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DOE OSTI2020

Reduced Models for Chemical Kinetics derived from Parallel Ensemble Simulations of Stirred Reactors

Detailed chemical kinetic models are essential to improve the predictive capability of computational fluid dynamics (CFD) simulations and to impact the development of next generation combustion technologies. However, such detailed kinetic models are beyond the reach of CFD codes due to the computational cost of transporting additional chemical degrees of freedom. Reduced order models for combustion kinetics exploit the presence of lower dimensional manifolds in the state space and require far fewer number of scalars to be transported as part of CFD simulations. In this paper, we describe the software infrastructure developed to allow large ensembles of stirred reactor configurations with detailed chemical kinetics. The canonical reactor simulations are incorporated in a workflow with sparse grid and data reduction methodologies aimed at development of reduced order models. We present results from analyzing the results of the stirred reactor calculations for syngas mixture using principal component analysis (PCA) and neural network methodologies. The results show that nonlinear autoencoder model can surpass PCA in representing the original dataset with far fewer degrees of freedom.

Zhang, Pei↗

NASA NTRS1991

Flight test and numerical simulation of transonic flow around YAV-8B Harrier II wing

A computational fluid dynamics (CFD) method is used to study the aerodynamics of the YAV-8B Harrier II wing in the transonic region. A numerical procedure is developed to compute the flow field around the complicated wing-pylon-fairing geometry. The surface definition of the wing and pylons were obtained from direct measurement using theodolite triangulation. A thin-layer Navier-Stokes code with the Chimera technique is used to compute flow solutions. The computed pressure distributions at several span stations are compared with flight test data and show good agreement. Computed results are correlated with flight test data that show the flow is severely separated in the vicinity of the wing-pylon junction. Analysis shows that shock waves are induced by pylon swaybrace fairings, that the flow separation is much stronger at the outboard pylon and that the separation is caused mainly by the crossflow passing the geometry of wing-pylon junction.

Gea, Lie-Mine↗

NASA NTRS1997

Constrained Multipoint Aerodynamic Shape Optimization Using an Adjoint Formulation and Parallel Computers

An aerodynamic shape optimization method that treats the design of complex aircraft configurations subject to high fidelity computational fluid dynamics (CFD), geometric constraints and multiple design points is described. The design process will be greatly accelerated through the use of both control theory and distributed memory computer architectures. Control theory is employed to derive the adjoint differential equations whose solution allows for the evaluation of design gradient information at a fraction of the computational cost required by previous design methods. The resulting problem is implemented on parallel distributed memory architectures using a domain decomposition approach, an optimized communication schedule, and the MPI (Message Passing Interface) standard for portability and efficiency. The final result achieves very rapid aerodynamic design based on a higher order CFD method. In order to facilitate the integration of these high fidelity CFD approaches into future multi-disciplinary optimization (NW) applications, new methods must be developed which are capable of simultaneously addressing complex geometries, multiple objective functions, and geometric design constraints. In our earlier studies, we coupled the adjoint based design formulations with unconstrained optimization algorithms and showed that the approach was effective for the aerodynamic design of airfoils, wings, wing-bodies, and complex aircraft configurations. In many of the results presented in these earlier works, geometric constraints were satisfied either by a projection into feasible space or by posing the design space parameterization such that it automatically satisfied constraints. Furthermore, with the exception of reference 9 where the second author initially explored the use of multipoint design in conjunction with adjoint formulations, our earlier works have focused on single point design efforts. Here we demonstrate that the same methodology may be extended to treat complete configuration designs subject to multiple design points and geometric constraints. Examples are presented for both transonic and supersonic configurations ranging from wing alone designs to complex configuration designs involving wing, fuselage, nacelles and pylons.

