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DOE OSTI2025

Challenge Problem 1: Preliminary Results of the Direct Numerical Simulation of Transient Flows

This report presents the first direct numerical simulations (DNS) of transient mixed convection in an idealized downcomer-like channel (Challenge Problem 1, Phase II). Using the GPU-accelerated NekRS solver, we modeled a sudden decay in driving pressure, mimicking loss-of-flow events, and tracked the resulting evolution of Reynolds number, boundary-layer structure, turbulence statistics, and heat-transfer metrics. Key findings include the systematic thickening and eventual asymmetry of velocity and thermal boundary layers under buoyant deceleration; minimal “memory” lag in Reynolds shear stress and TKE profiles when sampled at matching Re, yet clear shifts of peak locations toward the cooled wall; overshoots in transient eddy-viscosity and eddy-diffusivity (and corresponding sub-unity turbulent Prandtl numbers) on the cooled side; and a pronounced transient Nusselt-number enhancement driven by wall-temperature inertia and residual eddy mixing. These effects combined to offer a temporary cooling margin above steady-state predictions during reactor LOF transients. Future work will extend this work to a more complex “Case II” geometry (90° turn + lower plenum) and generate multi-Re/Pr datasets for data-driven turbulence closures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1987

Studies of vortex dominated flows; Proceedings of the Symposium, Hampton, VA, July 9-11, 1985

Papers are presented on waves and bifurcations in vortex filaments, a ring-vortex representation of an axisymmetric vortex sheet, and comparison of experiment with the dynamics of the von Karman vortex trail. Also considered are force-free and loss-free transitions between vortex flow states, a vortex breakdown simulation based on a nonlinear inviscid method, and the prediction of highly vortical flows using an Euler equation model. Other topics include the theory of high-Reynolds-number flow past a blunt body, progress on the calculation of large-scale separation at high Reynolds numbers, and viscous-inviscid interaction solvers and computation of highly separated flows. Papers are also presented on simulation studies of vortex dynamics of a leading edge vortex flap, methods for numerical simulation of leading edge vortex flow, and comparison of measured and computed pitot pressures in a leading edge vortex from a delta wing.

Hussaini, M. Y.↗

NASA NTRS1996

Numerical Modeling of Spray Combustion with an Unstructured-Grid Method

The present unstructured-grid method follows strictly the basic finite volume forms of the conservation laws of the governing equations for the entire flow domain. High-order spatially accurate formulation has been employed for the numerical solutions of the Navier-Stokes equations. A two-equation k-epsilon turbulence model is also incorporated in the unstructured-grid solver. The convergence of the resulted linear algebraic equation is accelerated with preconditioned Conjugate Gradient method. A statistical spray combustion model has been incorporated into the present unstructured-grid solver. In this model, spray is represented by discrete particles, rather than by continuous distributions. A finite number of computational particles are used to predict a sample of total population of particles. Particle trajectories are integrated using their momentum and motion equations and particles exchange mass, momentum and energy with the gas within the computational cell in which they are located. The interaction calculations are performed simultaneously and eliminate global iteration for the two-phase momentum exchange. A transient spray flame in a high pressure combustion chamber is predicted and then the solution of liquid-fuel combusting flow with a rotating cup atomizer is presented and compared with the experimental data. The major conclusion of this investigation is that the unstructured-grid method can be employed to study very complicated flow fields of turbulent spray combustion. Grid adaptation can be easily achieved in any flow domain such as droplet evaporation and combustion zone. Future applications of the present model can be found in the full three-dimensional study of flow fields of gas turbine and liquid propulsion engine combustion chambers with multi-injectors.

Shang, H. M.↗

DOE OSTI2024

An Efficient Numerical Algorithm for Solving Coupled Time-Dependent Ginzburg-Landau Equation for Superconductivity and Elasticity

A decoupled finite element algorithm is developed for simulating the vortex dynamics on an elastic superconductor which couples the time-dependent Ginzburg- Landau equation with the complex-valued superconducting order parameter and the vector-valued magnetic potential, and the elasticity equation. We present an iterative algorithm for the decoupled system arising from the time and spatial discretization using a combination of preconditioner, algebraic multigrid method (AMG) and preconditioned conjugate gradient method (PCG). The iterative algorithm allows us to perform large-scale three-dimensional simulations of mesoscale pattern formation during superconducting phase transitions with arbitrary elastic boundary conditions. Here, the performance and efficiency of the algorithm are numerically verified by several benchmark problems, exhibiting up to two orders of magnitude improvement depending on the scale of discrete system compared to the exact solver.

