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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Implementation of Manifold-Based Combustion Models in a Highly Scalable Low Mach Number Reacting Flow Solver: Preprint

Manifold-based representations of the thermochemistry are often employed in conjunction with large eddy eimulation (LES) to lower the cost of combustion simulations. This work describes steps taken to implement this modeling approach in PeleLM, a scalable and performance-portable low Mach number flow solver. Most significantly, this includes adapting the projection method used by PeleLM to satisfy the mass conservation constraint for use with manifold-based models. The implementation is designed to be general across manifold-based models, including both those that employ traditional tabulation and those that employ neural networks. An initial demonstration for simple test cases is presented and will be used for performance assessment.

high-performance computing↗
DOE OSTI2024

Large-Eddy Simulation Study of Flow and Combustion Dynamics in a Full-Scale Hydrogen–Air Rotating Detonation Combustor-Stator Integrated System

In the present work, a first-of-its-kind three-dimensional (3D) large-eddy simulation (LES) study is conducted to numerically investigate the combustion dynamics as well as aero-thermal phenomena in a full-scale nonpremixed hydrogen–air rotating detonation engine (RDE) (with a diverging-shaped lower-end wall), when integrated with nozzle guide vanes (NGV) acting as the turbine stator. The wall-modeled LES framework incorporates hydrogen–air detailed chemical kinetics and adaptive mesh refinement (AMR). A comparative analysis is carried out for two operating conditions with different fuel/air mass flow rates but global equivalence ratio of unity, and considering RDE configurations without and with stator. The LES model is validated against available experimental data for the low mass flux condition with respect to detonation wave speed/height, wave dynamics, and axial static pressure distribution. Numerical results indicate significant deflagrative combustion occurring in the fill region near the inner wall due to formation of recirculation zones in the injection near-field driven by the backward facing step. The leading detonation wave is found to be trailed by an azimuthal reflected-shock combustion (ARSC) wave, consistent with experimental observations, which consumes unburned vitiated reactants that leak through the main detonation wave. The main detonation wave characteristics, such as detonation wave speed/height and combustion efficiency, do not change appreciably with the presence of NGV. A novel combustion diagnostic technique based on chemical explosive mode analysis (CEMA) is employed to quantify the fraction of heat release occurring in the detonative mode versus deflagrative mode for the simulated conditions. The exit flow is found to be nearly fully subsonic and supersonic for the low and high mass flux conditions, respectively. Further analysis of the exit flow profiles shows that the presence of NGV renders the flow more axial and significantly impacts the exit Mach number and total pressure, while the total temperature shows negligible change. In addition, the low mass flux operating point, despite exhibiting more deflagrative losses within the combustor, yields overall lower pressure drop from plenum to exhaust, which is mainly attributed to lower pressure drop across the injectors. Lastly, the rotating detonation engine-nozzle guide vanes (RDE-NGV) configuration exhibits higher total pressure loss compared to rotating detonation engine (RDE) without stator across both the mass flux conditions. In conclusion, this study extends the state-of-the-art in numerical modeling of pressure gain combustion (PGC) systems by demonstrating high-fidelity 3D reacting LES of full-scale RDE-NGV systems relevant to RDE-turbine integration for stationary power generation.

Combustion↗
DOE OSTI2020

A priori analysis of a power-law sub-filter scale mixing model for transported PDF modeling of high Karlovitz turbulent premixed flames

Accurate modeling of mixing in large-eddy simulation (LES) / transported probability density function (PDF) modeling of turbulent combustion remains an outstanding issue. The issue is particularly salient in turbulent premixed combustion under extreme conditions such as high-Karlovitz number Ka. Here, the present study addresses this issue by conducting an a priori analysis of a power-law scaling based mixing timescale model for the transported PDF model. A recently produced DNS dataset of a high-Ka turbulent jet flame is used for the analysis. A power-law scaling is observed for a scaling factor used to model the sub-filter scale mixing timescale in this high-Ka turbulent premixed DNS flame when the LES filter size is much greater than the characteristic thermal thickness of a laminar premixed flame. The sensitivity of the observed power-law scaling to the different viewpoints (local or global) and to the different scalars for the data analysis is examined and the dependence of the model parameters on the dimensionless numbers Ka and Re (the Reynolds number) is investigated. Different model formulations for the mixing timescale are then constructed and assessed in the DNS flame. The proposed model is found to be able to reproduce the mixing timescale informed by the high-Ka DNS flame significantly better than a previous model.

