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Results for “implicit method”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Development of an unstructured solution adaptive method for the quasi-three-dimensional Euler and Navier-Stokes equations

A general solution adaptive scheme-based on a remeshing technique is developed for solving the two-dimensional and quasi-three-dimensional Euler and Favre-averaged Navier-Stokes equations. The numerical scheme is formulated on an unstructured triangular mesh utilizing an edge-based pointer system which defines the edge connectivity of the mesh structure. Jameson's four-stage hybrid Runge-Kutta scheme is used to march the solution in time. The convergence rate is enhanced through the use of local time stepping and implicit residual averaging. As the solution evolves, the mesh is regenerated adaptively using flow field information. Mesh adaptation parameters are evaluated such that an estimated local numerical error is equally distributed over the whole domain. For inviscid flows, the present approach generates a complete unstructured triangular mesh using the advancing front method. For turbulent flows, the approach combines a local highly stretched structured triangular mesh in the boundary layer region with an unstructured mesh in the remaining regions to efficiently resolve the important flow features. One-equation and two-equation turbulence models are incorporated into the present unstructured approach. Results are presented for a wide range of flow problems including two-dimensional multi-element airfoils, two-dimensional cascades, and quasi-three-dimensional cascades. This approach is shown to gain flow resolution in the refined regions while achieving a great reduction in the computational effort and storage requirements since solution points are not wasted in regions where they are not required.

Jiang, Yi-Tsann↗
DOE OSTI2015

Decreasing the temporal complexity for nonlinear, implicit reduced-order models by forecasting

Implicit numerical integration of nonlinear ODEs requires solving a system of nonlinear algebraic equations at each time step. Each of these systems is often solved by a Newton-like method, which incurs a sequence of linear-system solves. Most model-reduction techniques for nonlinear ODEs exploit knowledge of system's spatial behavior to reduce the computational complexity of each linear-system solve. However, the number of linear-system solves for the reduced-order simulation often remains roughly the same as that for the full-order simulation. We propose exploiting knowledge of the model's temporal behavior to (1) forecast the unknown variable of the reduced-order system of nonlinear equations at future time steps, and (2) use this forecast as an initial guess for the Newton-like solver during the reduced-order-model simulation. To compute the forecast, we propose using the Gappy POD technique. As a result, the goal is to generate an accurate initial guess so that the Newton solver requires many fewer iterations to converge, thereby decreasing the number of linear-system solves in the reduced-order-model simulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Implementation of INDO/SCI with COSMO Implicit Solvation and Benchmarking for Solvatochromic Shifts

Accurate and rapid quantum mechanical prediction of solvatochromic shifts, particularly in systems where charge transfer plays a significant role, is important for many aspects of molecular and material design. Although the semiempirical INDO/SCI approach is computationally efficient and performs well for charge-transfer states, the availability of implicit solvent approaches has been limited. As such, we implement the COSMO solvent model with a perturbative state-specific correction to the excited-state energies with the INDO/SCI method. We show that for a series of prototypical π-conjugated molecules, our newly implemented INDO/SCI/COSMO model yields more accurate absorption energies and comparably accurate solvatochromic shifts to those computed using TD-ωB97XD and CIS with COSMO solvation at a substantially lower computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Semi-implicit continuum kinetic modeling of weakly collisional parallel transport in a magnetic mirror

We present implicit-explicit (IMEX) kinetic simulations of weakly collisional parallel plasma transport in magnetic mirror configurations using the continuum code COGENT. The numerical scheme employs a Jacobian-free Newton–Krylov method with algebraic multigrid preconditioning to overcome the severe time step limitations imposed by strong mirror forces in fully explicit schemes. Applied to parameters relevant to the Wisconsin HTS Axisymmetric Mirror experiment, the IMEX approach enables time steps up to 2.5×10 4 times larger than those permitted by explicit methods, resulting in a 2500× speedup in 1D–2V simulations of parallel transport with kinetic ions and Boltzmann electrons. Additionally, a reduced bounce-averaged model for a square mirror is implemented to support the computationally intensive fully kinetic simulations. The bounce-averaged formulation is used to evaluate the numerical convergence of the velocity-space discretization algorithms and to assess the role of the collision model by comparing simulations employing the nonlinear Fokker–Planck and the simplified Lenard–Bernstein–Dougherty collision operators.

