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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Auto-Adjustable Tool for Self-Reacting and Conventional Friction Stir Welding

A friction stir welding dcvice that is configured to perform convention friction stir welding as well as self-reacting friction stir welding is described. A pin passes hrough an upper shoulder and can selectively attach 10 and detach from a lower shoulder in a preferred embodiment. A controller maintains thc discrete position of, and/or force applied by, the upper and lower shoulders during self-reacting friction stir welding, or maintains the pin at a desired depth and/or applied force during conventional friction stir welding.

Robert W Carter↗
NASA NTRS2003

Optical and Probe Diagnostics Applied to Reacting Flows

The general theme of the research my NASA colleague and I have planned is "Optical and probe diagnostics applied to reacting flows". We plan to explore three major threads during the fellowship period. The first interrogates the flame synthesis of carbon nanotubes using aerosol catalysts. Having demonstrated the viability of the technique for nanotube synthesis, we seek to understand the details of this reacting system which are important to its practical application. Laser light scattering will reveal changes in particle size at various heights above the burner. Analysis of the flame gas by mass spectroscopy will reveal the chemical composition of the mixture. Finally, absorption measurements will map the nanotube concentration within the flow. The second thread explores soot oxidation kinetics. Despite the impact of soot on engine performance, fire safety and pollution, models for its oxidation are inhibited by uncertainty in the values of the oxidation rate. We plan to employ both optical and microscopic measurements to refine this rate. Cavity ring-down absorption measurements of the carbonaceous aerosol can provide a measure of the mass concentration with time and, hence, an oxidation rate. Spectroscopic and direct probe measurements will provide the temperature of the system needed for subsequent modeling. These data will be benchmarked against changes in soot nanostructures as revealed by transmission electron microscopic images from directly sampled material.

Ticich, Thomas M.↗
NASA NTRS2009

A Finite Element Theory for Predicting the Attenuation of Extended-Reacting Liners

A non-modal finite element theory for predicting the attenuation of an extended-reacting liner containing a porous facesheet and located in a no-flow duct is presented. The mathematical approach is to solve separate wave equations in the liner and duct airway and to couple these two solutions by invoking kinematic constraints at the facesheet that are consistent with a continuum theory of fluid motion. Given the liner intrinsic properties, a weak Galerkin finite element formulation with cubic polynomial basis functions is used as the basis for generating a discrete system of acoustic equations that are solved to obtain the coupled acoustic field. A state-of-the-art, asymmetric, parallel, sparse equation solver is implemented that allows tens of thousands of grid points to be analyzed. A grid refinement study is presented to show that the predicted attenuation converges. Excellent comparison of the numerically predicted attenuation to that of a mode theory (using a Haynes 25 metal foam liner) is used to validate the computational approach. Simulations are also presented for fifteen porous plate, extended-reacting liners. The construction of some of the porous plate liners suggest that they should behave as resonant liners while the construction of others suggest that they should behave as broadband attenuators. In each case the finite element theory is observed to predict the proper attenuation trend.

Watson, W. R.↗
NASA NTRS2010

Comparing Spray Characteristics from Reynolds Averaged Navier-Stokes (RANS) National Combustion Code (NCC) Calculations Against Experimental Data for a Turbulent Reacting Flow

Developing physics-based tools to aid in reducing harmful combustion emissions, like Nitrogen Oxides (NOx), Carbon Monoxide (CO), Unburnt Hydrocarbons (UHC s), and Sulfur Dioxides (SOx), is an important goal of aeronautics research at NASA. As part of that effort, NASA Glenn Research Center is performing a detailed assessment and validation of an in-house combustion CFD code known as the National Combustion Code (NCC) for turbulent reacting flows. To assess the current capabilities of NCC for simulating turbulent reacting flows with liquid jet fuel injection, a set of Single Swirler Lean Direct Injection (LDI) experiments performed at the University of Cincinnati was chosen as an initial validation data set. This Jet-A/air combustion experiment operates at a lean equivalence ratio of 0.75 at atmospheric pressure and has a 4 percent static pressure drop across the swirler. Detailed comparisons of NCC predictions for gas temperature and gaseous emissions (CO and NOx) against this experiment are considered in a previous work. The current paper is focused on detailed comparisons of the spray characteristics (radial profiles of drop size distribution and at several radial rakes) from NCC simulations against the experimental data. Comparisons against experimental data show that the use of the correlation for primary spray break-up implemented by Raju in the NCC produces most realistic results, but this result needs to be improved. Given the single or ten step chemical kinetics models, use of a spray size correlation gives similar, acceptable results

