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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

a priori uncertainty quantification of reacting turbulence closure models using Bayesian neural networks

While many physics-based closure model forms have been posited for the sub-filter scale (SFS) in large eddy simulation (LES), vast amounts of data available from direct numerical simulations (DNS) create opportunities to leverage data-driven modeling techniques. Albeit flexible, data-driven models still depend on the dataset and the functional form of the model chosen. Increased adoption of such models requires reliable uncertainty estimates both in the data-informed and out-of-distribution regimes. Here, in this work, we employ Bayesian neural networks (BNNs) to capture both epistemic and aleatoric uncertainties in a reacting flow model. In particular, we model the filtered progress variable scalar dissipation rate which plays a key role in the dynamics of turbulent premixed flames. We demonstrate that BNN models can provide unique insights about the structure of uncertainty of the data-driven closure models. We also propose a method for the incorporation of out-of-distribution information in a BNN, which can be used for out-of-distribution query detection. The efficacy of the model is demonstrated by a priori evaluation on a dataset consisting of a variety of flame conditions and fuels.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Structural uncertainty assessment for low-Mach wall-resolved large-eddy simulations: Plane Channel and Periodic Hill Use Cases

A structural uncertainty assessment is provided for a set of wall-resolved large-eddy simulations (WRLES) using a turbulent channel flow (𝑅𝑒 𝜏 395) and a periodic hill in the turbulent regime (𝑅𝑒 𝑏 2800) validation suite. The standard one-equation subgrid scale turbulent kinetic energy model (𝑘 𝑠𝑔𝑠 ) using both a static and dynamic coefficient approach along with Wall Adapting Local Eddy Viscosity (WALE) are exercised. The 𝑘 𝑠𝑔𝑠 model activated in this study also allows for a correction that supports theoretical turbulent viscosity and total kinetic energy scaling (cubit and quadratic, respectively) in the near-wall regime. Channel and hill results showcase very good agreement between prediction and simulation for the WALE and the dynamic coefficient 𝑘 𝑠𝑔𝑠 model. The study also demonstrates that near-wall damping improves predictivity for the static coefficient 𝑘 𝑠𝑔𝑠 model, while proving an unnecessary additional contribution for the dynamic coefficient 𝑘 𝑠𝑔𝑠 model as near-wall scaling is naturally captured. Overall conclusions are that this suite of WRLES models are well suited for production usage in the Sierra-based low-Mach codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Efficacy of the Cell Perturbation Method in Large-Eddy Simulations of Boundary Layer Flow over Complex Terrain

A challenge to simulating turbulent flow in multiscale atmospheric applications is the efficient generation of resolved turbulence motions over an area of interest. One approach is to apply small perturbations to flow variables near the inflow planes of turbulence-resolving simulation domains nested within larger mesoscale domains. While this approach has been examined in numerous idealized and simple terrain cases, its efficacy in complex terrain environments has not yet been fully explored. Here, we examine the benefits of the stochastic cell perturbation method (CPM) over real complex terrain using data from the 2017 Perdigão field campaign, conducted in an approximately 2-km wide valley situated between two nearly parallel ridges. Following a typical configuration for multiscale simulation using nested domains within the Weather Research and Forecasting (WRF) model to downscale from the mesoscale to a large-eddy simulation (LES), we apply the CPM on a domain with horizontal grid spacing of 150 m. At this resolution, spurious coherent structures are often observed under unstable atmospheric conditions with moderate mean wind speeds. Results from such an intermediate resolution grid are often nested down for finer, more detailed LES, where these spurious structures adversely affect the development of turbulence on the subsequent finer grid nest. We therefore examine the impacts of the CPM on the representation of turbulence within the nested LES domain under moderate mean flow conditions in three different stability regimes: weakly convective, strongly convective, and weakly stable. In addition, two different resolutions of the underlying terrain are used to explore the role of the complex topography itself in generating turbulent structures. We demonstrate that the CPM improves the representation of turbulence within the LES domain, relative to the use of high-resolution complex terrain alone. During the convective conditions, the CPM improves the rate at which smaller-scales of turbulence form, while also accelerating the attenuation of the spurious numerically generated roll structures near the inflow boundary. During stable conditions, the coarse mesh spacing of the intermediate LES domain used herein was insufficient to maintain resolved turbulence using CPM as the flow develops downstream, highlighting the need for yet higher resolution under even weakly stable conditions, and the importance of accurate representation of flow on intermediate LES grids.