Collision theories↗
NASA NTRS1984

A strongly implicit procedure for the compressible Navier-Stokes equations

The strongly implicit procedure of Stone is used to obtain numerical solutions of the compressible Navier-Stokes equations in conservative form. In contrast to the spatially split Douglas-Gunn type methods, the method is shown to be numerically stable for the three-dimensional wave equation. The method is applied to a variety of external and internal two-dimensional flow problems involving shock wave boundary-layer interaction for both laminar and turbulent flows. The results are in good agreement with other methods and/or experiments. The storage penalty associated with the method is discussed and a simple, yet effective, means of minimizing the problem is presented.

Walters, R. W.↗
NASA NTRS1987

Simple numerical method for predicting steady compressible flows

The present numerical method for the solution of the isenthalpic form of the governing equations for compressible viscous and inviscid flows has its basis in the concept of flux vector splitting in its implicit form, and has been tested in the cases of several difficult viscous and inviscid configurations. An acceleration of time-marching to steady state is accomplished by implementing a multigrid procedure which effectively increases the convergence rate. The steady state results obtained are largely of good quality, and required only short computational times.

Von Lavante, E.↗
NASA NTRS1989

The solution of the Navier-Stokes equations using Gauss-Seidel line relaxation

The Navier-Stokes equations in an implicit flux-split difference formulation are solved numerically using a Gauss-Seidel line-relaxation procedure. Particular attention is given to the selection of flux-vector splitting method and flux splitting in boundary layers. Results for sample problems involving (1) turbulent supersonic flow over a cone and (2) the viscous hypersonic flow of a chemically reacting gas in thermal nonequilibrium past a blunted cone are presented in extensive graphs and briefly characterized. The present flux-split procedures are shown to provide accurate shear-layer calculations.

Maccormack, Robert W.↗
NASA NTRS1992

Life extending control for rocket engines

The concept of life extending control is defined. A brief discussion of current fatigue life prediction methods is given and the need for an alternative life prediction model based on a continuous functional relationship is established. Two approaches to life extending control are considered: (1) the implicit approach which uses cyclic fatigue life prediction as a basis for control design; and (2) the continuous life prediction approach which requires a continuous damage law. Progress on an initial formulation of a continuous (in time) fatigue model is presented. Finally, nonlinear programming is used to develop initial results for life extension for a simplified rocket engine (model).

Lorenzo, C. F.↗
NASA NTRS1993

Investigation of high-speed free shear flows using improved pressure-strain correlated Reynolds stress turbulence model

A high-speed shear layer is studied using compressibility corrected Reynolds stress turbulence model which employs newly developed model for pressure-strain correlation. MacCormack explicit prediction-corrector method is used for solving the governing equations and the turbulence transport equations. The stiffness arising due to source terms in the turbulence equations is handled by a semi-implicit numerical technique. Results obtained using the new model show a sharper reduction in growth rate with increasing convective Mach number. Some improvements were also noted in the prediction of the normalized streamwise stress and Reynolds shear stress. The computed results are in good agreement with the experimental data.

Tiwari, S. N.↗
NASA NTRS1994

Accuracy enhancements for overset grids using a defect correction approach

A defect-correction approach is investigated as a means of enhancing the accuracy of flow computations on overset grids. Typically, overset-grid techniques process and pass information only at grid boundaries. In the current approach, error corrections at all overlapped interior points are injected between grids by using a defect-correction scheme. In some cases this is found to enhance the overall accuracy of the overset-grid method. Locally refined overset grids can be used to provide an efficient solution-adaptation method. The defect correction can also be ultilized as an error-correction technique for a coarse grid by evaluating the residual using a fine base grid, but solving the implicit equations only on the coarse grid. Numerical examples include an accuracy and dissipation study of an unsteady decaying vortex flow, the flow over a NACA 0012 airfoil, and the flow over a mulit-element high-lift airfoil.

