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NASA NTRSDate not supplied

DeepONet-Assisted Optimization of Surface Topography for Transition Delay in a Mach 4.5 Boundary Layer

We use deep learning, an ensemble variational technique (EnVar), and direct numerical simulations(DNS) to design an optimal topography for a two-dimensional roughness element that delays the on-set of laminar-turbulent transition in a Mach 4.5 flat-plate boundary layer. Deep operator networks (DeepONets), which have the known ability to learn complex nonlinear operators within dynamical systems, are used for machine learning. For the baseline configuration of a smooth flat plate, the second-mode waves at the DNS inflow cause a quick nonlinear breakdown of the high-speed boundary layer within the computational domain. Results reported in the present study validate the ability of DeepONets to model the transition delay via a given topography of the roughness element. The computing cost to optimize the rough-ness element for minimal skin-friction drag is substantially lowered by the DeepONets-based reduced-order model. In comparison to the baseline method of EnVar optimization based on DNS alone, the DeepONets-based EnVar optimizer is able to delay transition past the outflow boundary of the computational domain while utilizing almost 5–6 times fewer DNS.

Machine Learning↗

NASA NTRSDate not supplied

Hypersonic Boundary-Layer Transition over a Blunt Circular Cone in a Mach 8 Digital Wind Tunnel

To understand the effects of freestream acoustic disturbances on transition reversal over a blunt body, three-dimensional direct numerical simulations (DNS) were conducted to investigate the interaction of a tunnel-like acoustic disturbance field with a Mach 8 laminar boundary layer over a 7 deg half-angle blunt cone with a nose radius of 𝑅 𝑛 = 5.2 mm. The flow conditions and the axisymmetric cone geometry matched those measured in the Sandia Hypersonic Wind Tunnel at Mach 8 (Sandia HWT-8), and the incident freestream acoustic disturbances in the DNS were generated by acoustic radiation from the nozzle-wall turbulent boundary layer in the same tunnel. Consistent with the predictions of the nonmodal instability analysis, the study shows the emergence of a second spectral peak for moderately oblique waves between 150 kHz and 200 kHz in the aft part of the cone. The spectral energy of temperature and streamwise velocity fluctuations is initially concentrated within the entropy layer. These fluctiations are eventually “swallowed” by the boundary layer as the entropy-layer thickness 𝛿 𝑆 becomes similar to the boundary-layer thickness 𝛿h𝑡 at downstream locations. The numerical schlieren contours show the same inclined structures commonly observed in blunt cone experiments, and these structures are found to be three dimensional and advect with a constant speed approximately equal to the mean flow speed near the edge of the boundary layer.

Hypersonic Flow↗

NASA NTRSDate not supplied

Hypersonic Boundary-Layer Transition over a Blunt Circular Cone in a Mach 8 Digital Wind Tunnel

Hypersonic Flow↗

NASA NTRSDate not supplied

New Capabilities and Improvements to the High-Order Glenn Flux Reconstruction Code

The Glenn Flux Reconstruction (GFR) code is a computational fluid dynamics (CFD) code under development at NASA Glenn Research Center. GFR is based on the high-order flux reconstruction (FR) method and provides a large-eddy simulation (LES) capability that is both accurate and efficient for complex aeropropulsion flows. Three significant new capabilities have been added to the code that improve its performance and functionality. First, a variety of explicit Runge-Kutta methods, including some with adaptive time stepping, were added to GFR with two methods offering a 33% improvement in time-to-solution. Second, GFR can now utilize fully unstructured, mixed-element meshes to more easily facilitate the grid generation process for complex geometries. Finally, a rotating reference frame capability has been added to GFR for solving rotating turbomachinery problems. A selection of results demonstrating these new capabilities are presented in this work. The Taylor-Green vortex problem is used to verify the new unstructured capability by showing similar accuracy and resolution for all element types. LES of the Turbulent Heat Flux Phase III (THX3) experiment with comparison to another high-order LES code and a popular Reynolds-averaged Navier-Stokes (RANS) code demonstrates the accuracy of the code for complex aeropropulsion flows. Finally, LES of a spacecraft cabin ventilation fan shows the ability of GFR to efficiently establish a fan performance map and identify operating points for further analysis at high orders of accuracy.

