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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Direct numerical simulation of a turbulent methane/air flame impinged by a sub-breakdown electric field

Here, the effects of an external electric field on a turbulent methane/air diffusion flame are analyzed in this work using direct numerical simulations. The analyzed configuration consists of a temporally evolving mixing layer of air and a mixture of methane and nitrogen at 1 atm that is impinged by an electric field in the direction normal to the mean mixing plane. The combustion and chemi-ionization reactions involved in the flow are modeled using finite-rate chemistry and a reduced reaction scheme consisting of 26 species and 134 reactions. The mass diffusion and ion-wind effects are modeled using a detailed description of the diffusion coefficients and electric mobilities based on kinetic theory. The presented calculations show that the turbulence generated within the mixing layer is mostly unaffected by the applied electric field for the configuration under exam. In fact, the electric body force is developed away from the mixing region where the flow is uniform. Conversely, the turbulence is able to introduce very high intermittency in the electrically charged species concentration and, consequently, in the electric body force. Such intermittency will constitute a challenge in the future formulation of combustion models that take into account ion-wind effects.

09 BIOMASS FUELS↗
DOE OSTI2023

Direct Numerical Simulation of Flame-Wall Interaction for Low-Carbon Gas Turbine Combustion

Green hydrogen (H2) and ammonia (NH3) are emerging as carbon free alternatives to hydrocarbon fuels. In gas turbines, flames interact with the combustor liner (wall), which affects the pollutant emissions, the burning efficiency, and the thermal load on the liner. We lack understanding of this important flame-wall interaction (FWI) for alternative fuels. FWI occurs at the scale of the flame thickness, and such scales are only resolved by direct numerical simulation. Here, we resolve the FWI for NH3 and H2 flames. Preliminary results of two distinct projects are presented: 2D laminar anchored V-flame, and 3D turbulent swirling flame. For the laminar flame, we show flame quenching at the wall and resulting leakage of NH3 and increased N2O, but decreased NO emissions. For the swirling flame, we show CO emissions, and comparison of flame shapes and location to experimental measurements. Ultimately we show that quenching and pollutant emissions strongly affected by fuel/air ratio, and that an inclined wall can stabilize very lean turbulent CH4/H2 flames, but prone to large CO emissions.

adaptive mesh refinement↗
DOE OSTI2024

Direct numerical simulation of open-channel flow over a heterogeneous particle bed at low relative submergence

In this article, this study investigates turbulent open-channel flows over beds of irregularly arranged particles, using direct numerical simulations at a friction Reynolds number of Re T = 300⁠. Two distinct cases are examined: a polydisperse bed (P800) composed of multiple layers of randomly distributed spheres of varying sizes, and a monodisperse bed (M1015) formed by a random distribution of uniform sized spheres, with a bottommost single layer of varied-sized particles to introduce realistic randomness. Our investigation unveils a rich network of low- and high-speed streaks within the flow field, exhibiting distinctive behaviors in different bed configurations. The P800 case presents a poorly organized flow pattern induced by the varied particle sizes and arrangements, while the M1015 case shows a more regular flow pattern, marked by larger streaks. We also observe that total wall shear stress is substantially influenced by surface roughness-induced drag, extending beyond the effects documented in existing studies of open-channel flows. The present study reveals intricate secondary flow patterns over irregular particle beds. Large-scale circulations are discerned around particle crests in the P800 case and localized circulations with increased turbulence in the M1015 case. Furthermore, analysis of Reynolds stress tensor components indicates that roughness disrupts coherent turbulent eddies, consequently mitigating peak stress. We quantify correlations between drag force and local fluid velocity fluctuations. Notably, a larger deviation in drag is observed in the P800 case compared to M1015, accentuating the influence of particle size and distribution on fluid–particle interactions.

