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DOE OSTI2024

Structure preserving and energy dissipative contact approaches for implicit dynamics

In this work, several structure preserving and energy dissipative contact approaches are proposed and evaluated. The time integration schemes considered are general with regard to the version of constraint type, but here the emphasis was on mortar contact. The proposed mortar contact approach conserves both linear and angular momentum for mortar contact in a novel way. The proposed time integration scheme can conserve energy or provide strict contact dissipation. In addition, the proposed scheme enforces both gap constraints and gap velocity constraints (i.e., persistency). Using a midstep time integrator often causes energy dissipation during initial impact, here this energy can be recovered in a novel way. Enforcing the gap velocity constraint mitigates the contact chatter of the contact pressure and nodes in many problems. Whereas some approaches enforce the persistency condition and gap constraints simultaneously during the solution of the equations of motion (EOM) requiring multipliers for both constraints included in the equation set, here the gap constraint is solved through the equations of motion and the persistency condition is satisfied in the time integration scheme by the velocity update after the equations of motion. It is shown that this approach is strictly dissipative in that a plastic contact condition can be achieved. Analogous to a coefficient of restitution for rigid bodies, any dissipated energy can then be returned upon release if energy conservation is desired. Structure preserving methods are good for long-time dynamics simulations and energy conserving and strictly dissipative methods can overcome stability issues associated with standard time integration algorithms such as the Newmark method.

42 ENGINEERING↗

NASA NTRS1989

An unconditionally stable Runge-Kutta method for unsteady flows

A quasi-three-dimensional analysis was developed for unsteady rotor-stator interaction in turbomachinery. The analysis solves the unsteady Euler or thin-layer Navier-Stokes equations in a body-fitted coordinate system. It accounts for the effects of rotation, radius change, and stream surface thickness. The Baldwin-Lomax eddy viscosity model is used for turbulent flows. The equations are integrated in time using a four-stage Runge-Kutta scheme with a constant time step. Implicit residual smoothing was employed to accelerate the solution of the time accurate computations. The scheme is described and accuracy analyses are given. Results are shown for a supersonic through-flow fan designed for NASA Lewis. The rotor:stator blade ratio was taken as 1:1. Results are also shown for the first stage of the Space Shuttle Main Engine high pressure fuel turbopump. Here the blade ratio is 2:3. Implicit residual smoothing was used to increase the time step limit of the unsmoothed scheme by a factor of six with negligible differences in the unsteady results. It is felt that the implicitly smoothed Runge-Kutta scheme is easily competitive with implicit schemes for unsteady flows while retaining the simplicity of an explicit scheme.

Jorgenson, Philip C. E.↗

NASA NTRS1995

Coronal heating by the resonant absorption of Alfven waves: Wavenumber scaling laws.

The importance of global modes in coronal loop heating is well established. In the present work the scaling of the global-mode resonant heating rate with the perturbation wavenumbers is studied with the numerical solution of the linearized time-dependent MHD equations for a full compressible, low-beta, resistive plasma using an implicit integration scheme. The numerical simulations demonstrate that the dissipation on inhomogeneties in the background Alfven speed occurs in narrow resonant layer with the highest heating rate at the global-mode frequency. The global-mode heating rate H (sub r) was found to scale as H (Sub r) approximately k (sub y) (exp 1.03) when k (sub z) = 0.1, and as H (sub r) approximately k (sub y) (exp -1.93) when k (sub z) = 0.75, where k (sub y) and k (sub z) are the wavenumbers in the perpendicular and parallel to the magnetic field directions, respectively, while the dependence of H (sub r) on k (sub z) is more complex. The quality factor Q of the MHD resonance cavity scales as Q approximately k (sub y) (exp -1.8) for k (sub z) = 0.75 and as Q approximately k (sub y) (exp -1.46) for k (sub z) = 0.1. The numerically determined heating rate scaling, the global-mode fequency, and the quality factor are in good agreement with the analytical linear theory. The magnitude of the perturbed velocities was found to decrease with k (sub y). Assuming typical coronal loop parameters (B (sub 0) = 100-200 G, upsilon (sub A) = 2000-4000 km/s), the Alfven waves can supply the required heating to a low-Q loops.