Reuther, James↗

NASA NTRS2002

Adjoint-Based, Three-Dimensional Error Prediction and Grid Adaptation

Engineering computational fluid dynamics (CFD) analysis and design applications focus on output functions (e.g., lift, drag). Errors in these output functions are generally unknown and conservatively accurate solutions may be computed. Computable error estimates can offer the possibility to minimize computational work for a prescribed error tolerance. Such an estimate can be computed by solving the flow equations and the linear adjoint problem for the functional of interest. The computational mesh can be modified to minimize the uncertainty of a computed error estimate. This robust mesh-adaptation procedure automatically terminates when the simulation is within a user specified error tolerance. This procedure for estimating and adapting to error in a functional is demonstrated for three-dimensional Euler problems. An adaptive mesh procedure that links to a Computer Aided Design (CAD) surface representation is demonstrated for wing, wing-body, and extruded high lift airfoil configurations. The error estimation and adaptation procedure yielded corrected functions that are as accurate as functions calculated on uniformly refined grids with ten times as many grid points.

Park, Michael A.↗

NASA NTRS1996

A Comparison of Computational Aeroacoustic Prediction Methods for Transonic Rotor Noise

This paper compares two methods for predicting transonic rotor noise for helicopters in hover and forward flight. Both methods rely on a computational fluid dynamics (CFD) solution as input to predict the acoustic near and far fields. For this work, the same full-potential rotor code has been used to compute the CFD solution for both acoustic methods. The first method employs the acoustic analogy as embodied in the Ffowcs Williams-Hawkings (FW-H) equation, including the quadrupole term. The second method uses a rotating Kirchhoff formulation. Computed results from both methods are compared with one other and with experimental data for both hover and advancing rotor cases. The results are quite good for all cases tested. The sensitivity of both methods to CFD grid resolution and to the choice of the integration surface/volume is investigated. The computational requirements of both methods are comparable; in both cases these requirements are much less than the requirements for the CFD solution.

Brentner, Kenneth S.↗

DOE OSTI2026

A methodology for domain overlapping coupling of thermal-hydraulic systems

Multi-scale coupling has increasingly drawn attention as a promising approach for modeling thermal systems. Traditional system codes provide fast and robust predictions at the plant scale, while high-fidelity computational fluid dynamics (CFD)-based tools resolve localized flow and heat transfer phenomena with greater accuracy. By combining these complementary strengths, co-simulations enable multi-scale analysis that would otherwise be computationally prohibitive for a standalone CFD code. Here, this work introduces a robust and problem-agnostic domain overlapping (DO) coupling between the system thermal-hydraulic (STH) code System Analysis Module (SAM) and the coarse-mesh CFD code Pronghorn. Both applications belong to the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite, a code suite in active development at the Idaho National Laboratory (INL), tailored for multi-physics analysis of advanced reactors. Unlike previous approaches, BlueCRAB supports an agnostic interface between codes based on different fidelity, while its coupling formulation can address arbitrary flow geometries with multiple inlets and outlets in coupled components. The implemented method leads to consistent pressure drops, enthalpies, and scalar concentrations between coupled SAM and Pronghorn simulations. The methodology is demonstrated through two verification tests, which ensure the numerical consistency and conservation across the codes, and through one validation test against experimental data. The proposed problems explore different physical aspects inherent to thermal systems, with particular attention given to nuclear reactor analysis. These include buoyancy-driven flows, complex flow patterns, and setups with multiple inlets and outlets, representing challenges in advanced reactor applications.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

Evaluation of CFD as a Surrogate for Wind Tunnel Testing - Experimental Uncertainty Quantification

A series of wind tunnel tests is being performed at the Unitary Plan Wind Tunnel at Langley Research Center to assess the validity of using computational fluid dynamics (CFD) as a surrogate for wind tunnel testing. In order to make proper comparisons, uncertainties in CFD results and experimental data must be well understood. The material presented will highlight the methods, assumptions, and elemental inputs used to achieve experimental uncertainty estimates for several variables of interest.The work performed to date has focused on gaining insight into random uncertainty via statistical analysis of repeat data and systematic uncertainty via Monte Carlo propagation analysis. These methods were combined using a second-order Monte Carlo propagation, resulting in a probability box (P-box) for each variable and at all conditions of interest. Figure 1 provides an example of one such P-box, showing the experimental uncertainty in a locally determined dynamic pressure (QC10) for one of many tunnel conditions evaluated during the Flow Survey experiment. This particular condition (Condition 27) has nominal set points of Mach number = 3.85, Reynolds number = 3x10(exp 6) ft(exp -1), total pressure = 5160 psfa, and total temperature = 150°F. The uncertainty in dynamic pressure at this condition is now well defined by this plot. Armed with this experimental data uncertainty, meaningful comparisons can be made with computational results, when their associated uncertainties are also considered.