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

Comparative Evaluation of the Ability of the MYNN‐EDMF PBL Scheme in WRF Model to Reproduce Near Surface Wind Speed Over Different Topographical Types

Abstract This study systematically evaluates the performance of the Mellor‐Yamada‐Nakanishi‐Niino‐Eddy‐Diffusion‐Mass‐Flux planetary boundary layer (PBL) scheme within the Weather Research and Forecasting (WRF) model in simulating near‐surface wind speeds across various topographies in New York State (NYS). Simulated wind speeds are compared with in‐situ measurements from 22 surface sites, grouped into six topographic categories: continental plain (CT), lakeside (LS), river valley (RV), Long Island (LI), Block Island (BI), and offshore ocean (OO). A quantitative evaluation based on Relative Euclidean Distance shows that wind speeds at the OO site are the most accurately reproduced, followed by those at LI sites, while the model performs less accurately for the remaining topographic groups. Wind speeds over CT sites tend to be overestimated by approximately 1 m/s, although their diurnal variability (DV) is well captured. In contrast, the model underestimates wind DV at LS, RV, LI, and BI sites, with the largest biases occurring at LI and BI, resulting in underestimated daytime wind speed and/or overestimated nighttime wind speed. The OO winds exhibit minimal diurnal variation, accurately captured by our WRF model. The surface wind diurnal variation is closely linked to PBL development. Among the indicators of PBL development, surface potential temperature biases most strongly correlate with wind speed biases. Our WRF model faces challenges in capturing the distinctions between winds influenced by local circulations and those over continental plains, and the significantly stronger winds at OO compared to BI. Potential causes for these biases are discussed, offering pathways for improving surface wind simulations in future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Robust but weak winter atmospheric circulation response to future Arctic sea ice loss

The possibility that Arctic sea ice loss weakens mid-latitude westerlies, promoting more severe cold winters, has sparked more than a decade of scientific debate, with apparent support from observations but inconclusive modelling evidence. Here we show that sixteen models contributing to the Polar Amplification Model Intercomparison Project simulate a weakening of mid-latitude westerlies in response to projected Arctic sea ice loss. We develop an emergent constraint based on eddy feedback, which is 1.2 to 3 times too weak in the models, suggesting that the real-world weakening lies towards the higher end of the model simulations. Still, the modelled response to Arctic sea ice loss is weak: the North Atlantic Oscillation response is similar in magnitude and offsets the projected response to increased greenhouse gases, but would only account for around 10% of variations in individual years. We further find that relationships between Arctic sea ice and atmospheric circulation have weakened recently in observations and are no longer inconsistent with those in models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

On the predictability of turbulent fluxes from land: PLUMBER2 MIP experimental description and preliminary results

Accurate representation of the turbulent exchange of carbon, water, and heat between the land surface and the atmosphere is critical for modelling global energy, water, and carbon cycles in both future climate projections and weather forecasts. Evaluation of models' ability to do this is performed in a wide range of simulation environments, often without explicit consideration of the degree of observational constraint or uncertainty and typically without quantification of benchmark performance expectations. We describe a Model Intercomparison Project (MIP) that attempts to resolve these shortcomings, comparing the surface turbulent heat flux predictions of around 20 different land models provided with in situ meteorological forcing evaluated with measured surface fluxes using quality-controlled data from 170 eddy-covariance-based flux tower sites. Predictions from seven out-of-sample empirical models are used to quantify the information available to land models in their forcing data and so the potential for land model performance improvement. Sites with unusual behaviour, complicated processes, poor data quality, or uncommon flux magnitude are more difficult to predict for both mechanistic and empirical models, providing a means of fairer assessment of land model performance. When examining observational uncertainty, model performance does not appear to improve in low-turbulence periods or with energy-balance-corrected flux tower data, and indeed some results raise questions about whether the energy balance correction process itself is appropriate. In all cases the results are broadly consistent, with simple out-of-sample empirical models, including linear regression, comfortably outperforming mechanistic land models. In all but two cases, latent heat flux and net ecosystem exchange of CO 2 are better predicted by land models than sensible heat flux, despite it seeming to have fewer physical controlling processes. Land models that are implemented in Earth system models also appear to perform notably better than stand-alone ecosystem (including demographic) models, at least in terms of the fluxes examined here. The approach we outline enables isolation of the locations and conditions under which model developers can know that a land model can improve, allowing information pathways and discrete parameterisations in models to be identified and targeted for future model development.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Probing eddy size and its effective mixing length in stably stratified roughness sublayer flows

