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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2023

Mass and momentum transport in the Tilted Rocket Rig experiment

Here, high-fidelity large eddy simulations of the inclined Rayleigh-Taylor instability in the Tilted Rocket Rig experimental configuration [Smeeton and Youngs, AWE Report No. O 35/87 (1987)] are performed using a tenth-order compact finite difference code. These simulations are analyzed for spatial distributions of turbulent kinetic energy, turbulent mass flux velocity, species mass fraction flux, species mass fraction variance, and Favre-averaged Reynolds stresses at two time instances, t = 37 ms and t = 52 ms. Additionally, the vertical distribution of the components of the unclosed budget equations over the center of the domain for these quantities are examined. The dominant terms of these budget equations are further decomposed to examine the principal contributions to these terms in each axis. Notably, the principal contribution to the horizontal turbulent mass flux velocity budget is found to be from a term which is commonly neglected in many Reynolds-averaged Navier-Stokes models.

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DOE OSTI2023

Large Eddy Simulation of Externally Induced Ingress about an Axial Seal by Stator Vanes

Turbine inlet temperatures in advanced gas turbines could be as high as 2000 °C. To prevent ingress of this hot gas into the wheelspace between the stator and rotor disks, whose metals can only handle temperatures up to 850 °C, rim seals and sealing flows are used. This study examines the abilities of large eddy simulation (LES) based on the WALE subgrid model and Reynolds-averaged Navier–Stokes (RANS) based on the SST model in predicting ingress in a rotor–stator configuration with vanes but no blades, a configuration with experimental data for validation. Results were obtained for an operating condition, where the ratio of the external Reynolds number to the rotational Reynolds number is 0.538. At this operating condition, both LES and RANS were found to correctly predict the coefficient of pressure, C p , located downstream of the vanes and upstream of the seal, but only LES was able to correctly predict the sealing effectiveness. This shows C p by itself is inadequate in quantifying externally induced ingress. RANS was unable to predict the sealing effectiveness because it significantly under predicted the pressure drop in the hot gas path along the axial direction, especially about the seal region. This affected the pressure difference across the seal in the radial direction, which ultimately drives ingress.

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DOE OSTI2022

Impact of particle size and particle-flow-wall coupling on pressurized oxy-combustion in the down-fired burner

Concerns over climate change have led to numerous efforts in developing low-carbon energy technologies. Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Designing an effective burner plays a vital role in developing new coal combustion technologies. Because of the high pressure, the volume fraction of coal particles at the fuel inlet of the burner of a pressurized oxy-combustor is close or even higher than the maximum limit that commercial CFD codes (e.g., ANSYS FLUENT) can handle. At this high particle volume fraction, the interactions among particles, fluid flow, and wall need to be re-evaluated. The present computational work is the first step of a systematic analysis of the particle influence, like releasing method, releasing locating, and particle size, in a pilot-scale POC combustor, developed at Washington University in St. Louis (WUSTL). In a POC process, pulverized coal is burned under elevated pressure and O2-CO2 environment. Specifically, a 15-bar, 100 kWth, POC combustor is modeled employing ANSYS FLUENT, using Reynolds-averaged Navier-Stokes (RANS) modeling. It is revealed that for this pilot-scale, pressurized burner, velocity profiles of the near-wall region in this POC facility exhibit some discrepancy against the near-wall turbulent flow velocity profile. In order to investigate the particle influence in the near-wall region, particle releasing location will be investigated. Numerical simulation results exhibit the coupling effect of turbulence flow and particles in this case. The particle size also demonstrates a great effect on particle trajectory, then further has an impact on flame stability and temperature.

Li, Lei↗
DOE OSTI2022

Soot-particle core-shell and fractal structures from small-angle X-ray scattering measurements in a flame

