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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Numerical study of finite-rate supersonic combustion using parabolized equations

A set of partial differential equations, describing the two-dimensional supersonic chemically-reacting flow of the hydrogen-air system, is formulated such that the equations are parabolic in the streamwise direction. A fully-implicit fully-coupled finite-difference algorithm is used to develop a computer code which solves the governing equations by marching in the streamwise direction. The combustion process is modeled by a two-step finite-rate chemistry whereas turbulence is simulated by an algebraic turbulence model. Results of two calculations of internal supersonic reacting flow show fairly good agreement with the results obtained by the more costly full Navier-Stokes procedure.

Chitsomboon, T.↗
NASA NTRS1986

Numerical study of supersonic combustion using a finite rate chemistry model

The governing equations of two-dimensional chemically reacting flows are presented together with a global two-step chemistry model for H2-air combustion. The explicit unsplit MacCormack finite difference algorithm is used to advance the discrete system of the governing equations in time until convergence is attained. The source terms in the species equations are evaluated implicitly to alleviate stiffness associated with fast reactions. With implicit source terms, the species equations give rise to a block-diagonal system which can be solved very efficiently on vector-processing computers. A supersonic reacting flow in an inlet-combustor configuration is calculated for the case where H2 is injected into the flow from the side walls and the strut. Results of the calculation are compared against the results obtained by using a complete reaction model.

Chitsomboon, T.↗
NASA NTRS1992

The impact of time step definition on code convergence and robustness

We have implemented preconditioning for multi-species reacting flows in two independent codes, an implicit (ADI) code developed in-house and the RPLUS code (developed at LeRC). The RPLUS code was modified to work on a four-stage Runge-Kutta scheme. The performance of both the codes was tested, and it was shown that preconditioning can improve convergence by a factor of two to a hundred depending on the problem. Our efforts are currently focused on evaluating the effect of chemical sources and on assessing how preconditioning may be applied to improve convergence and robustness in the calculation of reacting flows.

Venkateswaran, S.↗
DOE OSTI2025

In situ multi-tier auto-ignition detection applied to dual-fuel combustion simulations

Here we use an anomaly detection methodology that is centered on analyzing fourth-order joint moments (co-kurtosis), particularly focusing on its application in auto-ignition of combustion problems with large numbers of species. Unsupervised anomaly detection is challenging to generalize across problem types and domains. A recent technique, centered on analyzing information in the fourth-order joint moment co-kurtosis, has shown promise, especially for high-dimensional scientific data. In this work we present developments to the co-kurtosis based anomaly detection method needed to make it effective and scalable for large-scale distributed scientific data, such as those generated by massively parallel simulations. An in situ co-kurtosis algorithm is employed as the anomaly detection method for identifying ignition kernels in simulations of turbulent combustion. Here, we extend an existing methodology which identifies regions of the domain where anomalies are present, and add another tier of anomaly detection where the individual samples contributing to the anomaly are identified. We apply this algorithm on-the-fly to a variety of turbulent reacting flow problems and compare it to the widely used (but significantly more expensive) chemical explosive mode analysis (CEMA). We demonstrate the ability of the method to detect and identify the onset of low and high temperature ignition which can be used for computational steering, as chemical and combustion anomalies occur intermittently at spatio-temporal locations unknown a priori. Finally, we apply our lightweight in situ algorithm to an exascale high-fidelity simulation with a total of 2.4 Trillion degrees of freedom, performed using an adaptive mesh refinement solver. Furthermore, through a scalability analysis, we show that the relative computational cost of this in-situ anomaly detection algorithm compared to an iteration of the reacting flow solver is negligible.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A weighted state redistribution algorithm for embedded boundary grids

State redistribution is an algorithm that stabilizes cut cells for embedded boundary grid methods. This work extends the earlier algorithm in several important ways. First, state redistribution is extended to three spatial dimensions. Second, we discuss several algorithmic changes and improvements motivated by the more complicated cut cell geometries that can occur in higher dimensions. In particular, we introduce a weighted version with less dissipation in an easily generalizable framework. Third, we demonstrate that state redistribution can also stabilize a solution update that includes both advective and diffusive contributions. Notably, the stabilization algorithm is shown to be effective for incompressible as well as compressible reacting flows. Finally, we discuss the implementation of the algorithm for several exascale-ready simulation codes based on AMReX, demonstrating ease of use in combination with domain decomposition, hybrid parallelism and complex physics.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Acoustic imaging for diagnostics of chemically reacting systems

