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NASA NTRS1992

Turbulent transport of a passive-scalar field by using a renormalization-group method

A passive-scalar field is considered to evolve under the influence of a turbulent fluid governed by the Navier-Stokes equation. Turbulent-transport coefficients are calculated by small-scale elimination using a renormalization-group method. Turbulent processes couple both the viscosity and the diffusivity. In the absence of any correlation between the passive-scalar fluctuations and any component of the fluid velocity, the renormalized diffusivity is essentially the same as if the fluid velocity were frozen, although the renormalized equation does contain higher-order nonlinear terms involving viscosity. This arises due to the nonlinear interaction of the velocity with itself. In the presence of a finite correlation, the turbulent diffusivity becomes coupled with both the velocity field and the viscosity. There is then a dependence of the turbulent decay of the passive scalar on the turbulent Prandtl number.

Hossain, Murshed↗

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

Morris, Christopher I.↗

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 NTRS1994

Theoretical studies of a molecular beam generator

We consider the problem of modeling a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem is modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann population distribution which means that each degree of freedom has its own temperature and consequently each system state can be characterized by these temperatures. This suggests the formulation of a second model with a vibrational degree of freedom as having its own temperature along with a rotational-translational degree of freedom with its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas expands through the nozzle throat there is a sudden drop in the rotational-translational temperature along with a finite relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translational degree of freedom. That is, the temperature change that occurs when the N2 gas passes through the nozzle throat is so great that the changes in the vibrational degree of freedom lags behind the rotational-translational energy changes. The resulting relaxation time is finite. It is in this context that the term nonequilibrium is used. That is, the term nonequilibrium denotes the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions resulting from the high temperatures which could also add nonequilibrium effects. We develop the basic equations for the two models in various forms in order to check the derivations with other sources. The final form which is solved numerically consists of the scaled equations in a conservative dimensionless form.

Heinbockel, John H.↗

NASA NTRS1996

A Mixed Finite Volume Element Method for Flow Calculations in Porous Media

A key ingredient in the simulation of flow in porous media is the accurate determination of the velocities that drive the flow. The large scale irregularities of the geology, such as faults, fractures, and layers suggest the use of irregular grids in the simulation. Work has been done in applying the finite volume element (FVE) methodology as developed by McCormick in conjunction with mixed methods which were developed by Raviart and Thomas. The resulting mixed finite volume element discretization scheme has the potential to generate more accurate solutions than standard approaches. The focus of this paper is on a multilevel algorithm for solving the discrete mixed FVE equations. The algorithm uses a standard cell centered finite difference scheme as the 'coarse' level and the more accurate mixed FVE scheme as the 'fine' level. The algorithm appears to have potential as a fast solver for large size simulations of flow in porous media.

Jim E Jones↗

DOE OSTI2021

Stratigraphic Identification with Airborne Electromagnetic Methods at the Hanford Site, Washington

Stratigraphic units can influence the fate and transport of subsurface contaminants within groundwater. Units having coarse-grained sediments act as preferential flow pathways, and therefore can accelerate the transport of contaminants to reach human and ecological receptors. At legacy waste sites, detailed knowledge of subsurface stratigraphy can be used for effective monitoring and remediation planning to help minimize risk to human health and the environment. Airborne electromagnetic (AEM) methods can non-invasively provide information on kilometer-scale or larger subsurface stratigraphic features and fill informational gaps in directly sampled data from sparsely located boreholes. In this paper, we present inversion results of a 412 line-km frequency-domain AEM survey to delineate subsurface stratigraphic features at the Hanford Site, located in southeastern Washington State. The inversion was performed using a massively parallel 3D electromagnetic modeling and inversion code, where the modeling is based on solving frequency-domain Maxwell’s equations using an unstructured-mesh finite-element method and the inversion employs a Gauss-Newton optimization scheme. The results are compared to an underlying geologic framework model (GFM), built by interpolating contact depths of stratigraphic units interpreted from site borehole datasets. In areas with good borehole coverage, the inversion results show a good match with the GFM to a depth of about 60 m. Outside of these areas, the inversion results exhibit inconsistencies from the assumptions made to create the GFM, demonstrating that the AEM survey results can be used to improve the understanding of the geological conceptual model.