Ofman, L.↗

DOE OSTI2021

Implicit Multirate GARK Methods

This article considers multirate generalized-structure additively partitioned Runge–Kutta methods for solving stiff systems of ordinary differential equations with multiple time scales. These methods treat different partitions of the system with different timesteps for a more targeted and efficient solution compared to monolithic single rate approaches. With implicit methods used across all partitions, methods must find a balance between stability and the cost of solving nonlinear equations for the stages. In order to characterize this important trade-off, we explore multirate coupling strategies, problems for assessing linear stability, and techniques to efficiently implement Newton iterations for stage equations. Unlike much of the existing multirate stability analysis which is limited in scope to particular methods, we present general statements on stability and describe fundamental limitations for certain types of multirate schemes. New implicit multirate methods up to fourth order are derived, and their accuracy and efficiency properties are verified with numerical tests.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1989

An unconditionally stable Runge-Kutta method for unsteady rotor-stator interaction

A quasi-three-dimensional analysis has been developed for unsteady rotor-stator interaction in turbomachinery. The analysis solves the unsteady Euler or thin-layer Navier-Stokes equations in a body-fitted coordinate system. It accounts for the effects of rotation, radius change, and stress-surface thickness. The Baldwin-Lomax eddy-viscosity model is used for turbulent flows. The equations are integrated in time using an explicit four-stage Runge-Kutta scheme with a constant time step. Implicit residual smoothing is used to increase the stability limit of the time-accurate computations. The scheme is described, and stability and accuracy analyses are given.

Chima, Rodrick V.↗

NASA NTRS1993

Effects of spatial order of accuracy on the computation of vortical flowfields

The effect of the order-of-accuracy, used for the spatial discretization, on the resolution of the leading edge vortices over sharp-edged delta wings is investigated. The flowfield is computed using a viscous/inviscid zonal approach. The viscous flow in the vicinity of the wing is computed using the conservative formulation of the compressible, thin-layer Navier-Stokes equations. The leeward-side vortical flowfield and the other flow regions away from the surface are computed as inviscid. The time integration is performed with both an explicit fourth-order Runge-Kutta scheme and an implicit, factorized, iterative scheme. High-order-accurate inviscid fluxes are computed using both a conservative and a non-conservative (primitive variable) formulation. The nonlinear, inviscid terms of the primitive variable form of the governing equations are evaluated with a finite-difference numerical scheme based on the sign of the eigenvalues. High-order, upwind-biased, finite difference formulas are used to evaluate the derivatives of the nonlinear convective terms. Computed results are compared with available experimental data, and comparisons of the flowfield in the vicinity of the vortex cores are presented.

Ekaterinaris, J. A.↗

NASA NTRS1993

Three-dimensional unstructured grid Euler computations using a fully-implicit, upwind method

A method has been developed to solve the Euler equations on a three-dimensional unstructured grid composed of tetrahedra. The method uses an upwind flow solver with a linearized, backward-Euler time integration scheme. Each time step results in a sparse linear system of equations which is solved by an iterative, sparse matrix solver. Local-time stepping, switched evolution relaxation (SER), preconditioning and reuse of the Jacobian are employed to accelerate the convergence rate. Implicit boundary conditions were found to be extremely important for fast convergence. Numerical experiments have shown that convergence rates comparable to that of a multigrid, central-difference scheme are achievable on the same mesh. Results are presented for several grids about an ONERA M6 wing.

Whitaker, David L.↗

NASA NTRS1978

Large eddy simulation of incompressible turbulent channel flow

The three-dimensional, time-dependent primitive equations of motion were numerically integrated for the case of turbulent channel flow. A partially implicit numerical method was developed. An important feature of this scheme is that the equation of continuity is solved directly. The residual field motions were simulated through an eddy viscosity model, while the large-scale field was obtained directly from the solution of the governing equations. An important portion of the initial velocity field was obtained from the solution of the linearized Navier-Stokes equations. The pseudospectral method was used for numerical differentiation in the horizontal directions, and second-order finite-difference schemes were used in the direction normal to the walls. The large eddy simulation technique is capable of reproducing some of the important features of wall-bounded turbulent flows. The resolvable portions of the root-mean square wall pressure fluctuations, pressure velocity-gradient correlations, and velocity pressure-gradient correlations are documented.

Moin, P.↗

NASA NTRS1987

Finite element techniques for the Navier-Stokes equations in the primitive variable formulation and the vorticity stream-function formulation

Finite element procedures for the Navier-Stokes equations in the primitive variable formulation and the vorticity stream-function formulation have been implemented. For both formulations, streamline-upwind/Petrov-Galerkin techniques are used for the discretization of the transport equations. The main problem associated with the vorticity stream-function formulation is the lack of boundary conditions for vorticity at solid surfaces. Here an implicit treatment of the vorticity at no-slip boundaries is incorporated in a predictor-multicorrector time integration scheme. For the primitive variable formulation, mixed finite-element approximations are used. A nine-node element and a four-node + bubble element have been implemented. The latter is shown to exhibit a checkerboard pressure mode and a numerical treatment for this spurious pressure mode is proposed. The two methods are compared from the points of view of simulating internal and external flows and the possibilities of extensions to three dimensions.