Efficiency↗

NASA NTRSDate not supplied

Assessment of UMUSCL Scheme for DNS of Turbulent Flows

Direct numerical simulation (DNS) is performed using an unstructured node-based finite-volume methodology for canonical turbulent flow configurations to assess the effect of the upwinding parameter (κ) in the unstructured monotonic upstream scheme for conservation laws (UMUSCL) reconstruction scheme. The NASA FUN3D solver is used, and four turbulent validation cases are considered: periodic Taylor-Green vortex, (2) flow through a plane channel, (3) flow through a channel with a constriction, and (4) flow over a flat plate. The results are presented for κ = 0.5, 0.9 and 1 on hexahedral grids, with the last value corresponding to a zero-numerical dissipation scheme. Detailed comparisons with available reference data indicate that for the smallest length-scales simulated, κ = 0.5 is too dissipative while κ = 1 could lead to an energy build-up. Overall, κ =0.9 yields satisfactory results in terms of accuracy and robustness for all the cases considered in this study.

Direct Numerical Simulation↗

NASA NTRS2016

Modeling and Simulation of Radiative Compressible Flows in Aerodynamic Heating Arc-Jet Facility

Numerical simulations of an arc heated flow inside NASA's 20 [MW] Aerodynamics heating facility (AHF) are performed in order to investigate the three-dimensional swirling flow and the current distribution inside the wind tunnel. The plasma is considered in Local Thermodynamics Equilibrium(LTE) and is composed of Air-Argon gas mixture. The governing equations are the Navier-Stokes equations that include source terms corresponding to Joule heating and radiative cooling. The former is obtained by solving an electric potential equation, while the latter is calculated using an innovative massively parallel ray-tracing algorithm. The fully coupled system is closed by the thermodynamics relations and transport properties which are obtained from Chapman-Enskog method. A novel strategy was developed in order to enable the flow solver and the radiation calculation to be preformed independently and simultaneously using a different number of processors. Drastic reduction in the computational cost was achieved using this strategy. Details on the numerical methods used for space discretization, time integration and ray-tracing algorithm will be presented. The effect of the radiative cooling on the dynamics of the flow will be investigated. The complete set of equations were implemented within the COOLFluiD Framework. Fig. 1 shows the geometry of the Anode and part of the constrictor of the Aerodynamics heating facility (AHF). Fig. 2 shows the velocity field distribution along (x-y) plane and the streamline in (z-y) plane.

Pasma flows↗

DOE OSTI2015

A coupled ordinates method for solution acceleration of rarefied gas dynamics simulations

Non-equilibrium rarefied flows are frequently encountered in a wide range of applications, including atmospheric re-entry vehicles, vacuum technology, and microscale devices. Rarefied flows at the microscale can be effectively modeled using the ellipsoidal statistical Bhatnagar–Gross–Krook (ESBGK) form of the Boltzmann kinetic equation. Numerical solutions of these equations are often based on the finite volume method (FVM) in physical space and the discrete ordinates method in velocity space. However, existing solvers use a sequential solution procedure wherein the velocity distribution functions are implicitly coupled in physical space, but are solved sequentially in velocity space. This leads to explicit coupling of the distribution function values in velocity space and slows down convergence in systems with low Knudsen numbers. Furthermore, this also makes it difficult to solve multiscale problems or problems in which there is a large range of Knudsen numbers. In this paper, we extend the coupled ordinates method (COMET), previously developed to study participating radiative heat transfer, to solve the ESBGK equations. In this method, at each cell in the physical domain, distribution function values for all velocity ordinates are solved simultaneously. This coupled solution is used as a relaxation sweep in a geometric multigrid method in the spatial domain. Enhancements to COMET to account for the non-linearity of the ESBGK equations, as well as the coupled implementation of boundary conditions, are presented. The methodology works well with arbitrary convex polyhedral meshes, and is shown to give significantly faster solutions than the conventional sequential solution procedure. Acceleration factors of 5–9 are obtained for low to moderate Knudsen numbers on single processor platforms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Iterative methods in GPU-resident linear solvers for nonlinear constrained optimization