Stably stratified roughness sublayer flows are ubiquitous yet remain difficult to represent in models and to interpret using field experiments. Here, continuous high-frequency potential temperature profiles from the forest floor up to 6.5 times the canopy height observed with distributed temperature sensing (DTS) are used to link eddy topology to roughness sublayer stability correction functions and coupling between air layers within and above the canopy. The experiments are conducted at two forest stands classified as hydrodynamically sparse and dense. Near-continuous profiles of eddy sizes (length scales) and effective mixing lengths for heat are derived from the observed profiles using a novel conditional sampling approach. The approach utilizes potential temperature isoline fluctuations from a statically stable background state. The transport of potential temperature by an observed eddy is assumed to be conserved (adiabatic movement) and we assume that irreversible heat exchange between the eddy and the surrounding background occurs along the (vertical) periphery of the eddy. This assumption is analogous to Prandtl's mixing-length concept, where momentum is transported rapidly vertically and then equilibrated with the local mean velocity gradient. A distinct dependence of the derived length scales on background stratification, height above ground, and canopy characteristics emerges from the observed profiles. Implications of these findings for (1) the failure of Monin–Obukhov similarity in the roughness sublayer and (2) above-canopy flow coupling to the forest floor are examined. The findings have practical applications in terms of analysing similar DTS data sets with the proposed approach, modelling roughness sublayer flows, and interpreting nocturnal eddy covariance measurements above tall forested canopies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Hybrid Large Eddy Simulation/Reynolds-Averaged Navier–Stokes Analysis of a Premixed Ethylene-Fueled Dual-Mode Scramjet Combustor

Hydrocarbon fuels offer optimal high energy per volume for scramjet applications for sustained hypersonic flight but require additional residence time due to slower ignition delays (compared with hydrogen fuel). The injection of ethylene at the start of the isolator of a dual-mode scramjet combustor, operating in ramjet mode, allows sufficient mixing to achieve efficient premixed turbulent combustion. A cavity flameholder anchors the flame, supplying sufficient radicals to sustain a stable flame in the high-speed environment. This work investigates flame structure and stabilization limits of a new configuration with a scaled-down cavity embedded in the flow path of the combustor with a strut and insert. The cavity is reduced in size by one-third to enable eventual direct numerical simulations of the flame stabilization process. This work, however, focuses on modeling the full isolator/combustor geometry using a hybrid large eddy simulation/Reynolds-averaged Navier–Stokes simulation strategy. Additionally, particle image velocimetry, planar laser-induced fluorescence, coherent anti-Stokes Raman spectroscopy, and pressure measurements are compared with numerical predictions to analyze and characterize the conditions within the combustor, including flame structure, flow velocities, species composition, and wall pressure. An adjustable air throttle in the extender is able to control the placement of the shock train in the isolator and maintain a stable flame at various equivalence ratios. The simulations show reasonably good agreement with the experimental scalar and velocity data and predict a flame angle consistent with premixed turbulent flame-speed correlations.

42 ENGINEERING↗
DOE OSTI2021

Assimilating Scanning Radar Data into Cloud-Scale Models

The aim of this project is to improve the initial conditions of large eddy simulations (LES) of deep convective storms by assimilating scanning radar reflectivity and radial velocity data as well as local environmental observations. Accomplishing this goal often results in more accurate numerical forecasts of clouds and precipitation than if the background initial meteorological conditions are solely relied upon for convection initiation and intensification, as is typical of most operational and research models. Conducted in a storm-scale LES framework, these more accurate numerical analyses can serve as tool to better understand and parameterize land-atmosphere coupling, boundary layer turbulence, and cloud processes, each used for model parameterization development of convection. Our work examined the sensitivity of the numerical representation of cloud-scale wind and microphysical structures to: i) the assimilation of radiosonde observations characterizing the near-storm inflow, ii) the assimilation of radar data of varying resolution for model simulations with grid spacings of 1-km and 0.25-km, and iii) to the assimilation of three-dimensional plan-projection-indicator (PPI) and range-height indicator (RHI) radar volumes. Few studies have explored deep convective storm analyses and forecasts produced by assimilation of radar observations to cloud-scale LES. Furthermore, to our knowledge, no storm-scale DA study has explored the value of assimilating high-resolution sector RHI volumes to determine if they can improve the retrieval of the vertical kinematic and microphysical storm structure aloft over the use of traditionally utilized PPI scans.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Triple-Moment Representation of Ice in the Predicted Particle Properties (P3) Microphysics Scheme