We have characterized soot particles measured in situ in a laminar co-flow ethylene-air diffusion flame using small-angle X-ray scattering (SAXS). The analysis includes temperature measurements made with coherent anti-Stokes Raman spectroscopy (CARS) and complements soot volume-fraction and maturity measurements made with laser-induced incandescence (LII). We compared the results of fits to the SAXS measurements using a unified model and a fractal core-shell model. Power-law parameters yielded by the unified model indicate that aggregates of primary particles are in the mass-fractal regime, whereas the primary particles are in the surface-fractal regime in the middle of the flame. Higher and lower in the flame, the primary-particle power-law parameter approaches 4, suggesting smooth primary particles. Furthermore, these trends are consistent with fits using the fractal core-shell model, which indicate that particles have an established core-shell structure in the middle of the flame and are internally homogeneous at higher and lower heights in the flame. Primary-particle size distributions derived using the fractal core-shell model demonstrate excellent agreement with distributions inferred from transmission electron microscopy (TEM) images in the middle of the flame. Higher in the flame, a second small mode appears in the size distributions, suggesting particle fragmentation during oxidation. Surface oxidation would explain (1) aggregate fragmentation and (2) loss of core-shell structure leading to smoother primary-particle surfaces by removal of carbon overlayers. SAXS measurements are much more sensitive to incipient and young soot particles than LII and demonstrate significant volume fraction from particles low in the flame where the LII signal is negligible.

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DOE OSTI2021

Embedded training of neural-network subgrid-scale turbulence models

We report that the weights of a deep neural-network model are optimized in conjunction with the governing flow equations to provide a model for subgrid-scale stresses in a temporally developing plane turbulent jet at Reynolds number Re 0 = 6000 . The objective function for training is first based on the instantaneous filtered velocity fields from a corresponding direct numerical simulation, and the training is by a stochastic gradient descent method, which uses the adjoint Navier-Stokes equations to provide the end-to-end sensitivities of the model weights to the velocity fields. In-sample and out-of-sample testing on multiple dual-jet configurations show that its required mesh density in each coordinate direction for prediction of mean flow, Reynolds stresses, and spectra is half that needed by the dynamic Smagorinsky model for comparable accuracy. The same neural-network model trained directly to match filtered subgrid-scale stresses, without the constraint of being embedded within the flow equations during the training, fails to provide a qualitatively correct prediction. The coupled formulation is generalized to train based only on mean-flow and Reynolds stresses, which are more readily available in experiments. The mean-flow training provides a robust model, which is important, though a somewhat less accurate prediction for the same coarse meshes, as might be anticipated due to the reduced information available for training in this case. The anticipated advantage of the formulation is that the inclusion of resolved physics in the training increases its capacity to extrapolate. This is assessed for the case of passive scalar transport, for which it outperforms established models due to improved mixing predictions.

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DOE OSTI2020

A passive model for the evolution of subgrid-scale instabilities in turbulent flow regimes

In this work, a zero-dimensional model for the development of turbulent mixing layers driven by Rayleigh–Taylor (RT) or Richtmyer–Meshkov (RM) instabilities is presented, for application in Reynolds-Averaged Navier–Stokes (RANS) simulations. The model approximates the behavior of the turbulent mixing layer at a passively advected tracer particle that sits on the material interface of interest in the simulation, and is used to provide initial conditions for the RANS model once the mixing layer width has developed to a size that may be resolved on the computational mesh. The model relies on approximations to the Besnard–Harlow–Rauenzahn (BHR) RANS closure equations and is thus consistent the turbulent development of the mixing layer, unlike previous models of this type which have focused on the early-time laminar development of RT or RM instabilities. These instabilities will often grow through an initially laminar state before developing into turbulence, and criteria for switching from an existing laminar model to the proposed turbulent model are considered. The proposed model reproduces the mixing layer development of RT and RM instabilities seen in mixed width resolving BHR RANS simulations to a reasonable degree of accuracy, and relaxes the need for the RANS simulation to resolve the mixed width as soon as the mixing layer becomes turbulent, which may be impractical in cases where the mixing layer grows through a wide range of scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Turbulence Modeling with Nek5000/RS, SOD2D and Alya

We present Validation and Verification (V & V) study of two high-order spectral element method (SEM) based Computational Fluid Dyanimcs (CFD) codes that we will utilize for work on turbulence modeling: Nek5000 and SOD2D. While the former solves the incompressible form of Navier-Stokes equation, the latter works with compressible set of equations and uses an entropy-viscosity formulation to account for the discontinuities for high Mach number flows. We demonstrate the accuracy of these codes for two benchmark sub-sonic turbulent flows: periodic channel and pipe flow, by carrying out first and second order statistical analysis, grid convergence and turbulent structure analysis using wall-resolved large eddy simulations (WRLES). Later, we report on the implementation and testing of various wall-modeling strategies for large eddy simulation of turbulent flows in Nek5000. These include both classical log-law based and decision-tree based machine-learning models. Accuracy of these closure strategies are analyzed and necessary future work is outlined.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Implementation of Surface Tension on a Reacting Flow Solver, PeleLM: Preprint