42 ENGINEERING↗
DOE OSTI2020

Front propagation formulation for large eddy simulation of turbulent premixed flames

The front propagation formulation (FPF) for large eddy simulation (LES) of turbulent premixed flames is presented and discussed. The FPF method adopts a regularized Dirac delta function to minimize the spurious propagation of under-resolved filtered flame fronts in LES, while reproducing the reaction characteristics of premixed flame fronts. Here, the extension of the FPF method to LES and the relation to existing sub-filter combustion models are discussed. An algebraic model for the regularized Dirac delta function is presented and validated using direct numerical simulation (DNS) data for statistically planar premixed flames propagating in homogeneous isotropic turbulence. A posteriori validation for a filtered 1-D planar laminar flame is performed to demonstrate the characteristics of FPF in reproducing the propagation speed and the thickness of the under-resolved flame front. LES of a turbulent Bunsen flame is also performed to demonstrate the performance of the proposed method.

42 ENGINEERING↗
DOE OSTI2023

Evaluation of Spray and Combustion Models for Simulating Dilute Combustion in a Direct-Injection Spark-Ignition Engine

Dilute combustion in spark-ignition engines has the potential to improve thermal efficiency by mitigating knock and by reducing throttling and wall heat losses. However, ignition and combustion processes can become unstable for dilute operation due to a lowered laminar flame speed, resulting in excessive cycle-to-cycle variability (CCV) of the combustion process. To compensate for the slower combustion in less reactive mixtures, a modified intake port geometry can be employed to generate a strong tumble flow in the cylinder and elevate turbulence levels around the spark plug, thereby promoting a faster transition to turbulent deflagration. Consequently, optimizing combustion chamber geometry and operating strategy is crucial to maximizing the benefits of using dilute combustion with enhanced in-cylinder turbulence across a wide range of operating conditions. Computational fluid dynamics (CFD) simulations can be utilized for virtual engine optimization tasks, but this would require the models to be truly predictive regarding the impact of changes to the engine design and operational parameters.In this study, multicycle large-eddy simulations (LES) are performed for a direct-injection spark-ignition engine to investigate the model performance in predicting engine combustion characteristics with respect to changes in the intake configuration. A tumble plate that blocks the lower part of the intake port inlet is used to vary the tumble. A set of CFD models that have been recently developed are employed, which takes into account the drag of nonspherical droplets, flash-boiling behavior of liquid sprays, spray-wall interaction, surrogate formulation of a research-grade E10 gasoline, and fast chemical kinetic solvers. Simulation results are compared to experimental engine data in terms of cylinder pressure, apparent heat release rate, mass fraction burned timing, and flame images. It is found that LES employing the state-of-the-art CFD models are capable of properly predicting the spray processes and reproducing the measured mean cylinder pressure for the case with the tumble plate. On the other hand, the LES over-predicts the combustion rate during the early combustion stage and under-estimates the CCV, and these discrepancies become larger when the tumble plate is removed.

computational fluid dynamics simulation↗
DOE OSTI2021

Numerical analysis of particle dispersion and deposition in coal combustion using large-eddy simulation