In the original Predicted Particle Properties (P3) bulk microphysics scheme, all ice-phase hydrometeors are represented by one or more “free” ice categories, where the physical properties evolve smoothly through changes to the four prognostic variables (per category), and with a two-moment representation of the particle size distribution. As such, the spectral dispersion cannot evolve independently, which thus results in limitations in representation of ice—in particular, hail—due to necessary constraints in the scheme to prevent excessive gravitational size sorting. To overcome this, P3 has been modified to include a three-moment representation of the size distribution of each ice category through the addition of a fifth prognostic variable, the sixth moment of the size distribution. The details of the three-moment ice parameterization in P3 are provided. The behavior of the modified scheme, with the single-ice-category configuration, is illustrated through simulations in a simple 1D kinematic model framework as well as with near large-eddy-resolving (250-m grid spacing) 3D simulations of a hail-producing supercell. It is shown that the three-moment ice configuration controls size sorting in a physically based way and leads to an improved capacity to simulate large, heavily rimed ice (hail), including mean and maximum sizes and reflectivity, and thus an overall improvement in the representation of ice-phase particles in the P3 scheme.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Improving Stratocumulus Cloud Amounts in a 200‐m Resolution Multi‐Scale Modeling Framework Through Tuning of Its Interior Physics

Abstract High‐Resolution Multi‐scale Modeling Frameworks (HR)—global climate models that embed separate, convection‐resolving models with high enough resolution to resolve boundary layer eddies—have exciting potential for investigating low cloud feedback dynamics due to reduced parameterization and ability for multidecadal throughput on modern computing hardware. However low clouds in past HR have suffered a stubborn problem of over‐entrainment due to an uncontrolled source of mixing across the marine subtropical inversion manifesting as stratocumulus dim biases in present‐day climate, limiting their scientific utility. We report new results showing that this over‐entrainment can be partly offset by using hyperviscosity and cloud droplet sedimentation. Hyperviscosity damps small‐scale momentum fluctuations associated with the formulation of the momentum solver of the embedded large eddy simulation. By considering the sedimentation process adjacent to default one‐moment microphysics in HR, condensed phase particles can be removed from the entrainment zone, which further reduces entrainment efficiency. The result is an HR that can produce more low clouds with a higher liquid water path and a reduced stratocumulus dim bias. Associated improvements in the explicitly simulated sub‐cloud eddy spectrum are observed. We report these sensitivities in multi‐week tests and then explore their operational potential alongside microphysical retuning in decadal simulations at operational 1.5° exterior resolution. The result is a new HR having desired improvements in the baseline present‐day low cloud climatology, and a reduced global mean bias and root mean squared error of absorbed shortwave radiation. We suggest it should be promising for examining low cloud feedbacks with minimal approximation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Revisiting Interior Water Mass Responses to Surface Forcing Changes and the Subsequent Effects on Overturning in the Southern Ocean

Abstract Two coupled climate models, differing primarily in horizontal resolution and treatment of mesoscale eddies, were used to assess the impact of perturbations in wind stress and Antarctic ice sheet (AIS) melting on the Southern Ocean meridional overturning circulation (SO MOC), which plays an important role in global climate regulation. The largest impact is found in the SO MOC lower limb, associated with the formation of Antarctic Bottom Water (AABW), which in both models is enhanced by wind and weakened by AIS meltwater perturbations. Even though both models under the AIS melting perturbation show similar AABW transport reductions of 4–5 Sv (50%–60%), the volume deflation of AABW south of 30°S is four times greater in the higher resolution simulation (−20 vs. −5 Sv). Water mass transformation (WMT) analysis reveals that surface‐forced dense water formation on the Antarctic shelf is absent in the higher resolution and reduced by half in the lower resolution model in response to the increased AIS melting. However, the decline of the AABW volume (and its inter‐model difference) far exceeds the surface‐forced WMT changes alone, which indicates that the divergent model responses arise from interactions between changes in surface forcing and interior mixing processes. This model divergence demonstrates an important source of uncertainty in climate modeling, and indicates that accurate shelf processes together with scenarios accounting for AIS melting are necessary for robust projections of the deep ocean's response to anthropogenic forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Surface and subsurface oceanographic features drive forage fish distributions and aggregations: Implications for prey availability to top predators in the US Northeast Shelf ecosystem