In liquid rocket engines, the fuel is supplied to the combustion chamber in the liquid state though injectors. Such fuel undergoes atomization, vaporization, and combustion processes. To design reliable and efficient injectors, it is required to understand the full processes. This research is part of an effort to develop a full atomization-vaporization-combustion solver from first principles. As an initial step to tackle the atomization process, a multiphase flow solver is under development. For the development, a library of the volume of fluid scheme for multiphase, IRL is coupled with a reacting Navier-Stokes equation solver, PeleLM. Furthermore, as the surface tension has considerable effects on spray breakup. surface tension is implemented in the momentum equation using the continuum surface force model and the improved height function technique.

height function↗
DOE OSTI2020

Critique on “A Revisit of Navier-Stokes Equation”

In a recently published work (Sheng, 2020), Sheng identified inconsistencies in the concepts and principles leading to the Navier–Stokes equations and proposed a new asymmetric “friction tensor” to resolve these inconsistencies. We show that this friction tensor can be interpreted as the non-isotropic part of a vorticity-influenced viscous stress tensor following the analysis in Berdahl and Strang (1986). The asymmetric stress tensor however violates the principles of mechanical equilibrium in fluid flows that are free of external or body couples and is therefore non-physical in classical continuum hydrodynamics. We refute the arguments in favour of the asymmetric stress tensor in Sheng (2020) whilst also demonstrating that the friction tensor leads to the incorrect form of the Navier–Stokes equations in non-Cartesian co-ordinates and its ability to recover the correct governing equations in Cartesian co-ordinates is fortuitous.

asymmetric↗
DOE OSTI2025

Laser Measurements and Modeling of Shock Tunnel Freestream Velocity and Multispecies Thermal Nonequilibrium

Coherent anti-Stokes Raman scattering (CARS) and nitric oxide molecular tagging velocimetry (NO-MTV) were used to characterize the freestream in Sandia’s Hypersonic Shock Tunnel (HST) using a burst-mode laser operated at 100 kHz. Experiments were performed at nominal freestream velocities of 3 and 4 km/s using both air and N 2 test gas. The CARS diagnostic provides nonequilibrium characterization of the flow by measuring vibrational and rotational temperatures of N 2 and O 2 , which are compared to NO temperatures from separate laser absorption experiments. Simultaneous, collinear freestream velocities were measured using NO MTV along with pitot pressure measurements. Furthermore, this extensive freestream dataset is compared to nonequilibrium CFD that is capable of modeling species-specific, vibrational temperatures throughout the nozzle expansion. Significant nonequilibrium between vibrational and rotational temperatures was measured at each flow condition. N 2 exhibits the most nonequilibrium, followed by O 2 and NO. The CFD model captures this trend, although it consistently overpredicts N 2 and O 2 vibrational temperatures. At 3 km/s, the modeled NO nonequilibrium is underpredicted, whereas it is overpredicted at 4 km/s. Good agreement is seen between CFD and the velocity and rotational temperature measurements. Experiments with water added to the test gas yielded no discernable difference in vibrational relaxation.

Aerodynamics↗
DOE OSTI2023

Exploring numerical blow-up phenomena for the Keller–Segel–Navier–Stokes equations

The Keller–Segel–Navier–Stokes system governs chemotaxis in liquid environments. This system is to be solved for the organism and chemoattractant densities and for the fluid velocity and pressure. It is known that if the total initial organism density mass is below 2π there exist globally defined generalised solutions, but what is less understood is whether there are blow-up solutions beyond such a threshold and its optimality. Motivated by this issue, a numerical blow-up scenario is investigated. Approximate solutions computed via a stabilised finite element method founded on a shock capturing technique are such that they satisfy a priori bounds as well as lower and L 1 (Ω) bounds for the organism and chemoattractant densities. In particular, these latter properties are essential in detecting numerical blow-up configurations, since the non-satisfaction of these two requirements might trigger numerical oscillations leading to non-realistic finite-time collapses into persistent Dirac-type measures. Our findings show that the existence threshold value 2π encountered for the organism density mass may not be optimal and hence it is conjectured that the critical threshold value 4π may be inherited from the fluid-free Keller–Segel equations. Additionally it is observed that the formation of singular points can be neglected if the fluid flow is intensified.