Glaisner, F.↗

NASA NTRS1993

Three-dimensional supersonic vortex breakdown

Three-dimensional supersonic vortex-breakdown problems in bound and unbound domains are solved. The solutions are obtained using the time-accurate integration of the unsteady, compressible, full Navier-Stokes (NS) equations. The computational scheme is an implicit, upwind, flux-difference splitting, finite-volume scheme. Two vortex-breakdown applications are considered in the present paper. The first is for a supersonic swirling jet which is issued from a nozzle into a supersonic uniform flow at a lower Mach number than that of the swirling jet. The second is for a supersonic swirling flow in a configured circular duct. In the first application, an extensive study of the effects of grid fineness, shape and grid-point distribution on the vortex breakdown is presented. Four grids are used in this study and they show a substantial dependence of the breakdown bubble and shock wave on the grid used. In the second application, the bubble-type and helix-type vortex breakdown have been captured.

Kandil, Osama A.↗

NASA NTRS1986

Implicit methods for computing chemically reacting flow

The backward Euler scheme was used to solve a large system of inviscid flow and chemical rate equations in three spatial coordinates. The flow equations were integrated simultaneously in time by a conventional ADI factorization technique, then the species equations were solved by either simultaneous or successive techniques. The methods were evaluated in their efficiency and robustness for a hypersonic flow problem involving an aerobrake configuration. It was found that both implicit methods can effectively reduce the stiffness associated with the chemical production term and that the successive solution for the species was as stable as the simultaneous solution. The latter method is more economical because the computation time varies linearly with the number of species.

Li, C. P.↗

DOE OSTI2020

Semi-implicit method to solve compressible multiphase fluid flows without acoustic time step restrictions

A new 3D multiphase numerical capability is presented here for simulating multiphase flow regimes at all Mach numbers (M). The new method is a semi-implicit extension of the finite volume discrete equation method (DEM) of Chinnaya et al. (2004), which originally used explicit time-stepping. The capability is also developed to work with another extension of the DEM to moving grids for arbitrary Lagrangian-Eularian (ALE) methods detailed in Dunn (2011). Rather than solving all phase equations simultaneously, the DEM reduces the equations to a system of single-phase Riemann solves, where each phase has its own velocity and thermodynamic state. Exchanges between the phases are modeled through source terms accounting for the phase interactions. Furthermore, since the original multiphase scheme uses an explicit time-advancement scheme, it has time step restrictions dictated by the speed of sound, which limits the model's ability to simulate weakly compressible flows which typically need to be integrated for longer time periods. Here, we extend the current multiphase formulation by implementing a pressure-correcting step to enable implicit calculations and remove acoustic time step limitations. The new semi-implicit algorithm allows use of relatively large time steps compared to an explicit method. Validation and benefits of the new implicit time-step method are illustrated using several examples including weakly compressible flows and strong shock waves. The scheme presented here is general and may be used for a variety of applications which require capabilities for handling multiphase flow at a wide range of Mach numbers. However, the goal of this research is to simulate all stages of high energy explosions, including the shock formation (high Mach numbers) and evolution of the buoyant cloud (low Mach numbers).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Acceleration of Power System Dynamic Simulations Using a Deep Equilibrium Layer and Neural ODE Surrogate

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based resources exacerbates the computational burden of running time domain simulations. Here, in this paper, we propose a data-driven surrogate model based on implicit machine learningspecifically deep equilibrium layers and neural ordinary differential equationsto learn a reduced order model of a portion of the full underlying system. The data-driven surrogate achieves similar accuracy and reduction in simulation time compared to a physics-based surrogate, without the constraint of requiring detailed knowledge of the underlying dynamic models. This work also establishes key requirements needed to integrate the surrogate into existing simulation workflows; the proposed surrogate is initialized to a steady state operating point that matches the power flow solution by design.

