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NASA NTRS2013

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel fl ow problem.

Morris, C. I.↗
NASA NTRS2013

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel ow problem.

Morris, Christopher I.↗
NASA NTRS1979

Recent progress in finite-volume calculations for wing-fuselage combinations

Progress in the application of finite-volume methods to the calculation of transonic potential flows past general wing-body combinations is reviewed. Two different methods of generating boundary-conforming grids are investigated, and the results compared to provide an estimate of solution sensitivity to grid geometry. Both conservative and quasi-conservative difference schemes are used in one of the coordinate systems. Results show that the error introduced by the quasi-conservative formulation seems to be small, although a one-dimensional analysis suggests that schemes of this type do not necessarily produce mass-conserving shocks. Comparison of calculated results with experimental data for realistic fuselage geometries clearly shows the importance of modelling the effect of fuselage geometry upon the wing pressure distribution.

Caughey, D. A.↗
NASA NTRS1995

Fractional Step and Pseudocompressibility Methods for the Solution of Incompressible Navier-Stokes Equations

The fractional step and the pseudocompressibility methods for the solution of the incompressible Navier-Stokes equations are outlined. The fractional step method is based on finite-volume formulation and uses the pressure and the volume fluxes across the faces of each cell as dependent variables. The momentum equations are solved implicitly and the Poisson equation for the pressure is solved by using the multigrid method. The pseudocompressibility approach uses an implicit-higher-order-upwind differencing scheme for the convective terms together with the Gauss-Seidel line relaxation method. The dependent variables in the pseudocompressibility approach are the pressure and the cartesian velocity components in unstaggered mesh orientation. The 90-degree square duct flow, the wing-tip vortex wake flow and unsteady turbulent flows over an oscillating NACA 0015 airfoil are computed using both the fractional step and the pseudocompressibility methods. The results obtained from two different schemes are compared against experimental measurements.

Kiris, Cetin↗
NASA NTRS2004

Further Improvement in 3DGRAPE

3DGRAPE/AL:V2 denotes version 2 of the Three-Dimensional Grids About Anything by Poisson's Equation with Upgrades from Ames and Langley computer program. The preceding version, 3DGRAPE/AL, was described in Improved 3DGRAPE (ARC-14069) NASA Tech Briefs, Vol. 21, No. 5 (May 1997), page 66. These programs are so named because they generate volume grids by iteratively solving Poisson's Equation in three dimensions. The grids generated by the various versions of 3DGRAPE have been used in computational fluid dynamics (CFD). The main novel feature of 3DGRAPE/AL:V2 is the incorporation of an optional scheme in which anisotropic Lagrange-based trans-finite interpolation (ALBTFI) is coupled with exponential decay functions to compute and blend interior source terms. In the input to 3DGRAPE/AL:V2 the user can specify whether or not to invoke ALBTFI in combination with exponential-decay controls, angles, and cell size for controlling the character of grid lines. Of the known programs that solve elliptic partial differential equations for generating grids, 3DGRAPE/AL:V2 is the only code that offers a combination of speed and versatility with most options for controlling the densities and other characteristics of grids for CFD.

Alter, Stephen↗
NASA NTRS1977

Numerical calculation of transonic flow past a swept wing by a finite volume method

The utility of numerical methods for predicting transonic flows over wings and bodies is well established. The computer program FLO22, based on a method presented earlier, has actually been widely used to calculate the aerodynamic performance of wings of transport aircraft. Provided that a correction is made for the displacement effect of the viscous boundary layer, this code has been found to give predictions which are accurate enough to serve as a useful design guide. The main disadvantages of the scheme used in FLO22 are the use of nonconservative difference formulas, which result in a failure to satisfy conservation of mass across shock waves, and the difficulty of finding suitable transformations of coordinates to permit the treatment of more complex geometric configurations. The method described here is an attempt to overcome these shortcomings, while retaining the successful features of the previous method. The basic idea is to use a discrete approximation which directly represents a balance of the mass flow through small volume elements. This leads to a relatively simple treatment of the potential flow equation in conservation form.

Jameson, A.↗
NASA NTRS1989

An algebraic homotopy method for generating quasi-three-dimensional grids for high-speed configurations

A fast and versatile procedure for algebraically generating boundary conforming computational grids for use with finite-volume Euler flow solvers is presented. A semi-analytic homotopic procedure is used to generate the grids. Grids generated in two-dimensional planes are stacked to produce quasi-three-dimensional grid systems. The body surface and outer boundary are described in terms of surface parameters. An interpolation scheme is used to blend between the body surface and the outer boundary in order to determine the field points. The method, albeit developed for analytically generated body geometries is equally applicable to other classes of geometries. The method can be used for both internal and external flow configurations, the only constraint being that the body geometries be specified in two-dimensional cross-sections stationed along the longitudinal axis of the configuration. Techniques for controlling various grid parameters, e.g., clustering and orthogonality are described. Techniques for treating problems arising in algebraic grid generation for geometries with sharp corners are addressed. A set of representative grid systems generated by this method is included. Results of flow computations using these grids are presented for validation of the effectiveness of the method.