47 OTHER INSTRUMENTATION↗

NASA NTRS1990

Self-similar perturbations of a Friedmann universe

The present analysis of spherically symmetric self-similar solutions to the Einstein equations gives attention to those solutions that are asymptotically k = 0 Friedmann at large z values, and possess finite but perturbed density at the origin. Such solutions represent nonlinear density fluctuations which grow at the same rate as the universe's particle horizon. The overdense solutions span only a narrow range of parameters, and resemble static isothermal gas spheres just within the sonic point; the underdense solutions may have arbitrarily low density at the origin while exhibiting a unique relationship between amplitude and scale. Their relevance to large-scale void formation is considered.

Carr, Bernard J.↗

DOE OSTI2023

Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation

Here, extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) in its most recent shadow potential energy version has been implemented in the semiempirical PyTorch-based software PySeQM. The implementation includes finite electronic temperatures, canonical density matrix perturbation theory, and an adaptive Krylov subspace approximation for the integration of the electronic equations of motion within the XL-BOMB approach (KSA-XL-BOMD). The PyTorch implementation leverages the use of GPU and machine learning hardware accelerators for the simulations. The new XL-BOMD formulation allows studying more challenging chemical systems with charge instabilities and low electronic energy gaps. The current public release of PySeQM continues our development of modular architecture for large-scale simulations employing semi-empirical quantum-mechanical treatment. Applied to molecular dynamics, simulation of 840 carbon atoms, one integration time step executes in 4 s on a single Nvidia RTX A6000 GPU.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1987

Hypercube matrix computation task

The Hypercube Matrix Computation (Year 1986-1987) task investigated the applicability of a parallel computing architecture to the solution of large scale electromagnetic scattering problems. Two existing electromagnetic scattering codes were selected for conversion to the Mark III Hypercube concurrent computing environment. They were selected so that the underlying numerical algorithms utilized would be different thereby providing a more thorough evaluation of the appropriateness of the parallel environment for these types of problems. The first code was a frequency domain method of moments solution, NEC-2, developed at Lawrence Livermore National Laboratory. The second code was a time domain finite difference solution of Maxwell's equations to solve for the scattered fields. Once the codes were implemented on the hypercube and verified to obtain correct solutions by comparing the results with those from sequential runs, several measures were used to evaluate the performance of the two codes. First, a comparison was provided of the problem size possible on the hypercube with 128 megabytes of memory for a 32-node configuration with that available in a typical sequential user environment of 4 to 8 megabytes. Then, the performance of the codes was anlyzed for the computational speedup attained by the parallel architecture.

Calalo, R.↗

NASA NTRS1987

Nearly two-dimensional solutions of Euler's equations

Motivated by a stretched version of the Taylor-Green initial-value problem for the Euler and Navier-Stokes equations, nearly two-dimensional incompressible flows are considered involving a single direction of slow spatial variation. A multiple-scale formulation of the problem leads by contour averaging to a system that determines the slow development in space and time. It is shown that the latter system is equivalent to an axisymmetric problem with nonstandard connection between circulation, cylindrical radius, and angular velocity component. Special solutions of the system in the exact axisymmetric case suggest that near-two-dimensionality is lost in finite time.

Childress, Stephen↗

NASA NTRS1997

Multi-Body Analysis of a Tiltrotor Configuration

The paper describes the aeroelastic analysis of a tiltrotor configuration. The 1/5 scale wind tunnel semispan model of the V-22 tiltrotor aircraft is considered. The analysis is performed by means of a multi-body code, based on an original formulation. The differential equilibrium problem is stated in terms of first order differential equations. The equilibrium equations of every rigid body are written, together with the definitions of the momenta. The bodies are connected by kinematic constraints, applied in form of Lagrangian multipliers. Deformable components are mainly modelled by means of beam elements, based on an original finite volume formulation. Multi-disciplinar problems can be solved by adding user-defined differential equations. In the presented analysis the equations related to the control of the swash-plate of the model are considered. Advantages of a multi-body aeroelastic code over existing comprehensive rotorcraft codes include the exact modelling of the kinematics of the hub, the detailed modelling of the flexibility of critical hub components, and the possibility to simulate steady flight conditions as well as wind-up and maneuvers. The simulations described in the paper include: 1) the analysis of the aeroelastic stability, with particular regard to the proprotor/pylon instability that is peculiar to tiltrotors, 2) the determination of the dynamic behavior of the system and of the loads due to typical maneuvers, with particular regard to the conversion from helicopter to airplane mode, and 3) the stress evaluation in critical components, such as the pitch links and the conversion downstop spring.

