-duty transportation sector. In this context, ammonia (NH 3 ), as a hydrogen carrier, has received significant attention as a viable substitute for hydrocarbon fuels due to its carbon-free composition, relatively high energy density, and well-established infrastructure. Many previous studies have considered combustion and emission characteristics of ammonia-hydrocarbon fuel blends in engines and simplified flames. But, detailed investigations on the effects of ammonia on the performance of hydrocarbon fuels under engine conditions are lacking. In the present study, we perform large eddy simulations (LES) of the ignition and flame processes in a constant-volume combustion reactor, where n-heptane is injected in an ammonia/air ambient mixture in a diesel-like environment. A detailed and validated reaction mechanism containing 302 species and 1981 reactions is employed. The Engine Combustion Network Spray H experimental data is used to validate the spray model under both non-reacting and reacting conditions. Dual-fuel combustion is simulated using the well-stirred reactor (WSR) approach. Results are presented for two spray cases: (1) single fuel (SF) with n-heptane injected into a mixture of air and combustion products and (2) dual-fuel (DF) with the injection of n-heptane in a mixture of air, ammonia, and combustion products. It is observed that the presence of ammonia has a significant effect on the ignition and flame development processes. With ammonia addition, both the first- and second-stage ignition delay times increase, but the effect of ammonia on the second-stage ignition is significantly more prominent. In addition, the ignition kernel size and growth rate decrease noticeably. For SF spray, the main ignition is characterized by multiple ignition kernels near the spray tip, whereas for DF spray, a single relatively small ignition kernel forms and grows slowly in the downstream direction. The flame development and the final quasi-steady flame structure are also modified due to ammonia. Here, the outcome of this research would enable a better understanding of ammonia–diesel dual-fuel spray flame behavior and guide the development of associated engine combustion strategies.

ammonia↗
DOE OSTI2026

Benchmarking of three DWM-based wake models at below-rated wind speeds

Wind turbine wake models are essential tools for predicting power losses and structural loads in wind farms. Among these, the dynamic wake meandering (DWM) model, included as a recommended approach in the International Electrotechnical Commission design standard, is a widely used engineering-fidelity method that balances accuracy and computational cost. This study compares the performance of three DWM-based wake model implementations (from the Technical University of Denmark, the National Renewable Energy Laboratory, and the Institute for Energy Technology) under below-rated wind speed conditions. Model predictions of wake flow, power output, and structural loads for a four-turbine row are evaluated across different ambient turbulence levels and wind-direction misalignments and compared against high-fidelity large-eddy simulation results. All three models captured the overall wake evolution and mean turbine performance with reasonable accuracy; their predicted time-averaged thrust and power were typically within 5 %–10 % of the large-eddy simulation benchmark. However, notable differences emerged in wake structure and unsteady load predictions, with discrepancies increasing for turbines further downstream. These differences highlight the importance of modelling choices such as wake summation and turbulence treatment, which strongly influence power-deficit and fatigue-load predictions. Comparison with large-eddy simulations reveals each approach's strengths and weaknesses, indicating where improvements are needed. Overall, the findings point to specific refinements for DWM models to improve their fidelity, ultimately enabling more robust wake predictions for wind farm design and operation.

17 WIND ENERGY↗
NASA NTRS1992

Direct and large-eddy simulations of three-dimensional compressible Navier-Stokes turbulence

This paper reports results from the numerical implementation and testing of the compressible large eddy-simulation (LES). Relevant quantities from 32-cubed coarse grid LES solutions are compared with results generated from direct numerical simulations (DNS) of three-dimensional compressible turbulence that have been run both with sufficient resolution, at 96 cubed. The 32 cubed LES results overall agree well with their 96 cubed DNS counterparts. Moreover, the new DNS results confirm several recent conclusions about compressible turbulence that have been based primarily on two-dimensional simulations.

Zang, T. A.↗
NASA NTRS1993

Large-eddy simulation of turbulent flow with a surface-mounted two-dimensional obstacle

In this paper, we perform a large eddy simulation (LES) of turbulent flow in a channel containing a two-dimensional obstacle on one wall using a dynamic subgrid-scale model (DSGSM) at Re = 3210, based on bulk velocity above the obstacle and obstacle height; the wall layers are fully resolved. The low Re enables us to perform a DNS (Case 1) against which to validate the LES results. The LES with the DSGSM is designated Case 2. In addition, an LES with the conventional fixed model constant (Case 3) is conducted to allow identification of improvements due to the DSGSM. We also include LES at Re = 82,000 (Case 4) using conventional Smagorinsky subgrid-scale model and a wall-layer model. The results will be compared with the experiment of Dimaczek et al.