Moitra, Anutosh↗
NASA NTRS1993

A new flux conserving Newton's method scheme for the two-dimensional, steady Navier-Stokes equations

A new numerical method is developed for the solution of the two-dimensional, steady Navier-Stokes equations. The method that is presented differs in significant ways from the established numerical methods for solving the Navier-Stokes equations. The major differences are described. First, the focus of the present method is on satisfying flux conservation in an integral formulation, rather than on simulating conservation laws in their differential form. Second, the present approach provides a unified treatment of the dependent variables and their unknown derivatives. All are treated as unknowns together to be solved for through simulating local and global flux conservation. Third, fluxes are balanced at cell interfaces without the use of interpolation or flux limiters. Fourth, flux conservation is achieved through the use of discrete regions known as conservation elements and solution elements. These elements are not the same as the standard control volumes used in the finite volume method. Fifth, the discrete approximation obtained on each solution element is a functional solution of both the integral and differential form of the Navier-Stokes equations. Finally, the method that is presented is a highly localized approach in which the coupling to nearby cells is only in one direction for each spatial coordinate, and involves only the immediately adjacent cells. A general third-order formulation for the steady, compressible Navier-Stokes equations is presented, and then a Newton's method scheme is developed for the solution of incompressible, low Reynolds number channel flow. It is shown that the Jacobian matrix is nearly block diagonal if the nonlinear system of discrete equations is arranged approximately and a proper pivoting strategy is used. Numerical results are presented for Reynolds numbers of 100, 1000, and 2000. Finally, it is shown that the present scheme can resolve the developing channel flow boundary layer using as few as six to ten cells per channel width, depending on the Reynolds number.

Scott, James R.↗
NASA NTRS1996

A Computational Fluid Dynamic and Heat Transfer Model for Gaseous Core and Gas Cooled Space Power and Propulsion Reactors

A computational model based on the axisymmetric, thin-layer Navier-Stokes equations is developed to predict the convective, radiation and conductive heat transfer in high temperature space nuclear reactors. An implicit-explicit, finite volume, MacCormack method in conjunction with the Gauss-Seidel line iteration procedure is utilized to solve the thermal and fluid governing equations. Simulation of coolant and propellant flows in these reactors involves the subsonic and supersonic flows of hydrogen, helium and uranium tetrafluoride under variable boundary conditions. An enthalpy-rebalancing scheme is developed and implemented to enhance and accelerate the rate of convergence when a wall heat flux boundary condition is used. The model also incorporated the Baldwin and Lomax two-layer algebraic turbulence scheme for the calculation of the turbulent kinetic energy and eddy diffusivity of energy. The Rosseland diffusion approximation is used to simulate the radiative energy transfer in the optically thick environment of gas core reactors. The computational model is benchmarked with experimental data on flow separation angle and drag force acting on a suspended sphere in a cylindrical tube. The heat transfer is validated by comparing the computed results with the standard heat transfer correlations predictions. The model is used to simulate flow and heat transfer under a variety of design conditions. The effect of internal heat generation on the heat transfer in the gas core reactors is examined for a variety of power densities, 100 W/cc, 500 W/cc and 1000 W/cc. The maximum temperature, corresponding with the heat generation rates, are 2150 K, 2750 K and 3550 K, respectively. This analysis shows that the maximum temperature is strongly dependent on the value of heat generation rate. It also indicates that a heat generation rate higher than 1000 W/cc is necessary to maintain the gas temperature at about 3500 K, which is typical design temperature required to achieve high efficiency in the gas core reactors. The model is also used to predict the convective and radiation heat fluxes for the gas core reactors. The maximum value of heat flux occurs at the exit of the reactor core. Radiation heat flux increases with higher wall temperature. This behavior is due to the fact that the radiative heat flux is strongly dependent on wall temperature. This study also found that at temperature close to 3500 K the radiative heat flux is comparable with the convective heat flux in a uranium fluoride failed gas core reactor.

Anghaie, S.↗
NASA NTRS1989

The MHOST finite element program: 3-D inelastic analysis methods for hot section components. Volume 3: Systems' manual

The internal structure is discussed of the MHOST finite element program designed for 3-D inelastic analysis of gas turbine hot section components. The computer code is the first implementation of the mixed iterative solution strategy for improved efficiency and accuracy over the conventional finite element method. The control structure of the program is covered along with the data storage scheme and the memory allocation procedure and the file handling facilities including the read and/or write sequences.