High-Order Methods↗

DOE OSTI2014

Performance of the fusion code GYRO on four generations of Cray computers

GYRO is a code used for the direct numerical simulation of plasma microturbulence. It has been ported to a variety of modern MPP platforms including several modern commodity clusters, IBM SPs, and Cray XC, XT, and XE series machines. We briefly describe the mathematical structure of the equations, the data layout, and the redistribution scheme. Also, while the performance and scaling of GYRO on many of these systems has been shown before, here we show the comparative performance and scaling on four generations of Cray supercomputers including the newest addition - the Cray XC30. The more recently added hybrid OpenMP/MPI imple- mentation also shows a great deal of promise on custom HPC systems that utilize fast CPUs and proprietary interconnects. Four machines of varying sizes were used in the experiment, all of which are located at the National Institute for Computational Sciences at the University of Tennessee at Knoxville and Oak Ridge National Laboratory. The advantages, limitations, and performance of using each system are discussed.

Fahey, Mark R↗

DOE OSTI2015

Shear dynamo, turbulence, and the magnetorotational instability

The formation, evolution, and detailed structure of accretion disks remain poorly understood, with wide implications across a variety of astrophysical disciplines. While the most pressing question – what causes the high angular momentum fluxes that are necessary to explain observations? – is nicely answered by the idea that the disk is turbulent, a more complete grasp of the fundamental processes is necessary to capture the wide variety of behaviors observed in the night sky. This thesis studies the turbulence in ionized accretion disks from a theoretical standpoint, in particular focusing on the generation of magnetic fields in these processes, known as dynamo. Such fields are expected to be enormously important, both by enabling the magnetorotational instability (which evolves into virulent turbulence), and through large-scale structure formation, which may transport angular momentum in different ways and be fundamental for the formation of jets. The central result of this thesis is the suggestion of a new large-scale dynamo mechanism in shear flows – the “magnetic shear-current effect” – which relies on a positive feedback from smallscale magnetic fields. As well as being a very promising candidate for driving field generation in the central regions of accretion disks, this effect is interesting because small-scale magnetic fields have historically been considered to have a negative effect on the large-scale dynamo, damping growth and leading to dire predictions for final saturation amplitudes. Given that small-scale fields are ubiquitous in plasma turbulence above moderate Reynolds numbers, the finding that they could instead have a positive effect in some situations is interesting from a theoretical and practical standpoint. The effect is studied using direct numerical simulation, analytic techniques, and novel statistical simulation methods. In addition to the dynamo, much attention is given to the linear physics of disks and its relevance to turbulence. This is studied using nonmodal stability theory, which both provides a highly intuitive connection between global domains and the commonly studied shearing box, and suggests that transient linear growth can often be more important than spectral instability. These realizations motivate the use of the quasi-linear models that are applied extensively throughout the turbulence and dynamo studies later in the thesis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Zonal Flows and Turbulence in Fluids and Plasmas