Linear solvers are major computational bottlenecks in a wide range of decision support and optimization computations. The challenges become even more pronounced on heterogeneous hardware, where traditional sparse numerical linear algebra methods are often inefficient. For example, methods for solving ill-conditioned linear systems have relied on conditional branching, which degrades performance on hardware accelerators such as graphical processing units (GPUs). To improve the efficiency of solving ill-conditioned systems, our computational strategy separates computations that are efficient on GPUs from those that need to run on traditional central processing units (CPUs). Our strategy maximizes the reuse of expensive CPU computations. Iterative methods, which thus far have not been broadly used for ill-conditioned linear systems, play an important role in our approach. In particular, we extend ideas from Arioli et al., (2007) to implement iterative refinement using inexact LU factors and flexible generalized minimal residual (FGMRES), with the aim of efficient performance on GPUs. In conclusion, we focus on solutions that are effective within broader application contexts, and discuss how early performance tests could be improved to be more predictive of the performance in a realistic environment.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Single Grid Error Estimation for Neutron Transport Solvers

The method of nearby problems (MNP) is a solution verification technique that does not require the use of multiple spatial grids. To estimate spatial discretization error without requiring a high-fidelity spatial grid, an analytical curve fit is interpolated from the numerical solution. The residual between the curve fit solution and numerical solution is calculated and added as an additional source term to the governing equation. The nearby solution is estimated using the updated source term and boundary conditions to remain consistent with the curve fit interpolation. The nearby solution can be compared to the curve fit solution as a discretization error estimation while using a single spatial grid. Without the use of higher fidelity spatial grids, the MNP is able to approximate the spatial discretization error, a facet of solution verification. The application of the method of nearby problems is presented for one- and two-dimensional neutron transport problems for both fixed source and criticality problems on the spatial variable. The fixed source results demonstrate the effectiveness of nearby problems for spatial error identification using the discrete ordinates method. Criticality results are shown to identify area of high spatial error for the C5G7 problem as well as for the discrete ordinates solver. A novel approach of combining the capabilities of Monte Carlo with the discrete ordinates nearby problems is presented for one- and two-dimensional fixed source problems. In conclusion, the MNP demonstrates its effectiveness at identifying spatial error on a single structured grid with a wide variety of neutron transport problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2009

Addition of Improved Shock-Capturing Schemes to OVERFLOW 2.1

Existing approximate Riemann solvers do not perform well when the grid is not aligned with strong shocks in the flow field. Three new approximate Riemann algorithms are investigated to improve solution accuracy and stability in the vicinity of strong shocks. The new algorithms are compared to the existing upwind algorithms in OVERFLOW 2.1. The new algorithms use a multidimensional pressure gradient based switch to transition to a more numerically dissipative algorithm in the vicinity of strong shocks. One new algorithm also attempts to artificially thicken captured shocks in order to alleviate the errors in the solution introduced by "stair-stepping" of the shock resulting from the approximate Riemann solver. This algorithm performed well for all the example cases and produced results that were almost insensitive to the alignment of the grid and the shock.