Nakazawa, Shohei↗
NASA NTRS2001

Investigation of Conjugate Heat Transfer in Turbine Blades and Vanes

We report on work carried out to develop a 3-D coupled Finite Volume/BEM-based temperature forward/flux back (TFFB) coupling algorithm to solve the conjugate heat transfer (CHT) which arises naturally in analysis of systems exposed to a convective environment. Here, heat conduction within a structure is coupled to heat transfer to the external fluid which is convecting heat into or out of the solid structure. There are two basic approaches to solving coupled fluid structural systems. The first is a direct coupling where the solution of the different fields is solved simultaneously in one large set of equations. The second approach is a loose coupling strategy where each set of field equations is solved to provide boundary conditions for the other. The equations are solved in turn until an iterated convergence criterion is met at the fluid-solid interface. The loose coupling strategy is particularly attractive when coupling auxiliary field equations to computational fluid dynamics codes. We adopt the latter method in which the BEM is used to solve heat conduction inside a structure which is exposed to a convective field which in turn is resolved by solving the NASA Glenn compressible Navier-Stokes finite volume code Glenn-HT. The BEM code features constant and bi-linear discontinuous elements and an ILU-preconditioned GMRES iterative solver for the resulting non-symmetric algebraic set arising in the conduction solution. Interface of flux and temperature is enforced at the solid/fluid interface, and a radial-basis function scheme is used to interpolated information between the CFD and BEM surface grids. Additionally, relaxation is implemented in passing the fluxes from the conduction solution to the fluid solution. Results from a simple test example are reported.

Kassab, A. J.↗
DOE OSTI2026

thornado+FLASH-X: A Hybrid Discontinuous Galerkin–Implicit-explicit and Finite-volume Framework for Neutrino-radiation Hydrodynamics in Core-collapse Supernovae

We present neutrino-transport algorithms implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado) and their coupling to self-gravitating hydrodynamics within the adaptive mesh refinement–based multiphysics simulation framework FLASH-X. thornado, developed primarily for simulations of core-collapse supernovae (CCSNe), employs a spectral, six-species two-moment formulation with algebraic closure and special-relativistic observer corrections accurate to $\mathcal{O}(v/c)$, and uses discontinuous Galerkin (DG) methods for phase-space discretization combined with implicit-explicit time stepping. A key development is a nonlinear neutrino–matter coupling algorithm based on nested fixed-point iteration with Anderson acceleration, enabling fully implicit treatment of collisional processes, including energy-coupling interactions such as neutrino–electron scattering and pair production. Coupling to finite-volume (FV) hydrodynamics is achieved through a hybrid DG-FV representation of the fluid variables and operator-split evolution within FLASH-X. The implementation is verified using basic transport tests with idealized opacities and relaxation and deleptonization problems with tabulated microphysics. Spherically symmetric CCSN simulations demonstrate accuracy and robustness of the coupled scheme, including close agreement with the CCSN simulation code Chimera. An axisymmetric CCSN simulation further demonstrates the viability of DG-based neutrino transport for multidimensional supernova modeling within FLASH-X. thornado’s neutrino-transport solver is GPU-enabled using OpenMP offloading or OpenACC, and all CCSN applications included in this work use the GPU implementation. Together, these results establish a foundation for future enhancements in physics fidelity, numerical algorithms, and computational performance, for increasingly realistic large-scale CCSN simulations.

Endeve, Eirik [Oak Ridge National Laboratory (ORNL↗
NASA NTRS1991

Computational aspects of chemically reacting flows

An implicit, time-dependent approach is taken to solve the inviscid conservative equations in a vertex-based finite-volume formulation. The convective fluxes are estimated by a modified Riemann solver, and higher-order accuracy is obtained by means of the MUSCL. Implicit techniques are adopted to deal with the equation stiffness as a result of the clustered grid and chemical source term. The real-gas Roe matrix and the ADI and LU schemes have been tested on the sample problems: hypersonic flow over blunt configurations, such as the forebody of a double ellipse, and the near wake of a conic aerobrake. Temperature distribution and standoff distance are validated against the shock-fitting, central-differencing results. Equilibrium temperature may be recovered by artificially increasing the chemical rates at the wall. The present method satisfactorily resolves the flow structure, including the strong expansion behind the flat base. The relative merits and performance of the real-gas TVD and implicit schemes are discussed briefly.