In geophysical and plasma contexts, zonal flows are well known to arise out of turbulence. We elucidate the transition from statistically homogeneous turbulence without zonal flows to statistically inhomogeneous turbulence with steady zonal flows. Starting from the Hasegawa--Mima equation, we employ both the quasilinear approximation and a statistical average, which retains a great deal of the qualitative behavior of the full system. Within the resulting framework known as CE2, we extend recent understanding of the symmetry-breaking `zonostrophic instability'. Zonostrophic instability can be understood in a very general way as the instability of some turbulent background spectrum to a zonally symmetric coherent mode. As a special case, the background spectrum can consist of only a single mode. We find that in this case the dispersion relation of zonostrophic instability from the CE2 formalism reduces exactly to that of the 4-mode truncation of generalized modulational instability. We then show that zonal flows constitute pattern formation amid a turbulent bath. Zonostrophic instability is an example of a Type Is instability of pattern-forming systems. The broken symmetry is statistical homogeneity. Near the bifurcation point, the slow dynamics of CE2 are governed by a well-known amplitude equation, the real Ginzburg-Landau equation. The important features of this amplitude equation, and therefore of the CE2 system, are multiple. First, the zonal flow wavelength is not unique. In an idealized, infinite system, there is a continuous band of zonal flow wavelengths that allow a nonlinear equilibrium. Second, of these wavelengths, only those within a smaller subband are stable. Unstable wavelengths must evolve to reach a stable wavelength; this process manifests as merging jets. These behaviors are shown numerically to hold in the CE2 system, and we calculate a stability diagram. The stability diagram is in agreement with direct numerical simulations of the quasilinear system. The use of statistically-averaged equations and the pattern formation methodology provide a path forward for further systematic investigations of zonal flows and their interactions with turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Topology Optimization of Cellular Structure.

This paper presents an end-to-end design process for compliance minimization based topological optimization of cellular structures through to the realization of a final printed product. Homogenization is used to derive properties representative of these structures through direct numerical simulation of unit cell models of the underlying periodic structure. The resulting homogenized properties are then used assuming uniform distribution of the cellular structure to compute the final macro-scale structure. A new method is then presented for generating an STL representation of the final optimized part that is suitable for printing on typical industrial machines. Quite fine cellular structures are shown to be possible using this method as compared to other approaches that use nurb based CAD representations of the geometry. Finally, results are presented that illustrate the fine-scale stresses developed in the final macro-scale optimized part and suggestions are made as to incorporate these features into the overall optimization process.

42 ENGINEERING↗

DOE OSTI2017

Definition, dimensionality, and resolution effects on the flame surface area at high Karlovitz number [Turbulent flame surface area at high Karlovitz number]

Direct numerical simulations of turbulent premixed flames are used to assess differences in flame surface area between recent experimental and numerical studies at high Karlovitz number. Simulations performed at varying Karlovitz number and integral length scale reveal a strong correlation between the turbulent flame speed and the flame surface area. Experimental measurements from the literature do not always exhibit such strong correlation. Potential discrepanices between the experimental and numerical methodologies are identified and quantified. The experimental PLIF images are two-dimensional and their resolution is limited by that of the PLIF system. The implication of using two-dimensional isocontours is assessed by post-processing the simulation data. It is shown that the surface computed from the three-dimensional field is always greater than that computed from the two-dimensional images. Furthermore, the effect of the PLIF resolution is assessed by filtering the simulated data. Significant differences between the unfiltered and filtered surface areas are observed at a filter width representative of the PLIF resolution.

02 PETROLEUM↗

DOE OSTI2019

Assessment of Enthalpy-Based Conditional Moment Closure Models in Predicting Ignition of Lean and Stoichiometric PRF-Air Mixtures with Temperature Inhomogeneity

Accurate prediction of the ignition delay in turbulent flows is important in developing advanced combustion technology for internal combustion engines. Enthalpy-based conditional moment closure (CMC) models are assessed with 2-D direct numerical simulation (DNS) data for ignition of homogeneous PRF-air mixtures with temperature inhomogeneity in homogeneous isotropic turbulence. The sensible-enthalpy-based CMC model is compared with the total-enthalpy-based formulation, with the focus being placed on assessing the capability of the CMC models in predicting ignition processes under different engine conditions. A priori analysis shows that the total-enthalpy-based CMC gives good predictions of the heat release rates in the lean mixtures when the temperature inhomogeneity level is low, but leads to significant overprediction under the stoichiometric condition regardless of the thermal stratification levels. On the other hand, the sensible enthalpy formulation performs well for all conditions considered in this study due to the suppressed conditional temperature fluctuations. A mapping method to model conditional scalar dissipation rates and probability density function of sensible enthalpy is also assessed.