Burning, Pieter G.↗

DOE OSTI2017

iVPIC: A low-dispersion, energy-conserving relativistic PIC solver for LPI simulations

We have developed a novel low-dispersion, exactly energy-conserving PIC algorithm for the relativistic Vlasov-Maxwell system. The approach features an exact energy conservation theorem while preserving the favorable performance and numerical dispersion properties of explicit PIC. The new algorithm has the potential to enable much longer laser-plasma-interaction (LPI) simulations than are currently possible.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2009

Numerical Solutions for the CAWAPI Configuration on Unstructured Grids at NASA LaRC, United States

In support of the Cranked Arrow Wing Aerodynamic Project International (CAWAPI) with its goal of improving the Technology Readiness Level of flow solvers by comparing results with measured F-16XL-1 flight data, NASA Langley employed the TetrUSS unstructured grid solver, USM3D, to obtain solutions for all seven flight conditions of interest. A newly available solver version that incorporates a number of turbulence models, including the two-equation linear and non-linear k- , was used in this study. As a first test, a choice was made to utilize only a single grid resolution with the solver for the simulation of the different flight conditions. Comparisons are presented with three turbulence models in USM3D, flight data for surface pressure, boundary-layer profiles, and skin-friction distribution, as well as limited predictions from other solvers. A result of these comparisons is that the USM3D solver can be used in an engineering environment to predict vortex-flow physics on a complex configuration at flight Reynolds numbers with a two-equation linear k- turbulence model.

Lamar, John E.↗

DOE OSTI2026

Reformulating a Gurson-based dynamic damage model and demonstrating improved predictive power and numerical robustness

The original Tepla (TEnsile PLAsticity) ductile damage model, based on the Gurson yield surface, has long been used to model damage evolution and material failure under dynamic loading. Unfortunately, Tepla suffered from mesh sensitivity, numerical instability, and limited predictive capability. Here, we theoretically reformulate Tepla to address these issues. We especially focus on the prediction of porosity, which is the key state variable used for modeling ductile damage, as compared to more easily measured surface velocities, which are at best an indirect measure of damage. Key model changes include separating the viscosity during volumetric void growth from underlying shear strength behavior and switching to an iterative bisection solver. The new Tepla is then calibrated on incipient spall experiments on half-hard copper and tantalum, which demonstrate its ability to simultaneously fit the model to recovered porosity distributions and measured surface velocities, a stringent test. Improved numerical behavior, such as greatly reduced mesh sensitivity, is also shown in those simulations. Finally, the new Tepla model is applied to several high-explosive loaded, sweeping wave experiments, showing the ability of the model to predict behavior on tests with significantly different loading conditions and histories than the calibration data.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Sparse Approximate Multifrontal Factorization with Butterfly Compression for High-Frequency Wave Equations

In this work, we present a fast and approximate multifrontal solver for large-scale sparse linear systems arising from finite-difference, finite-volume or finite-element discretization of high-frequency wave equations. The proposed solver leverages the butterfly algorithm and its hierarchical matrix extension for compressing and factorizing large frontal matrices via graph-distance guided entry evaluation or randomized matrix-vector multiplication-based schemes. Complexity analysis and numerical experiments demonstrate $\mathcal{O}(N\log^2 N)$ computation and $\mathcal{O}(N)$ memory complexity when applied to an $N\times N$ sparse system arising from 3D high-frequency Helmholtz and Maxwell problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Large-scale 3D geoelectromagnetic modeling using parallel adaptive high-order finite element method

Here, we have investigated the use of the adaptive high-order finite-element method (FEM) for geoelectromagnetic modeling. Because high-order FEM is challenging from the numerical and computational points of view, most published finite-element studies in geoelectromagnetics use the lowest order formulation. Solution of the resulting large system of linear equations poses the main practical challenge. We have developed a fully parallel and distributed robust and scalable linear solver based on the optimal block-diagonal and auxiliary space preconditioners. The solver was found to be efficient for high finite element orders, unstructured and nonconforming locally refined meshes, a wide range of frequencies, large conductivity contrasts, and number of degrees of freedom (DoFs). Furthermore, the presented linear solver is in essence algebraic; i.e., it acts on the matrix-vector level and thus requires no information about the discretization, boundary conditions, or physical source used, making it readily efficient for a wide range of electromagnetic modeling problems. To get accurate solutions at reduced computational cost, we have also implemented goal-oriented adaptive mesh refinement. The numerical tests indicated that if highly accurate modeling results were required, the high-order FEM in combination with the goal-oriented local mesh refinement required less computational time and DoFs than the lowest order adaptive FEM.