Li, C. P.↗
NASA NTRS2003

Algorithmic Enhancements to the VULCAN Navier-Stokes Solver

VULCAN (Viscous Upwind aLgorithm for Complex flow ANalysis) is a cell centered, finite volume code used to solve high speed flows related to hypersonic vehicles. Two algorithms are presented for expanding the range of applications of the current Navier-Stokes solver implemented in VULCAN. The first addition is a highly implicit approach that uses subiterations to enhance block to block connectivity between adjacent subdomains. The addition of this scheme allows more efficient solution of viscous flows on highly-stretched meshes. The second algorithm addresses the shortcomings associated with density-based schemes by the addition of a time-derivative preconditioning strategy. High speed, compressible flows are typically solved with density based schemes, which show a high level of degradation in accuracy and convergence at low Mach numbers (M less than or equal to 0.1). With the addition of preconditioning and associated modifications to the numerical discretization scheme, the eigenvalues will scale with the local velocity, and the above problems will be eliminated. With these additions, VULCAN now has improved convergence behavior for multi-block, highly-stretched meshes and also can solve the Navier-Stokes equations for very low Mach numbers.

Litton, D. K.↗
NASA NTRS1981

Full potential solution of transonic quasi-3-D flow through a cascade using artificial compressability

The three-dimensional flow in a turbomachinery blade row was approximated by correcting for streamtube convergence and radius change in the throughflow direction. The method is a fully conservative solution of the full potential equation incorporating the finite volume technique on body fitted periodic mesh, with an artificial density imposed in the transonic region to insure stability and the capture of shock waves. Comparison of results for several supercritical blades shows good agreement with their hodograph solutions. Other calculations for these profiles as well as standard NACA blade sections indicate that this is a useful scheme analyzing both the design and off-design performance of turbomachinery blading.

Farrell, C.↗
DOE OSTI2026

Seamlessly joining length scales: From atomistic thermal graphs to anisotropic continuum conductivity

Thermal transport in complex solids is governed by local structure, defects, and anisotropy, yet most continuum models still rely on oversimplified and homogenized conductivities. Here, we bridge atomistic and continuum descriptions by building finite element (FE) models directly from the site-projected thermal conductivity (SPTC), an atomic-level decomposition of the Green–Kubo thermal conductivity. We introduce a toolkit, the “Simulator Collection for Atomic-to-Continuum Scales (SCACS)”, which uses a graph neural network to predict SPTC on large atomic structures, coarse-grains these fields into anisotropic conductivity tensors, and embeds them into the heat-flow FE equation with a customized, anisotropy-aware adaptive mesh refinement scheme. Applied to silicon nanostructures, the resulting FE models act as representative volume elements, reproduce bulk conductivities, and capture interfacial and defect-driven anisotropy while maintaining thermodynamic consistency. Additionally, SCACS predicts experimental conductance trends and fields. This work demonstrates a general route for transferring atomistic transport information into device-scale thermal simulations with physics-based approximations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Real-time estimators for scattering observables: A full account of finite-volume errors for quantum simulation

The real-time correlators of quantum field theories can be directly probed through new approaches to simulation, such as quantum computing and tensor networks. This provides a new framework for computing scattering observables in lattice formulations of strongly interacting theories, such as lattice quantum chromodynamics. In this paper, we prove that the proposal of real-time estimators of scattering observables is universally applicable to all scattering observables of gapped quantum field theories. All finite-volume errors are exponentially suppressed, and the rate of this suppression is controlled by the regulator considered, namely, a displacement of the spectrum of the theory into the complex plane. A partial restoration of Lorentz symmetry by averaging over different boosts gives an additional suppression of finite volume errors. Our results also apply to the simulation of wave packet scattering, where a similar averaging is performed to construct the wave packets that regulate the finite volume effects. This result represents a necessary key step toward determining a broad class of scattering observables via quantum computing that are currently inaccessible via classical computing. Such observables are relevant for various applications, including hadron spectroscopy, hadron structure, and precision tests of the Standard Model. We also comment on potential applications of our results to traditional computational schemes.

Burbano, Ivan M. [University of California, Berkel↗
NASA NTRS1985

Computing with high-resolution upwind schemes for hyperbolic equations

Computational aspects of modern high-resolution upwind finite-difference schemes for hyperbolic systems of conservation laws are examined. An operational unification is demonstrated for constructing a wide class of flux-difference-split and flux-split schemes based on the design principles underlying total variation diminishing (TVD) schemes. Consideration is also given to TVD scheme design by preprocessing, the extension of preprocessing and postprocessing approaches to general control volumes, the removal of expansion shocks and 'glitches', relaxation methods for implicit TVD schemes, and a new family of high-accuracy TVD schemes.

Chakravarthy, S. R.↗