Abstract Forage fishes are a critical food web link in marine ecosystems, aggregating in a hierarchical patch structure over multiple spatial and temporal scales. Surface‐level forage fish aggregations (FFAs) represent a concentrated source of prey available to surface‐ and shallow‐foraging marine predators. Existing survey and analysis methods are often imperfect for studying forage fishes at scales appropriate to foraging predators, making it difficult to quantify predator–prey interactions. In many cases, general distributions of forage fish species are known; however, these may not represent surface‐level prey availability to predators. Likewise, we lack an understanding of the oceanographic drivers of spatial patterns of prey aggregation and availability or forage fish community patterns. Specifically, we applied Bayesian joint species distribution models to bottom trawl survey data to assess species‐ and community‐level forage fish distribution patterns across the US Northeast Continental Shelf (NES) ecosystem. Aerial digital surveys gathered data on surface FFAs at two project sites within the NES, which we used in a spatially explicit hierarchical Bayesian model to estimate the abundance and size of surface FFAs. We used these models to examine the oceanographic drivers of forage fish distributions and aggregations. Our results suggest that, in the NES, regions of high community species richness are spatially consistent with regions of high surface FFA abundance. Bathymetric depth drove both patterns, while subsurface features, such as mixed layer depth, primarily influenced aggregation behavior and surface features, such as sea surface temperature, sub‐mesoscale eddies, and fronts influenced forage fish diversity. In combination, these models help quantify the availability of forage fishes to marine predators and represent a novel application of spatial models to aerial digital survey data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Design and analysis of a wake model for spatially heterogeneous flow

Abstract. Methods of turbine wake modeling are being developed to more accurately account for spatially variant atmospheric conditions within wind farms. Most current wake modeling utilities are designed to apply a uniform flow field to the entire domain of a wind farm. When this method is used, the accuracy of power prediction and wind farm controls can be compromised depending on the flow-field characteristics of a particular area. In an effort to improve strategies of wind farm wake modeling and power prediction, FLOw Redirection and Induction in Steady State (FLORIS) was developed to implement sophisticated methods of atmospheric characterization and power output calculation. In this paper, we describe an adapted FLORIS model that features spatial heterogeneity in flow-field characterization. This model approximates an observed flow field by interpolating from a set of atmospheric measurements that represent local weather conditions. The objective of this method is to capture heterogeneous atmospheric effects caused by site-specific terrain features, without explicitly modeling the geometry of the wind farm terrain. The implemented adaptations were validated by comparing the simulated power predictions generated from FLORIS to the actual recorded wind farm output from the supervisory control and data acquisition (SCADA) recordings and large eddy simulations (LESs). When comparing the performance of the proposed heterogeneous model to homogeneous FLORIS simulations, the results show a 14.6 % decrease for mean absolute error (MAE) in wind farm power output predictions for cases using wind farm SCADA data and a 18.9 % decrease in LES case studies. The results of these studies also indicate that the efficacy of the proposed modeling techniques may vary with differing site-specific operational conditions. This work quantifies the accuracy of wind plant power predictions under heterogeneous flow conditions and establishes best practices for atmospheric surveying for wake modeling.

17 WIND ENERGY↗
DOE OSTI2020

Assessment of Low-Altitude Atmospheric Turbulence Models for Aircraft Aeroelasticity

We investigate the dynamic aeroelastic response of large but slow aircraft in low-altitude atmospheric turbulence. To this end, three turbulence models of increasing fidelity, namely, the one-dimensional von Kármán model, the two-dimensional Kaimal model and full three-dimensional wind fields extracted from large-eddy simulations (LES) are used to simulate ambient turbulence near the ground. Load calculations and flight trajectory predictions are conducted for a representative high-aspect-ratio wing aircraft, using a fully coupled nonlinear flight dynamics/aeroelastic model, when it operates in background atmospheric turbulence generated by the aforementioned models. Comparison of load envelopes and spectral content, on vehicles of varying flexibility, shows strong dependency between the selected turbulence model and aircraft aeroelastic response (e.g. 58% difference in the predicted magnitude of the wing root bending moment between LES and von Kármán models). This is mainly due to the presence of large flow structures at low altitudes that have comparable dimensions to the vehicle, and which despite the relatively small wind speeds within the Earth boundary layer, result in overall high load events for slow-moving vehicles. Results show that one-dimensional models that do not capture those effects provide fairly non-conservative load estimates and are unsuitable for very flexible airframe design.