58 GEOSCIENCES↗

NASA NTRS1990

The semidiscrete Galerkin finite element modeling of compressible viscous flow past an airfoil

The primary project was the numerical simulation, by a finite element/finite difference method, of the viscous flow about an airfoil. The secondary project involved the numerical simulation of the three-dimensional separated and vortex-dominated flow about a hemispherically capped cylinder in the transonic regime. Preliminary calculations were started for the hemisphere-cylinder at 0 and 5 degree angle of attack. The solution of the flow field about airfoils and wings is required to determine the important parameters of lift, moment, and drag. Viscous effects must be accounted for if the drag is to be accurately calculated. At present there are basically two approaches to the numerical simulation of the flow field, the use of fully viscous models and the inviscid/viscous models. The fully viscous models require the solution of an approximation of the Navier-Stokes equations and therefore should simulate most of the physical mechanisms. A fast, accurate, and computationally efficient inviscid flow solver was recently developed by Hartwich. It is thought that Hartwich's program coupled to a fast, accurate, and computationally efficient boundary layer code, will make an excellent tool for airfoil design. The purpose of the primary project was to develop a compressible boundary layer code using the semidiscrete Galerkin finite element method. The numerical scheme employed used the combination of a Dorodnitsyn formulation of the boundary layer equations, with a finite difference/finite element procedure (semidiscrete Galerkin method), in the solution of the compressible two-dimensional boundary layer equations. A laminar compressible boundary layer code was developed and tested for a NACA 0012 airfoil at a Mach number of 0.5, a Reynolds number of 5000, and zero angle of attack. At present the boundary layer program solves up to, but not beyond, separation.

Meade, Andrew J.↗

NASA NTRS1992

Numerical investigation of performance degradation of wings and rotors due to icing

The aerodynamic load characteristics and the performance degradation of moderate aspect ratio wings and rotors with simulated glaze leading-edge ice have been studied using a three-dimensional, compressible Navier-Stokes solver. The effect of a splitter plate at the wing root on both clean and iced wing configurations has been studied and the results are compared with the experiment. A significant difference has been observed with and without splitter plates in the magnitude of flow separation and aerodynamic loading at the inboard stations for the iced wing at 8-deg angle of attack. Inviscid calculations were performed and compared with viscous calculations to investigate whether the performance of iced swept wings can be inexpensively predicted using Euler methods. It is shown that inviscid calculations predict higher aerodynamic loading than viscous calculations, and cannot model separation effects. A typical nonlifting helicopter rotor in forward flight condition is also studied, and the penalty due to the leading-edge ice formation on the required torque is numerically demonstrated.

Kwon, Oh J.↗

DOE OSTI2022

Verifying raytracing/Fokker–Planck lower-hybrid current drive predictions with self-consistent full-wave/Fokker–Planck simulations

Raytracing/Fokker–Planck (FP) simulations used to model lower-hybrid current drive (LHCD) often fail to reproduce experimental results, particularly when LHCD is weakly damped. A proposed reason for this discrepancy is the lack of ‘full-wave’ effects, such as diffraction and interference, in raytracing simulations and the breakdown of the raytracing approximation. Previous studies of LHCD using non-Maxwellian full-wave/FP simulations have been performed, but these simulations were not self-consistent and enforced power conservation between the FP and full-wave code using a numerical rescaling factor. Here, we have created a fully self-consistent full-wave/FP model for LHCD that is automatically power conserving. This was accomplished by coupling an overhauled version of the non-Maxwellian TORLH full-wave solver and the CQL3D FP code using the Integrated Plasma Simulator. We performed converged full-wave/FP simulations of Alcator C-Mod discharges and compared them with raytracing. We found that excellent agreement in the power deposition profiles from raytracing and TORLH could be obtained, however, TORLH had somewhat lower current drive efficiency and broader power deposition profiles in some cases. This discrepancy appears to be a result of numerical limitations present in the TORLH model and a small amount of diffractional broadening of the TORLH wave spectrum. Our results suggest full-wave simulation of LHCD is likely not necessary as diffraction and interference represented only a small correction that could not account for the differences between simulations and experiment.

Physics↗