The concept of local diagnostics, in chemically reacting systems, with acoustic imaging is developed. The elements of acoustic imaging through ellipsoidal mirrors are theoretically discussed. In a general plan of the experimental program, the first system is chosen in these studies to be a simple open jet, non premixed turbulent flame. Methane is the fuel and enriched air is the oxidizer. This simple chemically reacting flow system is established at a Reynolds number (based on cold viscosity) of 50,000. A 1.5 m diameter high resolution acoustic mirror with an f-number of 0.75 is used to map the acoustic source zone along the axis of the flame. The results are presented as acoustic power spectra at various distances from the nozzle exit. It is seen that most of the reaction intensity is localized in a zone within 8 diameters from the exit. The bulk reactions (possibly around the periphery of the larger eddies) are evenly distributed along the length of the flame. Possibilities are seen for locally diagnosing single zones in a multiple cluster of reaction zones that occur frequently in practice. A brief outline is given of the future of this work which will be to apply this technique to chemically reacting flows not limited to combustion.

Ramohalli, K.↗
DOE OSTI2024

Multiphysics Time-Integration for Turbulent Combustion at the Exascale

Turbulent reacting flow systems are often modeled with coupled time-dependent partial differential equations (PDEs). Solving such equations can easily tax the world's largest supercomputers. One pragmatic strategy for attacking such problems is to split the PDEs into components that can more easily be solved in isolation. This generic operator-splitting strategy leads to a set of ordinary differential equations (ODEs) that need to be solved as part of an "outer-loop" time-stepping approach. In many combustion applications, the ODEs to be solved can be very stiff, exhibiting timescales that span many orders of magnitude. The SUNDIALS library provides a plethora of robust time integration algorithms for solving these ODEs on exascale-capable computing hardware, yet for many complex applications (such multicomponent fuels or emissions predictions), the chemical models remain too complex to solve using reasonable resources. The Quasi-Steady State Approximation (QSSA) can be an effective tool for reducing the size and stiffness of the simulations. In this talk, I will discuss the use of the SUDIALS library of ODE solvers together with automatic code generation tools to solve complex turbulent reacting flow problems using QSSA models.

chemistry↗
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 OSTI2023

First principles simulation of reacting hypersonic flow over a blunt wedge

This article presents molecular-level analysis of a reactive, near-continuum, Mach 21 nitrogen flow over a blunt wedge using the direct molecular simulation (DMS) method. The flow conditions lead to internal energy excitation and dissociation in the flow field, resulting in thermal and chemical nonequilibrium in the flow. Thermal nonequilibrium in the vibrational mode is observed to extend to the molecular level, where the vibrational energy distributions at various points in the flow field are observed to be non-Boltzmann. Furthermore, this is the first reactive DMS calculation where the wall is assumed to be isothermal and full momentum accommodation of the particles is enforced, hence incorporating viscous wall effects. Since the DMS method uses a quantum mechanically generated interaction potential as its only modeling input, all thermochemical and transport properties of the flow field can directly be attributed to the ab initio potential energy surface. Using the DMS solution as a benchmark, this article assesses the performance of Navier–Stokes computational fluid dynamics solutions using lower fidelity two-temperature models. Two models are chosen as points of comparison: the well-known Park two-temperature model and the recently developed modified Marrone and Treanor model.

Mechanics↗
NASA NTRS1976

Modeling of three-dimensional mixing and reacting ducted flows

A computer code based on a finite-element solution algorithm is developed to perform an analytical investigation on the turbulent mixing and reaction of hydrogen jets injected from multiple orifices transverse and parallel to a supersonic airstream. A laser optical cavity flow field was also analyzed to demonstrate the generality of the proposed model. Computational results provide a three-dimensional description of velocity, temperature, and species-concentration fields downstream of injection. Major conclusions are that the analysis has immediate utility in evaluating the mixing effectiveness of transverse H2 injection data since it has been tested in its ability to model this type of data and that turbulent mixing length theory, constant effective Prandtl number, and a Lewis number of unity provide reasonable agreement with transverse H2 injection data downstream of the near-injection region. Efforts are presently being directed toward using the code in modeling laser and scramjet data for a wide range of flow conditions.