Heather P Houlden↗

NASA NTRS2000

Unsteady Analysis of Inlet-Compressor Acoustic Interactions Using Coupled 3-D and 1-D CFD Codes

It is well known that the dynamic response of a mixed compression supersonic inlet is very sensitive to the boundary condition imposed at the subsonic exit (engine face) of the inlet. In previous work, a 3-D computational fluid dynamics (CFD) inlet code (NPARC) was coupled at the engine face to a 3-D turbomachinery code (ADPAC) simulating an isolated rotor and the coupled simulation used to study the unsteady response of the inlet. The main problem with this approach is that the high fidelity turbomachinery simulation becomes prohibitively expensive as more stages are included in the simulation. In this paper, an alternative approach is explored, wherein the inlet code is coupled to a lesser fidelity 1-D transient compressor code (DYNTECC) which simulates the whole compressor. The specific application chosen for this evaluation is the collapsing bump experiment performed at the University of Cincinnati, wherein reflections of a large-amplitude acoustic pulse from a compressor were measured. The metrics for comparison are the pulse strength (time integral of the pulse amplitude) and wave form (shape). When the compressor is modeled by stage characteristics the computed strength is about ten percent greater than that for the experiment, but the wave shapes are in poor agreement. An alternate approach that uses a fixed rise in duct total pressure and temperature (so-called 'lossy' duct) to simulate a compressor gives good pulse shapes but the strength is about 30 percent low.

Suresh, A.↗

NASA NTRS2015

ACTE Wing Loads Analysis

The Adaptive Compliant Trailing Edge (ACTE) project modified a Gulfstream III (GIII) aircraft with a new flexible flap that creates a seamless transition between the flap and the wing. As with any new modification, it is crucial to ensure that the aircraft will not become overstressed in flight. To test this, Star CCM a computational fluid dynamics (CFD) software program was used to calculate aerodynamic data for the aircraft at given flight conditions.

CFD↗

DOE OSTI2025

Modeling and simulation of multiphase flows

Multiphase flow can be found in a wide range of natural and industrial systems, such as sediment flow in rivers and coasts to pipeline transport, and reactors of all types. Computational fluid dynamics (CFD) modeling provides a rigorous physics-based method to visualize and quantify these flows and to assess their influence on their surroundings. This presentation will highlight computational research on two varied technologies in the energy sector: carbon capture and wellbore acoustics.

acoustic analysis↗

NASA NTRS1991

Computations of unsteady multistage compressor flows in a workstation environment

High-end graphics workstations are becoming a necessary tool in the Computational Fluid Dynamics (CFD) environment. In addition to their graphics capabilities, the latest generation of workstations have powerful floating point operation capabilities. As workstations become common, they could provide valuable computing time for applications, such as turbomachinery flow calculations. This paper discusses the issues involved in implementing an unsteady, viscous multistage turbomachinery code (STAGE-2) on workstations. The workstation version of STAGE-2 has then been used to study the effects of axial-gap spacing on the time-averaged and unsteady flow within a 2 1/2-stage compressor. Results include force polar plots, time-averaged pressure contours, standard deviation of pressure contours, time-averaged surface pressures and pressure amplitudes.

Gundy-Burlet, Karen L.↗

NASA NTRS2014

Training Knowledge Bots for Physics-Based Simulations Using Artificial Neural Networks

Millions of complex physics-based simulations are required for design of an aerospace vehicle. These simulations are usually performed by highly trained and skilled analysts, who execute, monitor, and steer each simulation. Analysts rely heavily on their broad experience that may have taken 20-30 years to accumulate. In addition, the simulation software is complex in nature, requiring significant computational resources. Simulations of system of systems become even more complex and are beyond human capacity to effectively learn their behavior. IBM has developed machines that can learn and compete successfully with a chess grandmaster and most successful jeopardy contestants. These machines are capable of learning some complex problems much faster than humans can learn. In this paper, we propose using artificial neural network to train knowledge bots to identify the idiosyncrasies of simulation software and recognize patterns that can lead to successful simulations. We examine the use of knowledge bots for applications of computational fluid dynamics (CFD), trajectory analysis, commercial finite-element analysis software, and slosh propellant dynamics. We will show that machine learning algorithms can be used to learn the idiosyncrasies of computational simulations and identify regions of instability without including any additional information about their mathematical form or applied discretization approaches.