Ghiringhelli, G. L.↗

DOE OSTI2022

Application of linear prolongation to coarse mesh finite difference acceleration in CASMO5

The Coarse-Mesh Finite Difference (CMFD) method has been used for over a decade to accelerate the convergence of the Method of Characteristics (MOC) solution to the two- dimensional particle transport equation in CASMO5. Numerical testing, along with widespread use in production-level calculations, have shown that the current CMFD implementation provides stability and robustness for a wide range of realistic reactor physics problems. However, the recent development of linear prolongation has attracted attention from the community as a way to further improve the performance and stability of CMFD. Two interpolation methods for linear prolongation are presented in this work and implemented into a test version of CASMO5. The performance of the proposed interpolations, referred to as the bilinear and linear directional schemes, is evaluated in terms of runtime relative to the default constant or uniform scaling update. Numerical results indicate that the use of linear prolongation can reduce the transport solver runtime on average by approximately 10% when tested with two hundred randomly selected cases. The new directional linear interpolation, combined with default constant boundary updates, is found to provide the highest reduction in runtime for the cases analyzed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1991

A combined finite element-boundary element formulation for solution of axially symmetric bodies

A new method is presented for the computation of electromagnetic scattering from axially symmetric bodies. To allow the simulation of inhomogeneous cross sections, the method combines the finite element and boundary element techniques. Interior to a fictitious surface enclosing the scattering body, the finite element method is used which results in a sparce submatrix, whereas along the enclosure the Stratton-Chu integral equation is enforced. By choosing the fictitious enclosure to be a right circular cylinder, most of the resulting boundary integrals are convolutional and may therefore be evaluated via the FFT with which the system is iteratively solved. In view of the sparce matrix associated with the interior fields, this reduces the storage requirement of the entire system to O(N) making the method attractive for large scale computations. The details of the corresponding formulation and its numerical implementation are described.

Collins, Jeffrey D.↗

NASA NTRS1989

A posteriori estimates for shear correction factors in multilayered composite cylinders

A predictor-corrector approach is presented for calculating the composite shear correction factors and analyzing multilayered composite cylinders. In the predictor phase a two-dimensional first-order shear deformation theory is used to predict the gross response characteristics of the cylinder (vibration frequencies, average through-the-thickness displacements, rotations, and transverse shear strain energy per unit area) as well as the in-plane strains and stresses in the thickness direction. The three-dimensional equilibrium equations and constitutive relations are then used to compute the transverse stresses and strains as well as the transverse shear factors, and they are also used to correct the predicted response quantities of the cylinder. For simply supported multilayered cylinders the response quantities obtained by using the proposed approach are shown to be in close agreement with three-dimensional elasticity solutions for a wide range of lamination and geometric parameters. Also, the potential of the proposed approach for use in conjunction with large-scale finite element models of composite cylinders is outlined.

Noor, Ahmed K.↗

NASA NTRS1990

An efficient design sensitivity analysis of eigenvectors

Subspace iteration has been a major advance in solving large eigen problems when only a subset of eigen-pairs is required. The essence of this method is a transformation from displacement coordinates of an n-th order eigensystem to generalized coordinates of a smaller q-th order. The eigenvalue problem is then solved in the reduced space. The method was first developed by Clint and Jennings for real symmetric systems and was then called 'simultaneous iteration'. The success of the method prompted further research along this line and there have been many improved algorithms developed. This approach has been widely used by structural engineers for extracting the most useful natural frequencies and mode shapes of large-scale dynamic systems. This paper exploits into a new direction which is in the form of iterative process for simultaneously calculating eigenvector derivatives of many eigenvectors with respect to multi-variables. The method fully uses all the available information from preceding eigenvalue solution and, thus, effectively economizes computational efforts. It iterates through two equations derived from the first variation of the two fundamental equations used in subspace iteration method. There is no expensive large matrix decomposition required and the process converges to acceptable solution in a finite number of iterations. Therefore, the procedure increases its efficiency superiority over the others as the system size or the number of interested eigenvectors become larger and larger.