Wang, Wei↗

DOE OSTI2022

Novel Solver Algorithms for Nearly Singular Linear Systems Arising in Combustion Modelling

Direct Numerical Simulations of realistic combustion devices are extremely challenging due to the wide separation of scales in the simulation, for example an internal combustion (IC) engine chamber, and the flame thickness of a high-pressure flame. The PeleLMeX solver uses adaptive mesh refinement (AMR) to evolve multi-species reacting flows in the low Mach number limit at the Exascale and relies on an embedded boundary (EB) approach to represent complex geometries. In that framework, the EB geometries often give rise to very small cut-cells along the boundary, which translate into extreme ill-conditioning of the pressure-projection, with eigenvalues that span 15-16 orders of magnitude. In this talk, we focus on the case of a typical IC piston bowl geometry for which we present on a novel approach towards solving these nearly singular linear systems with ILU-based, C-AMG smoothers on massively parallel architectures. In particular, we use scaling and equilibration algorithms to handle the non-normality of the upper triangular factors. This enables us to approximate the highly sequential triangular solve algorithm, embedded in the AMG smoothing-solve phase, with Jacobi iterations. This approximation can be written as a convergent Neumann series whose terms are composed of highly parallel sparse matrix vector multiplications. The result is an algorithm that substantially decreases setup and solve time, compared to state-of-the-art, for these challenging linear systems.

combustion modelling↗

DOE OSTI2022

DNS of Hydrodynamic Instabilities of Laminar H2/O2/N2 Flames at Elevated Pressure

The atypical combustion properties of hydrogen have long provided an interest for hydrogen-enriched combustion, emphasized in recent years by increasingly stringent emission regulations. Significant work has been focused on the small hydrocarbon(C1-C3)/hydrogen blends, but much less is known about the effect of hydrogen on heavier hydrocarbon combustion, of interest for the aviation and automotive industry. In this work, we perform direct numerical simulations (DNS) of spherically expanding laminar n-dodecane/H2 flames in a constant-volume vessel at elevated pressure and a range of hydrogen seeding levels. A low Mach number model is used to represent the gas and flame dynamics allowing for a temporally varying, spatially homogeneous pressure field, while also enabling numerical evolution of the system numerically at time step sizes governed by the advective CFL limit rather than acoustic processes. We use an adaptive mesh refinement (AMR) approach to tackle the large separation of scales associated with high pressure premixed flame surfaces propagating in a laboratory-scale closed domain. We incorporate detailed chemistry and transport models for the reacting flow and focus the analysis on the effects of the pressure rise on the flame propagation characteristics and morphology as the hydrogen content is increased. The presence of fast diffusive H2 and the pressure rise results in dramatic thinning of the flame and the potential onset of hydrodyanmic and theromdiffusive instabilities. We assess the potential role of these instabilities on the ability to accurately measure laminar burning speed experimentally based on the mean flame surface propagation speed.

high pressure↗

DOE OSTI2022

(Towards) DNS of a Laboratory Lean CH4/H2 Low-Swirl Flame Impinging on an Inclined Wall

Due to downsizing trends, flame-wall interaction (FWI) is increasingly prominent in gas turbines (GTs). FWI has direct consequences on flame stabilization and pollutant emissions, but it is not well understood in turbulent flows representative of GTs. We present results from a direct numerical simulation (DNS) of a turbulent CH4/H2 model GT low-swirl laboratory-scale flame interacting with an inclined wall. The results from the laboratory flame include simultaneous measurements of velocity using stereo particle imaging velocimetry and OHxCH2O planar laser induced fluorescence. The adaptive-mesh refinement solver PeleLMeX is used, with 24-species, 105-reaction reduced Aramco chemical kinetics mechanism. The premixed fuel-air mixture consists of hydrogen-enriched methane with 70% hydrogen volume fraction and 0.4 equivalence ratio. The inflow is prescribed to match experimental measurements at the burner exit. Karlovitz and turbulent Reynolds numbers are 300 and 400, respectively. The simulation and experimental results show excellent agreement. The flame features a bowl-shape stabilization, with a corrugated, continuous flame front at the leading edge, followed by fragmented reaction zones downstream. A large diffuse cloud of CH2O is formed downstream of the quenching point. The simulation results indicate that the cloud of CH2O is the result of incomplete methane combustion, with CH2O "leaking" from the locally quenched reaction zones.The DNS provides fine-grain resolution of turbulence-flame-wall interaction that cannot be captured with experimental measurements. With access to the entire solution vector at each cell of the computational domain, the local quenching.