atmospheric turbulence↗
DOE OSTI2024

Improving the modeling of near-wall interphase heat transfer in porous media models of Pebble Bed Reactors

Here, this work aims to improve capabilities for modeling localized effects in porous media models of Pebble Bed Reactors. The wall-channeling effect is the primary local phenomenon of interest in a PBR, where the presence of the reflector wall disrupts the pebble packing, causing the pebbles near the wall to pack less efficiently and creating large void regions. Accurate modeling of the near-wall region is important as it will affect core bypass flow and temperature predictions. Porous media models are commonly used for design scoping and plant-level simulations of PBRs. Although these models have some capabilities to model the near-wall region, the correlations that are available in porous media codes are often inaccurate when a multi-region model is used to discretize the near-wall region. This work employs a high-to-low analysis to study the accuracy of available interphase heat transfer closures. NekRS, a spectral element computational fluid dynamics code, is used to perform Large Eddy Simulations. These LES simulation results are compared to porous media model results from the Pronghorn porous media code. The friction term of the KTA drag closure is first improved, reducing the error in the prediction of the near-wall velocity from over 50% to less than 5%. This is combined with improvements to the form term from previous works to produce a drag closure that is capable of accurately modeling the wall-channeling effect across a variety of flow conditions. The Nusselt number predictions of several heat transfer correlations are compared to the high-fidelity results where it is found that the KTA heat transfer correlation is capable of accurately predicting the local Nusselt numbers that were determined in the high-fidelity simulation. Comparison of the radial solid temperature profiles, however, reveal discrepancies between NekRS and Pronghorn. It is discovered that the implementation of the interphase heat transfer coefficient that exists in many current porous media codes is not valid when local porosities are modeled. Instead, it is suggested that the interphase heat transfer coefficient should be dependent on the local porosity, the Nusselt number, and the local solid surface-to-volume ratio. Implementation of this change produces improvement in the agreement between the results obtained by NekRS and Pronghorn while using the KTA heat transfer correlation.

interphase heat transfer↗
DOE OSTI2026

Data-based filtered dissipation rate modelling for multi-modal turbulent combustion: evaluating a priori model generalizability

Manifold-based models offer a computationally efficient alternative to directly transporting the thermochemical state in computational simulations of turbulent reacting flows, projecting the high-dimensional thermochemical state-space onto a low-dimensional manifold. Recent efforts have yielded a manifold-based model applicable to multi-modal combustion, enabling reconstruction of the thermochemical state from solutions to two-dimensional manifold equations in mixture fraction and generalized progress variable that are parameterised by three scalar dissipation rates. In coarse-grained simulations such as Large Eddy Simulation (LES), closure of the multi-modal manifold equations and subfilter variances/covariance requires closure of three filtered scalar dissipation rates. Here, the present work adopts a data-based approach, providing closure for the three filtered scalar dissipation rates via deep neural networks (DNNs). High-fidelity datasets corresponding to an autoigniting n-dodecane jet flame and a bluff body swirl-stabilized confined lifted spray flame of two aviation fuels (Jet-A and C1) with different ignition propensities are leveraged to generate training data that spans a diverse range of thermodynamic conditions and combustion modes, including low- and high-temperature ignition regimes in addition to premixed and nonpremixed behaviour. A final DNN model is trained to enforce inherent physical constraints by learning nonlinear functional transformations of the three filtered scalar dissipation rates. The generalizability of this constrained DNN model is demonstrated a priori via conditional statistics evaluated on the lifted spray flame with C1–a configuration that had not been included in the training data. Excellent DNN agreement with conditional DNS statistics is observed, and integrated gradients are computed to identify the most sensitive input variables. The similarity of the marginal PDFs of the most informative input variables and outputs across configurations are quantified via the Wasserstein metric, demonstrating that data-based models may successfully generalize to unseen parametric conditions so long as the most informative input variables share similar distributions across training and testing datasets.

Data-based modelling↗