42 ENGINEERING↗
DOE OSTI2023

Direct Numerical Simulation of Partial Fuel Stratification Assisted Lean Premixed Combustion for Assessment of Hybrid G-Equation/Well-Stirred Reactor Model

Partial fuel stratification (PFS) is a promising fuel injection strategy to stabilize lean premixed combustion in spark-ignition (SI) engines. PFS creates a locally stratified mixture by injecting a fraction of the fuel, just before spark timing, into the engine cylinder containing homogeneous lean fuel/air mixture. Further, this locally stratified mixture, when ignited, results in complex flame structure and propagation modes similar to partially premixed flames and allows for faster and more stable flame propagation than a homogeneous lean mixture. This study focuses on understanding the detailed flame structures associated with PFS-assisted lean premixed combustion. First, a two-dimensional direct numerical simulation (DNS) is performed using detailed fuel chemistry, experimental pressure trace, and realistic initial conditions mapped from a prior engine large-eddy simulation (LES), replicating practical lean SI operating conditions. DNS results suggest that the conventional triple flame structure is prevalent during the initial stage of flame kernel growth. Both premixed and nonpremixed combustion modes are present with the premixed mode contributing dominantly to the total heat release. Detailed analysis further reveals the effects of flame stretch and fuel pyrolysis on flame displacement speed. Based on the DNS findings, the accuracy of a hybrid G-equation/well-stirred reactor (WSR) combustion model is assessed for the PFS-assisted lean operation in the LES context. It is found that the G-equation model qualitatively captures the premixed branches of the triple flame, while the WSR model predicts the nonpremixed branch of the triple flame. Finally, potential needs for improvements to the hybrid G-equation/WSR modeling approach are discussed.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Direct numerical simulations of turbulent premixed cool flames: Global and local flame dynamics analysis

The cool flame dynamics, especially in turbulent flows, is of great interest for both practical application and fundamental research. Here, in this study, a series of direct numerical simulations of turbulent premixed n-C 7 H 16 /O 2 /O 3 /N 2 cool flames are performed, with the focus on the influence of turbulence intensity (u'/S L , where S L is the laminar flame speed) on the flame structure as well as the global and local cool flame dynamics. It is found that the cool flame front is considerably wrinkled by turbulence at high u'/S L , leading to significantly thickened turbulent cool flame brush and largely altered local reactivity compared with the reference laminar flame. However, the turbulent flame structure in the temperature space is found to be insensitive to u'/S L . Besides, with increasing u'/S L , the normalized turbulent cool flame speed (S L /S L ) is monotonically increased, attributed to substantial augmentation on the flame surface area (A T /A L ), while the stretching factor (I 0 ) remains almost constant and is smaller than 1. The underlying mechanisms for such variations are revealed through local flame dynamics analysis. Specifically, the local flame displacement speed S d is found to be strongly negatively correlated with flame curvature; meanwhile, such negative correlation and the probability distribution function (PDF) of flame curvature are barely influenced by u'/S L , leading to a weak dependence of I 0 on u'/S L . In contrast, the PDF of the tangential strain rate is found to span a much wider range and shift to the positive side as u'/S L increases, suggesting that the enhanced tangential strain rate is the main cause for the increase in surface area of the turbulent premixed cool flame. Finally, the influence of equivalence ratio on above findings is found to be insignificant, indicating that although the local reactivity of turbulent premixed cool flames is altered due to the differential diffusion, the resultant flame- stretch interaction is insensitive to the equivalence ratio. This study presents some unique cool flame dynamics that are distinct from hot flames, which can help improve the understanding and modeling of turbulent cool flames.

Cool flames↗
DOE OSTI2022

Less can be more: Insights on the role of electrode microstructure in redox flow batteries from two-dimensional direct numerical simulations

Understanding how to structure a porous electrode to facilitate fluid, mass, and charge transport is key to enhancing the performance of electrochemical devices, such as fuel cells, electrolyzers, and redox flow batteries (RFBs). Here, using a parallel computational framework, direct numerical simulations are carried out on idealized porous electrode microstructures for RFBs. Strategies to improve an electrode design starting from a regular lattice are explored. By introducing vacancies in the ordered arrangement, it is possible to achieve higher voltage efficiency at a given current density, thanks to improved mixing of reactive species, despite reducing the total reactive surface. Careful engineering of the location of vacancies, resulting in a density gradient, outperforms disordered configurations. Our simulation framework is a new tool to explore transport phenomena in RFBs, and our findings suggest new ways to design performant electrodes.