Iannetti, Anthony C.↗
NASA NTRS2011

Density Weighted FDF Equations for Simulations of Turbulent Reacting Flows

In this report, we briefly revisit the formulation of density weighted filtered density function (DW-FDF) for large eddy simulation (LES) of turbulent reacting flows, which was proposed by Jaberi et al. (Jaberi, F.A., Colucci, P.J., James, S., Givi, P. and Pope, S.B., Filtered mass density function for Large-eddy simulation of turbulent reacting flows, J. Fluid Mech., vol. 401, pp. 85-121, 1999). At first, we proceed the traditional derivation of the DW-FDF equations by using the fine grained probability density function (FG-PDF), then we explore another way of constructing the DW-FDF equations by starting directly from the compressible Navier-Stokes equations. We observe that the terms which are unclosed in the traditional DW-FDF equations are now closed in the newly constructed DW-FDF equations. This significant difference and its practical impact on the computational simulations may deserve further studies.

Shih, Tsan-Hsing↗
NASA NTRS2003

Assessment of Models of Chemically Reacting Granular Flows

A report presents an assessment of a general mathematical model of dense, chemically reacting granular flows like those in fluidized beds used to pyrolize biomass. The model incorporates submodels that have been described in several NASA Tech Briefs articles, including "Generalized Mathematical Model of Pyrolysis of Biomass" (NPO-20068) NASA Tech Briefs, Vol. 22, No. 2 (February 1998), page 60; "Model of Pyrolysis of Biomass in a Fluidized-Bed Reactor" (NPO-20708), NASA Tech Briefs, Vol. 25, No. 6 (June 2001), page 59; and "Model of Fluidized Bed Containing Reacting Solids and Gases" (NPO- 30163), which appears elsewhere in this issue. The model was used to perform computational simulations in a test case of pyrolysis in a reactor containing sand and biomass (i.e., plant material) particles through which passes a flow of hot nitrogen. The boundary conditions and other parameters were selected for the test case to enable assessment of the validity of some assumptions incorporated into submodels of granular stresses, granular thermal conductivity, and heating of particles. The results of the simulation are interpreted as partly affirming the assumptions in some respects and indicating the need for refinements of the assumptions and the affected submodels in other respects.

Bellan, Josette↗
NASA NTRS2012

Ensemble Averaged Probability Density Function (APDF) for Compressible Turbulent Reacting Flows

In this paper, we present a concept of the averaged probability density function (APDF) for studying compressible turbulent reacting flows. The APDF is defined as an ensemble average of the fine grained probability density function (FG-PDF) with a mass density weighting. It can be used to exactly deduce the mass density weighted, ensemble averaged turbulent mean variables. The transport equation for APDF can be derived in two ways. One is the traditional way that starts from the transport equation of FG-PDF, in which the compressible Navier- Stokes equations are embedded. The resulting transport equation of APDF is then in a traditional form that contains conditional means of all terms from the right hand side of the Navier-Stokes equations except for the chemical reaction term. These conditional means are new unknown quantities that need to be modeled. Another way of deriving the transport equation of APDF is to start directly from the ensemble averaged Navier-Stokes equations. The resulting transport equation of APDF derived from this approach appears in a closed form without any need for additional modeling. The methodology of ensemble averaging presented in this paper can be extended to other averaging procedures: for example, the Reynolds time averaging for statistically steady flow and the Reynolds spatial averaging for statistically homogeneous flow. It can also be extended to a time or spatial filtering procedure to construct the filtered density function (FDF) for the large eddy simulation (LES) of compressible turbulent reacting flows.

Shih, Tsan-Hsing↗
NASA NTRS2012

Effects of Fusion Tack Welds on Self-Reacting Friction Stir Welds

In order to know whether fusion tack welds would affect the strength of self-reacting friction stir seam welds in 2195-T87 aluminum alloy, the fracture stresses of 144 tensile test coupons cut from 24 welded panels containing segments of friction stir welds were measured. Each of the panels was welded under unique processing conditions. A measure of the effect of the tack welds for each panel was devised. An analysis of the measures of the tack weld effect supported the hypothesis that fusion tack welds do not affect the strength of self-reacting friction stir welds to a 5% level of confidence.