Samareh, Jamshid A.↗

DOE OSTI2021

Demonstration of CFD to support the coupled analysis of a reactor pressure vessel subjected to pressurized thermal shock

The structural components that comprise nuclear reactors and their supporting structures are subjected to harsh operating environments that can challenge their integrity, especially after exposure for extended duration or under accident condition. As one of the most significant components of a reactor, the Reactor Pressure Vessel (RPV) is exposed to an aggressive environment during the operation time (e.g. more than 40 years). Aging degradation mechanisms (e.g. thermo-fatigue) could grow initial defects up to a critical size, increasing the susceptibility to failure in the RPV. The conventional methods are mostly based on simple crack and structure geometries. Very limited studies consider the real conditions of the RPV subjected to a thermal shock due to a Loss of Coolant Accident (LOCA). During a LOCA event, the most severe conditions take place when the emergency core cooling (ECC) water is injected inside the cold legs filled initially with hotter water and/or steam. The rapid cooling of the down-comer and the internal RPV surface followed probably by re-pressurization of the RPV causes large temperature gradients and variation of pressure which induces thermal-mechanical stresses. In order to develop the model for integrity assessment of a reactor pressure vessel (RPV) subjected to pressurized thermal shock (PTS), a multi-physics simulation, which includes the thermo-hydraulic, thermo-mechanical and fracture mechanics analyses is necessary. The prediction of the temperature field is achieved by using computational fluid dynamics (CFD) simulation. In this report, a demonstration CFD standalone simulation is performed to support coupled analysis for Reactor Pressure Vessel (RPV) subjected to Pressurized Thermal Shock (PTS). The study use a simplified computational domain to represents a real RPV. The purpose of the study is to demonstrate the transient temperature response of RPV to ECC injection. The CFD model is built in a robust and efficient way for further coupled calculation. The next steps of this work, including the coupled thermal and tensor mechanics capabilities using Cardinal are expected to be complete by the end of FY21 for the demo problem. After this, into FY22, the capability will be demonstrated for a realistic RPV.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1992

Requirements for facilities and measurement techniques to support CFD development for hypersonic aircraft

The design of a hypersonic aircraft poses unique challenges to the engineering community. Problems with duplicating flight conditions in ground based facilities have made performance predictions risky. Computational fluid dynamics (CFD) has been proposed as an additional means of providing design data. At the present time, CFD codes are being validated based on sparse experimental data and then used to predict performance at flight conditions with generally unknown levels of uncertainty. This paper will discuss the facility and measurement techniques that are required to support CFD development for the design of hypersonic aircraft. Illustrations are given of recent success in combining experimental and direct numerical simulation in CFD model development and validation for hypersonic perfect gas flows.

Sellers, William L., III↗

NASA NTRSDate not supplied

Numerical Simulations of an Axisymmetric Shock-Wave/Boundary-Layer Interaction

A series of Reynolds-averaged Navier-Stokes (RANS) simulations were performed of two Mach 2.5 axisymmetric shock-wave/boundary-layer interactions (SWBLIs) based off of the NASA Turbulent Computational Fluid Dynamics Validation Experiment (TCFDVE). The goals of the simulations were to (1) determine how well RANS can predict the flow physics of an axisymmetric SWBLI and (2) generate a new validation case for the NASA Turbulence Modeling Resource (TMR). The simulations were run with two different turbulence models and three different computational fluid dynamics (CFD) codes while looking at two different conical shock generator angles, one of which was shown to cause flow separation in the experiment. The results in this paper show that, as expected, the CFD simulations agreed well with each other and the experiment when SWBLI-induced separation was not present. When separation was present, differences in the predicted separation characteristics were noted. These included a stronger interaction and subsequently longer separation extent for the Menter Shear-Stress Transport k-ω (SST) turbulence model simulations compared to both the Spalart-Allmaras (SA) turbulence model simulations and the experiment.