25 ENERGY STORAGE↗
DOE OSTI2022

Reynolds number dependence of Lagrangian dispersion in direct numerical simulations of anisotropic magnetohydrodynamic turbulence

Large-scale magnetic fields thread through the electrically conducting matter of the interplanetary and interstellar medium, stellar interiors and other astrophysical plasmas, producing anisotropic flows with regions of high-Reynolds-number turbulence. It is common to encounter turbulent flows structured by a magnetic field with a strength approximately equal to the root-mean-square magnetic fluctuations. In this work, direct numerical simulations of anisotropic magnetohydrodynamic (MHD) turbulence influenced by such a magnetic field are conducted for a series of cases that have identical resolution, and increasing grid sizes up to $2048^3$ . The result is a series of closely comparable simulations at Reynolds numbers ranging from 1400 up to 21 000. We investigate the influence of the Reynolds number from the Lagrangian viewpoint by tracking fluid particles and calculating single-particle and two-particle statistics. The influence of Alfvénic fluctuations and the fundamental anisotropy on the MHD turbulence in these statistics is discussed. Single-particle diffusion curves exhibit mildly superdiffusive behaviours that differ in the direction aligned with the magnetic field and the direction perpendicular to it. Competing alignment processes affect the dispersion of particle pairs, in particular at the beginning of the inertial subrange of time scales. Scalings for relative dispersion, which become clearer in the inertial subrange for a larger Reynolds number, can be observed that are steeper than indicated by the Richardson prediction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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 OSTI2022

Supersaturation Variability from Scalar Mixing: Evaluation of a New Subgrid-Scale Model Using Direct Numerical Simulations of Turbulent Rayleigh–Bénard Convection

We report that supersaturation fluctuations in the atmosphere are critical for cloud processes. A nonlinear dependence on two scalars - water vapor and temperature - leads to different behavior than single scalars in turbulent convection. For modeling such multiscalar processes at subgrid scales (SGS) in large-eddy simulations (LES) or convection-permitting models, a new SGS scheme is implemented in CM1 that solves equations for SGS water vapor and temperature fluctuations and their covariance. The SGS model is evaluated using benchmark direct-numerical simulations (DNS) of turbulent Rayleigh–Bénard convection with water vapor as in the Michigan Tech Pi Cloud Chamber. This idealized setup allows thorough evaluation of the SGS model without complications from other atmospheric processes. DNS results compare favorably with measurements from the chamber. Results from LES using the new SGS model compare well with DNS, including profiles of water vapor and temperature variances, their covariance, and supersaturation variance. SGS supersaturation fluctuations scale appropriately with changes to the LES grid spacing, with the magnitude of SGS fluctuations decreasing relative to those at the resolved scale as the grid spacing is decreased. Sensitivities of covariance and supersaturation statistics to changes in water vapor flux relative to thermal flux are also investigated by modifying the sidewall conditions. Relative changes in water vapor flux substantially decrease the covariance and increase supersaturation fluctuations even away from boundaries.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A direct numerical simulation study of the dilution tolerance of propane combustion under spark-ignition engine conditions

Modern spark ignition internal combustion (IC) engines rely on highly diluted fuel-air mixtures to achieve high brake thermal efficiencies. To support this, new engine designs have introduced high stroke-to-bore ratios and cylinder head designs that promote high tumble flow and turbulence intensities. However, mixture dilution through exhaust gas recirculation (EGR) is limited by combustion instabilities manifested in the form of cycle-to-cycle variability. Propane has been observed to have superior EGR dilution tolerance than gasoline, which makes it a very competitive low-carbon fuel for the new IC engines without sacrificing efficiency. Two-dimensional direct numerical simulations (DNS) are performed with detailed chemistry to study and contrast the effect of turbulence intensity and dilution on propane and iso-octane premixed flames at high pressure conditions similar to those in-cylinder. A new reduced mechanism for propane consisting of 53 transported species and 17 quasi-steady state species is developed based on a previously published mechanism and used in these simulations. Three levels of turbulence intensity and two levels of exhaust gas dilution are chosen based on conditions relevant to IC engine operation. The DNS results are analyzed based on the evolution of the flame surface area and the statistics of its driving terms, which are found to be similar for both fuels when there is no dilution but considerably different under high dilution. The analysis of the DNS data provides fundamental insights into the underlying mechanisms for improved stability under dilution.