Rogers, Stuart E.↗
NASA NTRS1995

Computational Study of Flow Establishment in Hypersonic Pulse Facilities

This paper presents a study of the temporal evolution of the combustion flowfield established by the interaction of ram-accelerator-type projectiles with an explosive gas mixture accelerated to hypersonic speeds in an expansion tube. The Navier-Stokes equations for a chemically reacting gas are solved in a fully coupled manner using an implicit, time accurate algorithm. The solution procedure is based on a spatially second order, total variation diminishing (TVD) scheme and a temporally second order, variable-step, backward differentiation formula method. The hydrogen-oxygen chemistry is modeled with a 9-species, 19-step mechanism. The accuracy of the solution method is first demonstrated by several benchmark calculations. Numerical simulations of expansion tube flowfields are then presented for two different configurations. In particular, the development of the shock-induced combustion process is followed. In one case, designed to ensure ignition only in the boundary layer, the lateral extent of the combustion front during the initial transient phase was surprisingly large. The time histories of the calculated thrust and drag forces on the ram accelerator projectile are also presented.

Yungster, S.↗
DOE OSTI2017

Level set methods for detonation shock dynamics using high-order finite elements

Level set methods are a popular approach to modeling evolving interfaces. We present a level set ad- vection solver in two and three dimensions using the discontinuous Galerkin method with high-order nite elements. During evolution, the level set function is reinitialized to a signed distance function to maintain ac- curacy. Our approach leads to stable front propagation and convergence on high-order, curved, unstructured meshes. The ability of the solver to implicitly track moving fronts lends itself to a number of applications; in particular, we highlight applications to high-explosive (HE) burn and detonation shock dynamics (DSD). We provide results for two- and three-dimensional benchmark problems as well as applications to DSD.

finite element methods↗
DOE OSTI2017

A stable and accurate partitioned algorithm for conjugate heat transfer

We describe a new partitioned approach for solving conjugate heat transfer (CHT) problems where the governing temperature equations in different material domains are time-stepped in a implicit manner, but where the interface coupling is explicit. The new approach, called the CHAMP scheme (Conjugate Heat transfer Advanced Multi-domain Partitioned), is based on a discretization of the interface coupling conditions using a generalized Robin (mixed) condition. The weights in the Robin condition are determined from the optimization of a condition derived from a local stability analysis of the coupling scheme. The interface treatment combines ideas from optimized-Schwarz methods for domain-decomposition problems together with the interface jump conditions and additional compatibility jump conditions derived from the governing equations. For many problems (i.e. for a wide range of material properties, grid-spacings and time-steps) the CHAMP algorithm is stable and second-order accurate using no sub-time-step iterations (i.e. a single implicit solve of the temperature equation in each domain). In extreme cases (e.g. very fine grids with very large time-steps) it may be necessary to perform one or more sub-iterations. Each sub-iteration generally increases the range of stability substantially and thus one sub-iteration is likely sufficient for the vast majority of practical problems. The CHAMP algorithm is developed first for a model problem and analyzed using normal-mode the- ory. The theory provides a mechanism for choosing optimal parameters in the mixed interface condition. A comparison is made to the classical Dirichlet-Neumann (DN) method and, where applicable, to the optimized- Schwarz (OS) domain-decomposition method. For problems with different thermal conductivities and dif- fusivities, the CHAMP algorithm outperforms the DN scheme. For domain-decomposition problems with uniform conductivities and diffusivities, the CHAMP algorithm performs better than the typical OS scheme with one grid-cell overlap. Lastly, the CHAMP scheme is also developed for general curvilinear grids and CHT ex- amples are presented using composite overset grids that confirm the theory and demonstrate the effectiveness of the approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

HomPINNs: Homotopy physics-informed neural networks for learning multiple solutions of nonlinear elliptic differential equations

Physics-informed neural networks (PINNs) based machine learning is an emerging framework for solving nonlinear differential equations. However, due to the implicit regularity of neural network structure, PINNs can only find the flattest solution in most cases by minimizing the loss functions. In this paper, we combine PINNs with the homotopy continuation method, a classical numerical method to compute isolated roots of polynomial systems, and propose a new deep learning framework, named homotopy physics-informed neural networks (HomPINNs), for solving multiple solutions of nonlinear elliptic differential equations. The implementation of an HomPINN is a homotopy process that is composed of the training of a fully connected neural network, named the starting neural network, and training processes of several PINNs with different tracking parameters. The starting neural network is to approximate a starting function constructed by the trivial solutions, while other PINNs are to minimize the loss functions defined by boundary condition and homotopy functions, varying with different tracking parameters. These training processes are regraded as different steps of a homotopy process, and a PINN is initialized by the well-trained neural network of the previous step, while the first starting neural network is initialized using the default initialization method. Finally, several numerical examples are presented to show the efficiency of our proposed HomPINNs, including reaction-diffusion equations with a heart-shaped domain.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The shape of convection in 2D and 3D global simulations of stellar interiors