Zelazny, S. W.↗
NASA NTRS1979

Effects of precursor heating on radiative and chemically reacting viscous flow around a Jovian entry body

The influence of change in the precursor region flow properties on the entire shock layer flow phenomena around a Jovian entry body was investigated. The flow in the shock layer was assumed to be steady, axisymmetric, and viscous. Both the chemical equilibrium and the nonequilibrium composition of the shock layer gas were considered. The effects of transitional range behavior were included in the analysis of high altitude entry conditions. Realistic thermophysical and radiation models were used, and results were obtained by employing the implicit finite difference technique in the shock layer and an iterative procedure for the entire shock layer precursor zone. Results obtained for a 45 degree angle hyperboloid blunt body entering Jupiter's atmosphere at zero angle of attack indicates that preheating the gas significantly increases the static pressure and temperature ahead of the shock for entry velocities exceeding 36 km/sec. The nonequilibrium radiative heating rate to the body is found to be significantly higher than the corresponding equilibrium heating. The precursor heating generally increases the radiative and convective heating of a body. That increase is slightly higher for the nonequilibrium conditions.

Tiwari, S. N.↗
NASA NTRS1985

Future fundamental combustion research for aeropropulsion systems

Physical fluid mechanics, heat transfer, and chemical kinetic processes which occur in the combustion chamber of aeropropulsion systems were investigated. With the component requirements becoming more severe for future engines, the current design methodology needs the new tools to obtain the optimum configuration in a reasonable design and development cycle. Research efforts in the last few years were encouraging but to achieve these benefits research is required into the fundamental aerothermodynamic processes of combustion. It is recommended that research continues in the areas of flame stabilization, combustor aerodynamics, heat transfer, multiphase flow and atomization, turbulent reacting flows, and chemical kinetics. Associated with each of these engineering sciences is the need for research into computational methods to accurately describe and predict these complex physical processes. Research needs in each of these areas are highlighted.

Mularz, E. J.↗
NASA NTRS1985

Future fundamental combustion research for aeropropulsion systems

Physical fluid mechanics, heat transfer, and chemical kinetic processes which occur in the combustion chamber of aeropropulsion systems were investigated. With the component requirements becoming more severe for future engines, the current design methodology needs the new tools to obtain the optimum configuration in a reasonable design and development cycle. Research efforts in the last few years were encouraging but to achieve these benefits research is required into the fundamental aerothermodynamic processes of combustion. It is recommended that research continues in the areas of flame stabilization, combustor aerodynamics, heat transfer, multiphase flow and atomization, turbulent reacting flows, and chemical kinetics. Associated with each of these engineering sciences is the need for research into computational methods to accurately describe and predict these complex physical processes. Research needs in each of these areas are highlighted.

Mularz, E. J.↗
NASA NTRS1988

Extensions of the CSCM methodology for nonequilibrium reacting gas flows

The paper describes the extension of the CSCM flux difference splitting to produce conservative unconditionally stable implicit upwind methods for the extended equation set. The CSCM-S single data level relaxation algorithm is argued to be particularly advantageous for efficiently solving the set of equations. Attention is given to issues of alternative state variable representations and to complementary thermodynamic relations that parameterize and need to be effectively coupled with the solution procedure for the partial differential equations. Within the framework of iteration, consideration is given to more efficient approximate solution procedures than the full block coupled LU decomposition. Results of early numerical experiments are given to illustrate the developments.

Lombard, C. K.↗
NASA NTRS1991

An approximate viscous shock layer technique for calculating chemically reacting hypersonic flows about blunt-nosed bodies

An approximate axisymmetric method was developed which can reliably calculate fully viscous hypersonic flows over blunt nosed bodies. By substituting Maslen's second order pressure expression for the normal momentum equation, a simplified form of the viscous shock layer (VSL) equations is obtained. This approach can solve both the subsonic and supersonic regions of the shock layer without a starting solution for the shock shape. The approach is applicable to perfect gas, equilibrium, and nonequilibrium flowfields. Since the method is fully viscous, the problems associated with a boundary layer solution with an inviscid layer solution are avoided. This procedure is significantly faster than the parabolized Navier-Stokes (PNS) or VSL solvers and would be useful in a preliminary design environment. Problems associated with a previously developed approximate VSL technique are addressed before extending the method to nonequilibrium calculations. Perfect gas (laminar and turbulent), equilibrium, and nonequilibrium solutions were generated for airflows over several analytic body shapes. Surface heat transfer, skin friction, and pressure predictions are comparable to VSL results. In addition, computed heating rates are in good agreement with experimental data. The present technique generates its own shock shape as part of its solution, and therefore could be used to provide more accurate initial shock shapes for higher order procedures which require starting solutions.

Cheatwood, F. Mcneil↗