42 ENGINEERING↗
DOE OSTI2023

Direct Numerical Simulation of Transitional and Turbulent Flows Over Multi-Scale Surface Roughness—Part II: The Effect of Roughness on the Performance of a High-Pressure Turbine Blade

Abstract Turbine blades generally present surface roughness introduced in the manufacturing process or caused by in-service degradation, which can have a significant impact on aero-thermal performance. A better understanding of the fundamental physical mechanisms arising from the interaction between the roughness and the turbine flow at engine-relevant conditions can provide insights for the design of blades with improved efficiency and longer operational life. To this end, a high-fidelity numerical framework combining a well-validated solver for direct numerical simulation and a second-order accurate immersed boundary method is employed to predict roughness-induced aero-thermal effects on an LS89 high-pressure turbine (HPT) blade at engine-relevant conditions. Different amplitudes and distributions of surface roughness are investigated and a reference smooth-blade simulation under the same flow conditions is conducted for comparison. Roughness of increasing amplitude progressively shifts the blade suction side boundary layer transition upstream, producing larger values of the turbulent kinetic energy and higher total wake losses. The on-surface data-capturing capabilities of the numerical framework provide direct measurements of the heat flux and the skin friction coefficient, hence offering quantitative information between the surface topology and engineering-relevant performance parameters. This work may provide a benchmark for future numerical studies of turbomachinery flows with roughness.

Engineering↗
DOE OSTI2023

Direct Numerical Simulation of Transitional and Turbulent Flows Over Multi-Scale Surface Roughness—Part I: Methodology and Challenges

Abstract High-fidelity simulation of transitional and turbulent flows over multi-scale surface roughness presents several challenges. For instance, the complex and irregular geometrical nature of surface roughness makes it impractical to employ conforming structured grids, commonly adopted in large-scale numerical simulations due to their high computational efficiency. One possible solution to overcome this problem is offered by immersed boundary methods, which allow wall boundary conditions to be enforced on grids that do not conform to the geometry of the solid boundary. To this end, a three-dimensional, second-order accurate boundary data immersion method (BDIM) is adopted. A novel mapping algorithm that can be applied to general three-dimensional surfaces is presented, together with a newly developed data-capturing methodology to extract and analyze on-surface flow quantities of interest. A rigorous procedure to compute gradient quantities such as the wall shear stress and the heat flux on complex non-conforming geometries is also introduced. The new framework is validated by performing a direct numerical simulation (DNS) of fully developed turbulent channel flow over sinusoidal egg-carton roughness in a minimal-span domain. For this canonical case, the averaged streamwise velocity profiles are compared against results from the literature obtained with a body-fitted grid. General guidelines on the BDIM resolution requirements for multi-scale roughness simulation are given. Momentum and energy balance methods are used to validate the calculation of the overall skin friction and heat transfer at the wall. The BDIM is then employed to investigate the effect of irregular homogeneous surface roughness on the performance of an LS-89 high-pressure turbine blade at engine-relevant conditions using DNS. This is the first application of the BDIM to realize multi-scale roughness for transitional flow in transonic conditions in the context of high-pressure turbines. The methodology adopted to generate the desired roughness distribution and to apply it to the reference blade geometry is introduced. The results are compared to the case of an equivalent smooth blade.

Engineering↗
DOE OSTI2022

Onset of instabilities in rotating flows by direct numerical simulation

A rotating disk is the canonical experiment for measuring surface reaction rates in geochemical and electrochemical systems. Using the similarity solution for laminar flow around an infinite disk, the mass transfer coefficient can be simply related to the intrinsic reaction rate at the surface. However, measurements of mass transfer rates use a finite-size disk within a larger container of solution; here the flow is no longer strictly laminar, but there must always be some recirculation. Our interest was initially in the assumption of a uniform radial concentration field, how this breaks down near the perimeter of the disk, and what effect that might have on the measured mass transfer rates. However, our numerical simulations suggest that the flow around a finite-size disk becomes time dependent at Reynolds number ($\textit{Re}$) below 1000, which is much smaller than the typical values in mass-transfer measurements ($\textit{Re}$~10 4 ). In this work, we observe the formation of coherent structures in the flow, which suggest a non-uniform mass transfer at the disk surface. The rotating-disk flow follows a similar sequence of instabilities to the Taylor–Couette flow: a centrifugal instability leading an axisymmetric, time-invariant flow, followed by a Hopf bifurcation to a time-periodic flow. To minimise the possibility that our results are a numerical artefact, we have also simulated the instability in the stationary boundary layer of a rotor–stator flow, comparing with self-similar solutions at low $\textit{Re}$ and with spectral methods near the critical Reynolds number.

42 ENGINEERING↗