Neural ordinary differential equations↗

DOE OSTI2025

Robust Implicit Adaptive Low Rank Time-Stepping Methods for Matrix Differential Equations

In this work, we develop implicit rank-adaptive schemes for time-dependent matrix differential equations. The dynamic low rank approximation (DLRA) is a well-known technique to capture the dynamic low rank structure based on Dirac–Frenkel time-dependent variational principle. In recent years, it has attracted a lot of attention due to its wide applicability. Our schemes are inspired by the three-step procedure used in the rank adaptive version of the unconventional robust integrator (the so called BUG integrator) (Ceruti et al. in BIT Numer Math 62(4):1149–1174, 2022) for DLRA. First, a prediction (basis update) step is made computing the approximate column and row spaces at the next time level. Second, a Galerkin evolution step is invoked using an implicit solves for the small core matrix. Finally, a truncation is made according to a prescribed error threshold. Since the DLRA is evolving the differential equation projected on to the tangent space of the low rank manifold, the error estimate of the BUG integrator contains the tangent projection (modeling) error which cannot be easily controlled by mesh refinement. This can cause convergence issue for equations with cross terms. To address this issue, we propose a simple modification, consisting of merging the row and column spaces from the explicit step truncation method together with the BUG spaces in the prediction step. In addition, we propose an adaptive strategy where the BUG spaces are only computed if the residual for the solution obtained from the prediction space by explicit step truncation method, is too large. Here, we prove stability and estimate the local truncation error of the schemes under assumptions. We benchmark the schemes in several tests, such as anisotropic diffusion, solid body rotation and the combination of the two, to show robust convergence properties.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Field-Dependent Ionic Conductivities from Generalized Fluctuation-Dissipation Relations

We derive a relationship for the electric field dependent ionic conductivity in terms of fluctuations of time integrated microscopic variables. We demonstrate this formalism with molecular dynamics simulations of solutions of differing ionic strength with implicit solvent conditions and molten salts. These calculations are aided by a novel nonequilibrium statistical reweighting scheme that allows for the conductivity to be computed as a continuous function of the applied field. In strong electrolytes, we find the fluctuations of the ionic current are Gaussian, and subsequently, the conductivity is constant with applied field. In weaker electrolytes and molten salts, we find the fluctuations of the ionic current are strongly non-Gaussian, and the conductivity increases with applied field. Furthermore, this nonlinear behavior, known phenomenologically for dilute electrolytes as the Onsager-Wien effect, is general and results from the suppression of ionic correlations at large applied fields, as we elucidate through both dynamic and static correlations within nonequilibrium steady states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1988

A Navier-Stokes solver for cascade flows

A computer code for solving the Reynolds averaged full Navier-Stokes equations has been developed and applied using sheared H-type grids. The Baldwin-Lomax eddy-viscosity model is used for turbulence closure. The integration in time is based on an explicit four-stage Runge-Kutta scheme. Local time stepping, variable coefficient implicit residual smoothing, and a full multigrid method have been implemented to accelerate steady state calculations. Comparisons with experimental data show that the code is an accurate viscous solver and can give very good blade-to-blade predictions for engineering applications in less than 100 multigrid cycles on the finest mesh.

Arnone, A.↗

NASA NTRS1993

A Navier-Stokes solver for turbomachinery applications

A computer code for solving the Reynolds-averaged full Navier-Stokes equations has been developed and applied using H- and C-type grids. The Baldwin-Lomax eddy-viscosity model is used for turbulence closure. The integration in time is based on an explicit four-stage Runge-Kutta scheme. Local time stepping, variable coefficient implicit residual smoothing, and a full multigrid method have been implemented to accelerate steady-state calculations. A grid independence analysis is presented for a transonic rotor blade. Comparisons with experimental data show that the code is an accurate viscous solver and can give very good blade-to-blade predictions for engineering applications.

Arnone, A.↗

NASA NTRS1986

Upwind relaxation algorithms for Euler/Navier-Stokes equations

A description of and results from a solution algorithm for the compressible Navier-Stokes equations are presented. The main features of the algorithm are second or third order accurate upwind discretization of the convection and pressure derivatives and a relaxation scheme for the unfactored implicit backward Euler time method, implemented in a finite-volume formulation. Upwind methods were successfully used to obtain solutions to the Euler equations for flows with strong shock waves. The particular upwind method being used is based on the flux vector splitting technique developed by Van Leer and both second and third order accurate discretizations were developed. Currently, the most widely used implicit solution technique for the Navier-Stokes equations use approximate factorization (AF) methods to treat multidimensional problems. The time integration scheme being used in the present algorithm corresponds to a line Gauss-Seidel relaxation method. This method produces good convergence rates for steady-state flows, and most of the algorithm was vectorized on the NASA Langley VPS 32 computer. The Navier-Stokes algorithm was tested for several two-dimensional flow problems. Solutions for the problems gave excellent results. The presented effort is directed toward the extension of the scheme to the full three-dimensional Navier-Stokes equations.

Thomas, J. L.↗