High-fidelity modeling provides a useful approach to investigate the particle dispersion and deposition mechanism in pulverized coal combustion. To be able to analyze these detailed mechanisms, this work couples detailed multiphysics models for poly-dispersed turbulent, particle-laden flow, particle and gas phase reaction chemistry, convective, conductive and radiative heat transfer, ash formation and deposition with a Large-Eddy Simulation (LES) approach to numerically simulate coal combustion in a downfired self-sustained oxy-fuel combustor (OFC). It is necessary to explicitly capture all but the highest frequency dynamics of the turbulence and its coupling with each of the other physical phenomena using LES. Effects of subgrid-scale unresolved turbulence on the particle motions are also analyzed by a novel Stokes number analysis. Due to the inherent relation ship between coal combustion and ash deposition, this study integrates the improved ash deposition model into the numerical simulation. Overall simulation results are compared with experimentally measured data from the OFC. The simulation and measured data for the averaged gas temperature and deposition rates agree with 5% and 28%. This study shows that high-fidelity LES coupled with other detailed multiphysics models running on a exascale computing facility can provide a good representation of complex coal combustion and deposition in a laboratory-scale furnace.

multiphysics model↗
DOE OSTI2024

Validation Assessment of Turbulent Reacting Flow Model Using The Area-Validation Metric on Medium-Scale Methanol Pool Fire Results

Accident analysis and ensuring power plant safety are pivotal in the nuclear energy sector. Significant strides have been achieved over the past few decades regarding fire protection and safety, primarily centered on design and regulatory compliance. Yet, after the Fukushima accident a decade ago, the imperative to enhance measures against fire, internal flooding, and power loss has intensified. Hence, a comprehensive, multilayered protection strategy against severe accidents is needed. Consequently, gaining a deeper insight into pool fires and their behavior through extensive validated data can greatly aid in improving these measures using advanced validation techniques. A model validation study was performed at Sandia National Laboratories in which a 30-cm diameter methanol pool fire was modeled using the SIERRA/Fuego turbulent reacting flow code. This validation study used a standard validation experiment to compare model results against, and conclusions have been published. The fire was modeled with a Large Eddy Simulation (LES) turbulence model with subgrid turbulent kinetic energy closure. Combustion was modeled using a strained laminar flamelet library approach. Radiative heat transfer was accounted for with a model utilizing the gray-gas approximation. In the present study, additional validation analysis is performed using the area validation metric (AVM). These activities are done on multiple datasets involving different variables and temporal/spatial ranges and intervals. In conclusion, the results provide insight into the use of the area validation metric on such temporally varying datasets and the importance of physics-aware use of the metric for proper analysis.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS2003

Subgrid Combustion Modeling for the Next Generation National Combustion Code

In the first year of this research, a subgrid turbulent mixing and combustion methodology developed earlier at Georgia Tech has been provided to researchers at NASA/GRC for incorporation into the next generation National Combustion Code (called NCCLES hereafter). A key feature of this approach is that scalar mixing and combustion processes are simulated within the LES grid using a stochastic 1D model. The subgrid simulation approach recovers locally molecular diffusion and reaction kinetics exactly without requiring closure and thus, provides an attractive feature to simulate complex, highly turbulent reacting flows of interest. Data acquisition algorithms and statistical analysis strategies and routines to analyze NCCLES results have also been provided to NASA/GRC. The overall goal of this research is to systematically develop and implement LES capability into the current NCC. For this purpose, issues regarding initialization and running LES are also addressed in the collaborative effort. In parallel to this technology transfer effort (that is continuously on going), research has also been underway at Georgia Tech to enhance the LES capability to tackle more complex flows. In particular, subgrid scalar mixing and combustion method has been evaluated in three distinctly different flow field in order to demonstrate its generality: (a) Flame-Turbulence Interactions using premixed combustion, (b) Spatially evolving supersonic mixing layers, and (c) Temporal single and two-phase mixing layers. The configurations chosen are such that they can be implemented in NCCLES and used to evaluate the ability of the new code. Future development and validation will be in spray combustion in gas turbine engine and supersonic scalar mixing.