Ting, T.↗

NASA NTRS1999

Practical Aspects of Stabilized FEM Discretizations of Nonlinear Conservation Law Systems with Convex Extension

This talk considers simplified finite element discretization techniques for first-order systems of conservation laws equipped with a convex (entropy) extension. Using newly developed techniques in entropy symmetrization theory, simplified forms of the Galerkin least-squares (GLS) and the discontinuous Galerkin (DG) finite element method have been developed and analyzed. The use of symmetrization variables yields numerical schemes which inherit global entropy stability properties of the POE system. Central to the development of the simplified GLS and DG methods is the Degenerative Scaling Theorem which characterizes right symmetrizes of an arbitrary first-order hyperbolic system in terms of scaled eigenvectors of the corresponding flux Jacobean matrices. A constructive proof is provided for the Eigenvalue Scaling Theorem with detailed consideration given to the Euler, Navier-Stokes, and magnetohydrodynamic (MHD) equations. Linear and nonlinear energy stability is proven for the simplified GLS and DG methods. Spatial convergence properties of the simplified GLS and DO methods are numerical evaluated via the computation of Ringleb flow on a sequence of successively refined triangulations. Finally, we consider a posteriori error estimates for the GLS and DG demoralization assuming error functionals related to the integrated lift and drag of a body. Sample calculations in 20 are shown to validate the theory and implementation.

Barth, Timothy↗

NASA NTRS1993

Preconditioning for the Navier-Stokes equations with finite-rate chemistry

The extension of Van Leer's preconditioning procedure to generalized finite-rate chemistry is discussed. Application to viscous flow is begun with the proper preconditioning matrix for the one-dimensional Navier-Stokes equations. Eigenvalue stiffness is resolved and convergence-rate acceleration is demonstrated over the entire Mach-number range from nearly stagnant flow to hypersonic. Specific benefits are realized at the low and transonic flow speeds typical of complete propulsion-system simulations. The extended preconditioning matrix necessarily accounts for both thermal and chemical nonequilibrium. Numerical analysis reveals the possible theoretical improvements from using a preconditioner for all Mach number regimes. Numerical results confirm the expectations from the numerical analysis. Representative test cases include flows with previously troublesome embedded high-condition-number areas. Van Leer, Lee, and Roe recently developed an optimal, analytic preconditioning technique to reduce eigenvalue stiffness over the full Mach-number range. By multiplying the flux-balance residual with the preconditioning matrix, the acoustic wave speeds are scaled so that all waves propagate at the same rate, an essential property to eliminate inherent eigenvalue stiffness. This session discusses a synthesis of the thermochemical nonequilibrium flux-splitting developed by Grossman and Cinnella and the characteristic wave preconditioning of Van Leer into a powerful tool for implicitly solving two and three-dimensional flows with generalized finite-rate chemistry. For finite-rate chemistry, the state vector of unknowns is variable in length. Therefore, the preconditioning matrix extended to generalized finite-rate chemistry must accommodate a flexible system of moving waves. Fortunately, no new kind of wave appears in the system. The only existing waves are entropy and vorticity waves, which move with the fluid, and acoustic waves, which propagate in Mach number dependent directions. The nonequilibrium vibrational energies and species densities in the unknown state vector act strictly as convective waves. The essential concept for extending the preconditioning to generalized chemistry models is determining the differential variables which symmetrize the flux Jacobians. The extension is then straight-forward. This algorithm research effort will be released in a future version of the production level computational code coined the General Aerodynamic Simulation Program (GASP), developed by Walters, Slack, and McGrory.

Godfrey, Andrew G.↗