Nunes, A. C., Jr.↗
NASA NTRS2016

Origins of Line Defects in Self-Reacting Friction Stir Welds and Their Impact on Weld Quality

Friction stir welding (FSWing) is a solid state joining technique which reduces the occurrence of typical defects formed in fusion welds, especially of highly alloyed metals. Although the process is robust for aluminum alloys, occasional reductions in the strength of FSWs have been observed. Shortly after the NASA-MSFC implemented a variation of FSW called self-reacting (SR), low strength properties were observed. At that time, this reduction in strength was attributed to a line defect. At that time, the limited data suggested that the line defect was related to the accumulation of native oxides that form on the weld lands and faying surfaces. Through a series of improved cleaning methods, tool redesign, and process parameter modifications, the reduction in the strength of the SR-FSWs was eliminated. As more data has been collected, the occasional reduction in the strength of SR-FSW still occurs. These occasional reductions indicate a need to reexamine the underlying causes. This study builds off a series of self reacting (SR)-FSWs that were made in 3 different thickness panels of AA2219 (0.95, 1.27 and 1.56 cm) at 2 different weld pitches. A bead on plate SR-FSW was also made in the 1.56 cm thick panel to understand the contribution of the former faying surfaces. Copper tracer studies were used to understand the flow lines associated with the weld tool used. The quality of the SR-FSWs was evaluated from tensile testing at room temperature. Reductions in the tensile strength were observed in some weldments, primarily at higher weld pitch or tool rotations. This study explores possible correlations between line defects and the reduction of strength in SR-FSWs. Results from this study will assist in a better understand of the mechanisms responsible for reduced tensile strength and provide methodology for minimizing their occurrence.

Schneider, Judy↗
DOE OSTI2025

A discontinuous Galerkin spectral element method for compressible reacting flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large-eddy simulations because of their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reacting Navier-Stokes equations. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of the DG approach. The framework, implemented in the spectral element code Nek5000, is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. An entropy-residual based artificial viscosity is added to smooth shocked regions of flow, and a positivity-preserving limiter is implemented to suppress non-physical oscillations. These enhancements support the numerical stability of the hydrodynamic sub-step, which is decoupled from the chemistry integration through a second-order operator splitting method. Here, a series of smooth and discontinuous validation cases are presented in increasing physical and computational complexity for both inviscid and viscous flows. In particular, simulations of canonical one-dimensional and two-dimensional detonations are performed, and the high-order numerical results are validated against available literature data. Additional validation studies are carried out for classical three-dimensional numerical simulations of incompressible and compressible turbulent flows.

Compressible reacting flows↗
NASA NTRSDate not supplied

Numerical Investigation of Film Coefficient Engineering Methodology for Dissociated, Chemically Reacting Boundary Layers

Aerothermal analysis of spacecraft planetary entry is heavily dependent on heritage engineering models. The film coefficient heat transfer model examined in this paper estimates the convective heating to the vehicle for a laminar, dissociated, chemically reacting boundary layer for an Earth atmosphere. This model requires information about the vehicle and flow field for a given trajectory point and estimates a proportional relationship between enthalpy potential and convective heat flux. In practice it is the aerothermal engineer who must decide which assumptions are appropriate for their application. This work looks at numerous CFD simulations for an arbitrary, axisymmetric flight vehicle to analyze the relative importance of both the mass and energy constraints imposed at the wall boundary, as well as the effect of various diffusion models. The sensitivity of the engineering model is assessed based on the impact of the CFD assumptions as an effort to make it available to design engineers across industry.

numerical boundary layer↗
NASA NTRS2025

Physics-Based Modeling and Simulation of Self-Reacting Friction Stir Welding Using Computational Fluid Dynamics

A physics-based model was developed to simulate the behavior of material in a self-reacting friction stir welding (SR-FSW) process for the joining of metals. This steady-state model builds upon fundamental computational fluid dynamic (CFD) principles within Ansys Fluent to solve the discretized equations. The effective viscosity is calculated using a viscoplastic model using a Sheppard-Wright formulation of flow stress. Numerous advancements have been made in the incorporated physics including (1) temperature-dependent material properties; (2) locally adaptable flow and thermal boundary conditions; and (3) adapting material properties in nugget in response to microstructural changes. Simulation strategies to accelerate computation and improve numerical stability include adapting the mesh refinement and solver relaxation factors during simulation. The result is a highly robust and computationally efficient model capable of providing the material flow and temperature history across the domain. As material history determines the local microstructure and ultimately weld strength, an accurate and detailed physics-based model has the potential to accelerate SR-FSW process development. The model is highly adaptable to changes in process parameters, tool design, or alloy.