Menon, Suresh↗
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↗
NASA NTRS1994

Studying Turbulence Using Numerical Simulation Databases. 5: Proceedings of the 1994 Summer Program

Direct numerical simulation databases were used to study turbulence physics and modeling issues at the fifth Summer Program of the Center for Turbulence Research. The largest group, comprising more than half of the participants, was the Turbulent Reacting Flows and Combustion group. The remaining participants were in three groups: Fundamentals, Modeling & LES, and Rotating Turbulence. For the first time in the CTR Summer Programs, participants included engineers from the U.S. aerospace industry. They were exposed to a variety of problems involving turbulence, and were able to incorporate the models developed at CTR in their company codes. They were exposed to new ideas on turbulence prediction, methods which already appear to have had an impact on their capabilities at their laboratories. Such interactions among the practitioners in the government, academia, and industry are the most meaningful way of transferring technology.

Source record↗
DOE OSTI2021

Machine-Learned Manifold-Based Models for Large Eddy Simulation of Turbulent Combustion

Reduced-order manifold combustion models are commonly used to lower the cost of reacting Large Eddy Simulations (LES) and may be derived either from physical principles as in flamelet models or from data-driven methods like Principal Component Analysis (PCA). In either case, neural networks are increasingly used as part of these models to provide a nonlinear mapping between a small set of pre-defined variables that parameterize the manifold and outputs of interest, such as reaction rates. In this work, we propose a new manifold-based modeling approach that combines the definition of the manifold-parameterizing variables (linear combinations of species), the nonlinear mapping to the outputs, and closure of filtered quantities for LES into the structure of a single neural network. This allows the process used to train the neural network to simultaneously optimize both the functional form of the model and the identities of the inputs to the model. The new approach can flexibly incorporate thermochemical data from any combustion system; if trained on data from 1D flames it can be interpreted as an optimized flamelet model, but it can also be used to learn models from data from more complex configurations. This work presents a priori evaluations of the new approach in both contexts. Evaluation using data from 1D premixed flames demonstrates the physical interpretability of the manifold variables generated by the new approach. Evaluation using data from direct numerical simulations of turbulent flames shows improved predictions relative to either flamelet or PCA-based models in a more complex configuration.

47 OTHER INSTRUMENTATION↗
NASA NTRS2017

Model Validation for Propulsion - On the TFNS and LES Subgrid Models for a Bluff Body Stabilized Flame

This paper summarizes the reacting results of simulating a bluff body stabilized flame experiment of Volvo Validation Rig using a releasable edition of the National Combustion Code (NCC). The turbulence models selected to investigate the configuration are the sub-grid scaled kinetic energy coupled large eddy simulation (K-LES) and the time-filtered Navier-Stokes (TFNS) simulation. The turbulence chemistry interaction used is linear eddy mixing (LEM).

Flame↗
NASA NTRS1997

Turbulent Premixed Flame Propagation in Microgravity

A facility in which turbulent Couette flow could be generated in a microgravity environment was designed and built. To fit into the NASA Lewis drop tower the device had to be very compact. This means that edge effects and flow re-circulation were expected to affect the flow. The flow was thoroughly investigated using LDV and was found to be largely two dimensional away from the edges with constant turbulence intensities in the core. Slight flow asymmetries are introduced by the non symmetric re-circulation of the fluid outside the test region. Belt flutter problems were remedied by adding a pair of guide plates to the belt. In general, the flow field was found to be quite similar to previously investigated Couette flows. However, turbulence levels and associated shear stresses were higher. This is probably due to the confined re-circulation zone reintroducing turbulence into the test section. An estimate of the length scales in the flow showed that the measurements were able to resolve nearly all the length scales of interest. Using a new LES method for subgrid combustion it has been demonstrated that the new procedure is computational feasible even on workstation type environment. It is found that this model is capable of capturing the propagation of the premixed names by resolving the flame in the LES grid within 2-3 grid points. In contrast, conventional LES results in numerical smearing of the flame and completely inaccurate estimate of the turbulent propagation speed. Preliminary study suggests that there is observable effect of buoyancy in the 1g environment suggesting the need for microgravity experiments of the upcoming experimental combustion studies. With the cold flow properties characterized, an identical hot flow facility is under construction. It is assumed that the turbulence properties ahead of the flame in this new device will closely match the results obtained here. This is required since the hot facility will not enable LDV measurements. The reacting flow facility is also being constructed with planned drop tower experiments in mind. Therefore, issues related to safety and structural integrity are being take into account. Further development of the numerical model will also be carried out to include finite-rate kinetics for representative premixed cases. More detail analysis of the flame structure and propagation nature will be investigated. Simulations will also be compared to the flame properties observed in the experiments.