Yang, Kyung-Soo↗
NASA NTRS1998

Coordinated Parameterization Development and Large-Eddy Simulation for Marine and Arctic Cloud-Topped Boundary Layers

The goal of this project was to compare observations of marine and arctic boundary layers with (i) parameterization systems used in climate and weather forecast models, and (ii) two and three dimensional eddy resolving (LES) models for turbulent fluid flow. Based on this comparison, we hoped to better understand, predict, and parameterize the boundary layer structure and cloud amount, type and thickness as functions of large scale conditions that are predicted by global climate models.

Bretherton, Christopher S.↗
NASA NTRS2002

The Role of Turbulence in Chemical and Dynamical Processes in the Near-Field Wake of Subsonic Aircraft

During this grant, covering the period from September 1998 to December 2001, we continued the investigation of the role of turbulent mixing in the wake of subsonic aircraft initiated in 1994 for NASA's Atmospheric Effects of Aviation Project. The goal of the research has been to provide sufficient understanding and quantitative analytical capability to assess the dynamical, chemical, and microphysical interactions in the near-field wake that have the greatest potential to influence the global atmospheric impact of the projected fleet of subsonic aircraft. Through large-eddy simulations we have shown that turbulence in the early wake dynamics can have a strong effect on both the ice microphysics of contrail evolution and on wake chemistry. The wake vortex dynamics are the primary determinant of the vertical extent of the contrail; this together with the local wind shear largely determines the horizontal extent. The fraction of the initial ice crystals surviving the wake vortex dynamics, their spatial distribution, and the ice mass distribution are all sensitive to the aircraft type, assumed initial ice crystal number, and ambient humidity and turbulence conditions. Our model indicates that there is a significant range of conditions for which a smaller aircraft such as a B737 produces as significant a persistent contrail as a larger aircraft such as a B747, even though the latter consumes almost five times as much fuel. Large-eddy simulations of the near wake of a B757 provided a fine-grained chemical-dynamical representation of simplified NOx - HOx chemistry in wakes of ages from a few seconds to several minutes. By sampling the simulated data in a manner similar to that of in situ aircraft measurements it was possible to provide a likely explanation for a puzzle uncovered in the 1996 SUCCESS flight measurements of OH and HO2 The results illustrate the importance of considering fluid dynamics effects in interpreting chemistry results when mixing rates and species fluctuations are large, and demonstrate the feasibility of using 3D unsteady LES with coupled chemistry to study such phenomena.

Lewellen, D. C.↗
NASA NTRS2002

Coordinated Parameterization Development and Large-Eddy Simulation for Marine and Arctic Cloud-Topped Boundary Layers

The goal of this project was to compare observations of marine and arctic boundary layers with: (1) parameterization systems used in climate and weather forecast models; and (2) two and three dimensional eddy resolving (LES) models for turbulent fluid flow. Based on this comparison, we hoped to better understand, predict, and parameterize the boundary layer structure and cloud amount, type, and thickness as functions of large scale conditions that are predicted by global climate models. The principal achievements of the project were as follows: (1) Development of a novel boundary layer parameterization for large-scale models that better represents the physical processes in marine boundary layer clouds; and (2) Comparison of column output from the ECMWF global forecast model with observations from the SHEBA experiment. Overall the forecast model did predict most of the major precipitation events and synoptic variability observed over the year of observation of the SHEBA ice camp.

Bretherton, Christopher S.↗
NASA NTRS2003

Dynamic Turbulence Modelling in Large-eddy Simulations of the Cloud-topped Atmospheric Boundary Layer

The use of large eddy simulation, or LES, to study the atmospheric boundary layer dates back to the early 1970s when Deardor (1972) used a three-dimensional simulation to determine velocity and temperature scales in the convective boundary layer. In 1974 he applied LES to the problem of mixing layer entrainment (Deardor 1974) and in 1980 to the cloud-topped boundary layer (Deardor 1980b). Since that time the LES approach has been applied to atmospheric boundary layer problems by numerous authors. While LES has been shown to be relatively robust for simple cases such as a clear, convective boundary layer (Mason 1989), simulation of the cloud-topped boundary layer has proved more of a challenge. The combination of small length scales and anisotropic turbulence coupled with cloud microphysics and radiation effects places a heavy burden on the turbulence model, especially in the cloud-top region. Consequently, over the past few decades considerable effort has been devoted to developing turbulence models that are better able to parameterize these processes. Much of this work has involved taking parameterizations developed for neutral boundary layers and deriving corrections to account for buoyancy effects associated with the background stratification and local buoyancy sources due to radiative and latent heat transfer within the cloud (see Lilly 1962; Deardor 1980a; Mason 1989; MacVean & Mason 1990, for example). In this paper we hope to contribute to this effort by presenting a number of turbulence models in which the model coefficients are calculated dynamically during the simulation rather than being prescribed a priori.

Kirkpatrick, M. P.↗