flame-wall interactions↗

DOE OSTI2022

PARTICLE RESOLVED DNS STUDY OF TURBULENCE EFFECTS ON HYPORHEIC MIXING IN RANDOMLY PACKED SEDIMENT BEDS

Pore-resolved direct numerical simulations (DNS) are used to investigate the interactions between stream-water flow turbulence and groundwater flow through a porous sediment bed in the hyporheic zone. Two permeability Reynolds numbers (2.56 and 5.17), representative of aquatic systems and representing ratio of permeability to viscous length scales, were simulated to understand its influence on the momentum exchange at the sediment-water interface (SWI). A doubleaveraging methodology is used to compute the Reynolds stresses, form-induced stresses, and pressure fluctuations. It is observed that both shear layer and turbulent shear stress penetration increases with ReK. Reynolds and form-induced bed-normal stresses increase with ReK. The peak values of the form-induced stresses for the lower (2.56) and higher (5.17) ReK happen within the top layer of the sediment bed. The sum of turbulent and form-induced pressure fluctuations, analyzed at their respective zero-displacement planes, are statistically similar and can be well approximated by a t location-scale distribution fit providing with a model that could potentially be used to impose boundary conditions at the SWI in reach scale simulations.

Karra, Shashank↗

DOE OSTI2023

DNS of a Simplified Gas Turbine Premixer: Auto-Ignition and Flame Stabilization

With the increasing need for fuel-flexibility, an understanding of auto-ignition inside gas turbine premixers is crucial. Direct numerical simulation (DNS) is a great tool to reveal the fine grain details of physics inside the premixer and guide the choice of the models to use for less expensive simulations. We present numerical simulations of a simplified and downscaled premixer, with multiple air jets in rich fuel crossflow. The simulations show intense fuel-air mixing and flame-turbulence interaction. We examine flow acceleration by the incoming jets, and the combustion within the device. We observe low-temperature and high-temperature combustion signatures, and compute the flame index to quantify local stabilization modes.

combustion↗

DOE OSTI2016

Two-phase Flow Regime Transition Study using Level-Set Method

In Boiling Water Reactors (BWRs) the coolant exiting the core often has void fractions as high as 50%, resulting in high gas volume fraction two-phase flow regimes, such as annular or churn-turbulent flow. As the coolant boils along the subchannels it will experience flow regime transitions from bubbly to slug, slug to churn, and, finally, churn to annular. While these transition points are known to occur as a higher void develops along the flow path, the driving physics of the transition phenomenon is not well understood. Currently, experiment based correlations are the most reliable method for predicting where in the core the flow regime transitions will occur. However, experimentally, it's ever difficult to observe the details of the two-phase flow at prototypical pressures/temperatures, or, as with high fidelity experiments, the conditions differ from those in a reactor. Being able to predict these flow regime transitions is critical to safe and efficient reactor operations as well as maintaining fuel rod integrity by avoiding dryout. The characterization of flow regimes has been extensively studied, producing a wide set of flow regime maps based on characteristic parameters such as vapor and liquid superficial velocity, time dependent pressure drop, interfacial area density, etc. While these studies are useful in predicting the flow regime for certain geometry and flow conditions, they do not provide a universal predictive capability for any geometry under any conditions. Additionally, it is difficult to achieve reactor realistic pressure and temperature conditions in experiments. Direct Numerical Simulation (DNS) coupled with Interface Tracking Methods (ITMs) becomes advantageous in this case because the simulations are not limited by the material properties or to the real world conditions. DNS allows for analysis of flows that would be impossible to achieve, or observe in detail, experimentally. The finite element based DNS code, PHASTA (parallel, hierarchic, higher-order accurate, adaptive, stabilized transient analysis flow solver), used in this work utilizes the level set ITM and has been previously shown to properly resolve bubbly, slug, and annular flows, but not transitions between the two-phase flow regimes. The present work uses PHASTA to analyze flow in a pipe for various void fractions and superficial velocities. Flow regime transitions were induced to demonstrate the transient behavior of this phenomenon. With the unique advanced analysis capabilities developed in PHASTA that allow for individual bubble tracking, it becomes possible to extract new localized information about the flow behavior that is currently not attainable from experiments. The potential of this capability is to uncover the underlying physics of the flow regime transition phenomenon. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