Menon, S.↗
DOE OSTI2026

Effect of soot concentration on radiative transport in a 2 m JP-8 pool fire

Hubbard et al. (2024) investigated conjugate heat transfer in a 7.9 m JP-8 pool fire, utilizing both heavily sooting and non-sooting fuel models. Their findings indicated that all models produced pool radiative heat fluxes within the measurement uncertainty for large-scale outdoor experiments. This study aims to further investigate the influence of soot concentration on radiative transport. To this end, Large Eddy Simulations (LES) of a 2 m diameter JP-8 pool fire were conducted, employing four turbulent combustion chemistry models: the Eddy Dissipation Concept (EDC) and three variants of flamelet model. Additionally, three variations of the one-equation subgrid scale turbulence kinetic energy model, and multiple mesh resolutions were utilized. The primary validation metrics were pool radiative heat flux and plume radiative fraction, with simulation data compared to experimental results published by Blanchat et al. (2010). The EDC model produced high soot concentrations near the pool surface, resulting in a significant shielding effect. In contrast, the flamelet combustion model has different kinetic limiters for soot production, leading to soot formation higher in the flame, where it can be more readily oxidized. Flamelet models incorporating both acetylene and benzene contributions to soot growth demonstrated better agreement with experimental data. To assess the sensitivity of pool radiative heat flux to soot mass concentration, we used a one-dimensional approximation over a wide range of soot concentrations and compared it to three-dimensional solutions obtained using Discrete Ordinates. Furthermore, this analysis illustrates the impacts of soot shielding and Turbulence Radiation Interactions (TRI), with TRI emission enhancement factors predicted to be in the range of 3–5 near the edges of the plume.

Computational fluid dynamics↗
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↗
DOE OSTI2022

An Investigation into the Effects of Swirl on the Performance and Emissions of an Opposed-Piston Two-Stroke Engine using Large Eddy Simulations

Opposed-piston two-stroke (OP-2S) engines have the potential to achieve higher thermal efficiency than a conventional four-stroke diesel engine. However, the uniflow scavenging process is difficult to control over a wider range of speed and loads due to its sensitivity to pressure dynamics, port timings, and port design. Specifically, the angle of the intake ports can be used to generate swirl which has implications for open and closed cycle effects. This study proposes an analysis of the effects of port angle on the in-cylinder flow distribution and combustion performance of an OP-2S using computational fluid dynamics engine. Large Eddy Simulation (LES) was used to model turbulence given its ability to predict in-cylinder mixing and cyclic variability. A three-cylinder model was validated to experimental data collected by Achates Power and the grid was verified using an LES quality approach from the literature. The model was used to simulate port angles from 12 to 29 degrees at constant pressure and temperature boundary conditions. Results indicated that the higher bulk swirl ratio generated by larger port angles tends to trap more internal residuals. This effect on the scavenging performance, combined with the larger trapped swirl ratio, also has a significant impact on the combustion performance in a two-stroke engine. It was concluded that there exists a tradeoff of efficiency and emissions that must be considered when increasing the port angle in a uniflow two-stroke engine. 1. Introduction Two-stroke engines were developed in the 1800s and are commonly used in practice today for lightweight power applications such as motorcycles or handheld power tools, as well as large-bore low speed engines for stationary power and marine applications. Two-stroke engines provide the distinct advantage of higher torque/power output but present challenges due to its coupled intake and exhaust process. Four-stroke engines have the benefit of using two full piston strokes to induct intake charge and to expel exhaust gases. Controlling the trapped charge composition in a twostroke engine via a scavenging process is crucial for reliable and efficient engine operation.

33 ADVANCED PROPULSION SYSTEMS↗