97 MATHEMATICS AND COMPUTING↗
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↗
DOE OSTI2025

Two-dimensional hydrodynamic viscous electron flow in annular Corbino rings

The concept of fluidic viscosity is ubiquitous in condensed-matter systems hosting a continuum where macroscopic properties can emerge. While an important property of liquids and some solids, only recently was the viscosity of an electron shown to play a role in electronic transport experiments. In this Letter, we present nonlocal electronic transport measurements in concentric annular rings formed in high-mobility two-dimensional electron gases, and the resulting data show that viscous hydrodynamic flow can occur far away from the source-drain current region. Our conclusion of viscous electronic transport is further corroborated by simulations of the Navier-Stokes equations that are found to be in agreement with our measurements below T = 1 K . Finally, this work emphasizes the key role played by viscosity via electron-electron ( e − e ) interaction even when the electronic transport is restricted radially, and for which it should have played no major role. Published by the American Physical Society 2025

Vijayakrishnan, Sujatha (ORCID:0009000080933182)↗
DOE OSTI2023

Mixing in Low Reynolds Number Reacting Impinging Jets in Crossflow

Previous efforts to model uranyl fluoride formation in an impinging jet gas reactor underpredicted spatial mixing and overpredicted chemical conversion into particulates. The previous fluid dynamics model was based on the solution of the Reynolds Averaged Navier Stokes equations. After simulating fluid dynamics, aerosol dynamics were superimposed onto CFD-simulated gas reactant species concentrations. The current work explores the influence of complex unsteady flow features on the overall flow physics and chemistry for a low Reynolds number, opposed flow, impinging jet gas reactor where there is a low Reynolds number cross flow. The objective of this study was to assess the impact of model formulation on scalar mixing and transport. Here, transient flow simulations were performed using Scale Resolving Simulations. Large-Eddy Simulations with the dynamic Smagorinsky turbulence model were performed along with simulations which directly resolved the flow. Average and root-mean-square (RMS) velocities and species concentrations were computed along with modeled and resolved turbulence kinetic energy (TKE), modeled turbulence dissipation, and modeled turbulent viscosity. Lagrangian flow tracers were also used to quantify species concentrations along path lines emanating from the jet tips. Transient simulation data were compared to results from RANS simulations using the k-ω shear stress transport (SST) model and Reynolds Stress Model (RSM). Transient simulations showed spatial mixing patterns which were more consistent with experimental data and helped elucidate the process of particle formation observed in experiments.

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DOE OSTI2025

Verification and Validation of Open-Source Computational Fluid Dynamics Capabilities in MOOSE

The Multiphysics Object Oriented Simulation Environment (MOOSE) advances predictive modeling in nuclear research by simplifying the application design process and making modeling more efficient and accessible to researchers and the broader community. Because of MOOSE’s critical role in the scientific computation field, verification and validation are important to evaluate the reliability and credibility of MOOSE’s code, simulations, and models. To assess MOOSE’s Navier Stokes module and turbulence models, the following verification and validation University of Manchester ERCOFTAC cases were simulated in MOOSE, and the results were compared: Case 032 Turbulent Flow in a 2D Channel Case 079 Natural Convection in an Enclosed Cavity

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DOE OSTI2022

Hybrid large-eddy simulation with adaptive downstream anisotropic eddy viscosity model

Turbulence pervades most flows of engineering interest, and its prediction remains a challenge on both accuracy and cost. One promising predictive approach that reduces cost combines large-eddy simulation (LES) with simulation based on Reynolds averaged Navier–Stokes equations (RANS). This study presents a method to overcome stability and accuracy issues associated with these hybrid LES-RANS methods. The method developed involves extracting the Reynolds stresses from the upstream LES solution and then using that information to convert the downstream RANS model from a scalar eddy-viscosity model to an anisotropic nonlinear eddy-viscosity model. The method developed differs from the downstream tensorial eddy-viscosity model by being independent of the coordinate system. The method developed was evaluated by computing film cooling of a flat plate with the coolant injected through one row of circular holes. Results obtained show instabilities at the LES-to-RANS interface to be eliminated. Also, the method developed yielded solutions that compare reasonably well with those from LES, even though a significant portion of the flow is computed by the adapted anisotropic RANS model instead of LES, which significantly reduced the number of grid points and computational time needed. Since modification of the downstream RANS model is based on information extracted from the upstream LES solution, the method developed is adaptive to the problem being studied.

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