DNS Study of Supercritical CO{sub 2} Flow Using Spectral Element Code Nek5000

The study of supercritical CO{sub 2} (s-CO{sub 2}) heat transfer has become popular in recent decades. The driving factor is the growing interest of using s-CO{sub 2} in future power conversion cycles. The supercritical CO{sub 2} Brayton cycle has gained the most focus for its high efficiency, compact design, economics, etc, . In this cycle, heat exchangers are used to heat up or cool down CO{sub 2}. Thus, the heat transfer characteristics of s-CO{sub 2} need to be well understood for heat exchanger design. In this research, we use the open-source spectral-element code Nek5000, developed by Argonne National Laboratory, to perform a direct numerical simulation (DNS) for s-CO{sub 2} flow through a straight heated tube. The pioneering paper by Bae et al. is used to validate the results from the Nek5000 simulation. (authors)

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2017

Computation of Air Discharge into a Water Pool by Using Volume-of-Fluid Method

Suppression tanks, in-containment refueling water storage tanks (IRWSTs) and filtered containment venting systems (FCVSs) of nuclear power plants use water pools to accommodate high-pressure and high-temperature discharge of non-condensable gases and/or steam. Dynamic behavior of gas bubbles inside a water pool determines pressure and temperature loading to the system and thus we need validated method for applications. The underlying physics relevant to these problems is still a difficult issue due to the complicated nature of gas- liquid interfacial transfers of mass, momentum, and energy in a two-phase flow. Therefore, notwithstanding many studies performed over the past two or three decades, two-fluid theory is still a formidable task and direct numerical simulation (DNS) needs huge computing cost. Pellegrini et al. analyzed steam condensation and chugging in the water pool of the PPOOLEX STB-24 test by using STAR-CCM+ code implemented with two-phase interface model based on the Rayleigh-Taylor instability theory (RTI) which triggers steam depressurization. For the solution of the fine interface, they used Eulerian-Eulerian model for the fluid domain since the volume-of-fluid (VOF) model requires larger mesh points. The RTI resulted in complete steam condensation consistent with the experiment. The fluid tank was open to the atmosphere. They reported the volume fraction distributions in the pool, not the pool temperature or pressure history. For non-condensing gas discharges, however, the VOF is still a good alternative to the Eulerian two-fluid or the DNS approaches. The spatial distribution of each phase is defined in terms of volume fractions and the cell physical properties are obtained from linear combinations of those of constituent phases weighted by each volume fraction. Therefore, conditions where thermal and phase change effects become important are less likely to be simulated realistically. The VOF model is suited for the simulation of flows where each phase constitutes a large structure with a relatively small total contact area between phases. Present work is also interested in this VOF method for application to air discharge into a water pool which occurs in the early operating stages of the said facilities. Our purpose is to validate the VOF method against an existing air discharge experiment of PPOOLEX by using a commercial CFD code, STAR-CCM+ version 10.04, in terms of macroscopic flow properties. Effect of turbulence is also discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