Process Modeling↗
DOE OSTI2025

An iterative dynamic chemical stiffness removal method for reacting flow simulations

Abstract An iterative dynamic chemical stiffness removal method (IDCSR) based on quasi-steady-state approximation (QSSA) is proposed. The IDCSR method is built on a previously developed non-iterative method which has proved to work well for small timestep sizes. A novel iterative procedure is designed in IDCSR to enable explicit time integration of stiff chemistry at relatively large timestep sizes relevant to practical reacting flow simulations. The effectiveness of the iterative procedure is first demonstrated with a toy problem and homogeneous auto-ignition with fixed integration step sizes, showing that larger timestep sizes can be allowed for explicit time integration using IDCSR compared with the previous non-iterative method. IDCSR is then compared with existing explicit chemistry solvers for simulations of homogeneous auto-ignition and shows similar or lower computational cost but significantly higher accuracy across a wide range of timestep sizes. IDCSR is further combined with an automatic adaptive time-stepping scheme for simulations of 0-D homogeneous auto-ignition and a 2-D laminar lifted n -dodecane jet flame. For the 0-D auto-ignition simulations, IDCSR is shown to reduce both the error (by 43%–90%) and computational cost (by 6–15 times) compared with existing explicit solvers, while achieving speed-up factors of up to 400 compared with VODE for a wide range of timestep sizes and reaction mechanisms. For the 2-D jet flame simulations, speed-up factors of 15 and 31 for chemistry integration, and 5 and 9 for overall simulation, are achieved by IDCSR compared with CVODE with and without analytic Jacobian, respectively.

Xu, Chao (ORCID:0000000153074159)↗
DOE OSTI2025

A Geometric Volume of Fluid-Based Multiphase Flow Solver Extension to the Reacting Flow Solver, PeleLM

A new algorithm is presented to simulate multiphase flows with surface tension in a pathway for spray combustion simulation. The algorithm combines capabilities from two open-source packages, including the interface reconstruction library (IRL), a library of computational geometry routines to enable the volume of fluid (VOF) method, and PeleLM, a solver for the reacting Navier-Stokes equations. Additionally, surface tension is implemented using the continuum surface force (CSF) model with an improved height function technique in the volume fraction field. Spurious errors in volume fraction arising from our combined strategy are corrected through a topology-based method that improves both numerical stability and accuracy. Multiple validation simulations are conducted, including (i) translations and rotations of Zalesak's disk, (ii) a stationary circular droplet with surface tension, (iii) an oscillating elliptical droplet, and (iv) three-dimensional deformation of a spherical droplet. Results indicate that the combined scheme retains the favorable properties of each of the component algorithms.

42 ENGINEERING↗
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 OSTI2026

Reacting CO 2 with Light Alkanes to Value-Added Products

Catalytic conversion of anthropogenic carbon dioxide (CO 2 ) into value-added products is a promising strategy to mitigate global carbon emissions. Concurrently, the shale gas revolution has provided an abundant supply of light alkanes (methane, ethane, propane, and butane), presenting a unique opportunity to employ these underutilized hydrocarbons as an effective, low-cost hydrogen source for CO 2 reduction. In this Perspective, we summarize past efforts, current state, and future opportunities for reacting CO 2 with light alkanes to generate a diverse range of value-added products. Compared with direct alkane conversion, the introduction of CO 2 fundamentally alters reaction thermodynamics and kinetics, enabling selective C–H and C–C bond activation while suppressing catalyst deactivation from coke formation. Building on decades of research in dry reforming and CO 2 -assisted dehydrogenation, recent advances in catalyst design have enabled CO 2 -assisted dehydrogenation processes that approach chemical equilibrium for the selective production of olefins and syngas. Importantly, advances in catalyst design and reactor engineering have further expanded the product scope beyond gas-phase (syngas and olefins) to include liquid-phase (oxygenates and aromatics), and solid-phase products (carbon nanomaterials). We highlight key catalyst design principles for controlling reaction pathways and discuss major challenges and opportunities in developing selective and versatile platforms for the simultaneous upgrading of CO 2 and light alkanes.

CO2↗