Computational Fluid Dynamics↗

DOE OSTI2024

Enhanced Models for the Simulation of Two-Phase Boiling Flow and Critical Heat Flux with the STAR-CCM+ and NEK-2P CFD Codes: Executive Summary (Final Report)

The goal of the project was to develop, verify and validate an advanced two-phase boiling flow modeling capability that enhances the existing two-phase flow modeling of the STAR-CCM+ Computational Fluid Dynamics (CFD) code. The project focused on the simulation of two phase flow and heat transfer phenomena that occur in Boiling Water Reactor (BWR) and Pressurized Water Reactor (PWR) fuel bundles under various operating conditions. The extended STAR-CCM+ two-phase flow models implemented during the project follow the approach similar to the Extended Boiling Framework [1-6] previously developed at Argonne but include more fundamental physical models of boiling phenomena. The development and validation of the extended two-phase models is supported by the U.S. DOE GAIN program and performed in collaboration with Framatome U.S. Inc.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

A space-time parallel algorithm with adaptive mesh refinement for computational fluid dynamics

This work describes a space-time parallel algorithm with space-time adaptive mesh refinement (AMR). AMR with subcycling is added to multigrid reduction-in-time (MGRIT) in order to provide solution efficient adaptive grids with a reduction in work performed on coarser grids. This algorithm is achieved by integrating two software libraries: XBraid (Parallel time integration with multigrid. https://computation.llnl.gov/projects/parallel-timeintegration-multigrid) and Chombo (Chombo software package for AMR applications—design document, 2014). The former is a parallel time integration library using multigrid and the latter is a massively parallel structured AMR library. Employing this adaptive space-time parallel algorithm is Chord (Comput Fluids 123:202–217, 2015), a computational fluid dynamics (CFD) application code for solving compressible fluid dynamics problems. For the same solution accuracy, speedups are demonstrated from the use of space-time parallelization over the time-sequential integration on Couette flow and Stokes’ second problem. On a transient Couette flow case, at least a 1.5× speedup is achieved, and with a time periodic problem, a speedup of up to 13.7× over the time-sequential case is obtained. In both cases, the speedup is achieved by adding processors and exploring additional parallelization in time. The numerical experiments show the algorithm is promising for CFD applications that can take advantage of the time parallelism. Future work will focus on improving the parallel performance and providing more tests with complex fluid dynamics to demonstrate the full potential of the algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Seawater Acidification and Bubble Plume Dispersion from Accidental Subsea CO 2 Pipeline Rupture: A Multiphase CFD Study

If a CO 2 reservoir or transmission pipeline were to leak, both the surrounding ecology and maritime traffic safety could be put at risk. To better understand and prepare for this risk, multiphase Computational Fluid Dynamics (CFD) models were built in ANSYS Fluent to capture the behavior of a leak once it enters the water. A 3D Eulerian–Eulerian model was used for validation, while a simplified 2D model was applied to simulate conditions at a 50-m depth. The models integrate bubble dynamics, gas holdup, CO 2 dissolution, dissolved species transport, and seawater acidification into a unified CFD framework. Mass transfer was calculated using the Hughmark correlation, and local seawater temperature and salinity were factored in to determine dissociation behavior and the relevant Henry’s Law constant. To confirm the 3D model’s accuracy, results were checked against two experimental datasets: the QICS field study and the Hauser Tank experiments. The team also modeled a hypothetical release scenario at the High Island 10L site and compared the results with earlier published work. The results show that at a depth of 50 m, the surrounding water column can completely absorb a CO 2 release at a rate of 35 kg/s, since the gas dissolves into the seawater as it rises toward the surface. Beyond confirming this mitigation capacity, the simulations shed light on how a leak would actually unfold in the environment, including the shape and movement of the rising bubble plume, how much CO 2 dissolves along the way, and the resulting shifts in seawater pH and pCO 2 . Together, this provides a practical framework for assessing how CO 2 leaks could affect marine environments in the Gulf of Mexico.

54 ENVIRONMENTAL SCIENCES↗