Context. Theoretical descriptions of convective overshooting in stellar interiors often rely on a basic one-dimensional parameterization of the flow called the filling factor for convection. Several different definitions of the filling factor have been developed for this purpose, based on: (1) the percentage of the volume, (2) the mass flux, and (3) the convective flux that moves through the boundary. Aims. We examine these definitions of the filling factor with the goal of establishing their ability to explain differences between 2D and 3D global simulations of stellar interiors that include fully compressible hydrodynamics and realistic microphysics for stars. Methods. We study convection and overshooting in pairs of identical two-dimensional (2D) and three-dimensional (3D) global simulations of stars produced with MUSIC , a fully compressible, time-implicit hydrodynamics code. We examine pairs of simulations for (1) a 3 M ⊙ red giant star near the first dredge-up point, (2) a 1 M ⊙ pre-main-sequence star with a large convection zone, (3) the current sun, and (4) a 20 M ⊙ main-sequence star with a large convective core. Results. Our calculations of the filling factor based on the volume percentage and the mass flux indicate asymmetrical convection near the surface for each star with an outer convection zone. However, near the convective boundary, convective flows achieve inward-outward symmetry for each star that we study; for 2D and 3D simulations, these filling factors are indistinguishable. A filling factor based on the convective flux is contaminated by boundary-layer-like flows, making a theoretical interpretation difficult. We present two possible new alternatives to these frequently used definitions of a filling factor, which instead compare flows at two different radial points. The first alternative is the penetration parameter of Anders et al. (2022, ApJ, 926, 169). The second alternative is a new statistic that we call the plume interaction parameter. We demonstrate that both of these parameters captures systematic differences between 2D and 3D simulations around the convective boundary.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Topanga: A kinetic ion plasma code for large-scale ionospheric simulations on magnetohydrodynamic timescales

Topanga is a kinetic ion code developed for simulating large-scale plasma phenomena in the Earth's ionosphere on magnetohydrodynamic timescales. It is a domain-decomposed parallel code that runs on high-performance computing platforms. Features of Topanga include spherical geometry for simplified boundary conditions and computational efficiency; a hybrid plasma model with inertia-less fluid electrons, kinetic ions, and an electric field specified via an Ohm's law; a Maxwell-FDTD (finite difference time domain) plasma model which retains the displacement current in Maxwell's equations and models electron currents in the ionosphere with a tensor conductivity; sponge-layer boundary conditions for absorption of electromagnetic and plasma waves incident on the domain boundaries; and a novel mixed-implicit algorithm for evolving the EM fields inside the Maxwell-FDTD region that is stable over many orders of magnitude in the electron–ion collision frequency. We verify the numerical methods used in Topanga on a pair of test problems. The first test involves modeling a three-dimensional collisionless shock using the hybrid set of equations. The second test involves modeling a spherical TEM mode in vacuum using the Maxwell-FDTD set of equations. Finally, we demonstrate how using the combined set of hybrid and Maxwell-FDTD equations to model the Starfish Prime high-altitude nuclear test recovers a “missing” EM signal on the ground that is not present when using only the hybrid set of equations. The magnitude of this signal in the simulation containing the Maxwell-FDTD region agrees well with the E3a portion of the magnetohydrodynamic electromagnetic pulse from Starfish Prime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A high-order spectral deferred correction strategy for low Mach number flow with complex chemistry

This article presents a fourth-order finite-volume algorithm in space and time for low Mach number reacting flow with detailed kinetics and transport. Our temporal integration scheme is based on a Multi-Implicit Spectral Deferred Correction (MISDC) strategy that iteratively couples advection, diffusion, and reactions evolving subject to a constraint. Our new approach overcomes a stability limitation of our previous second-order method encountered when trying to incorporate higher-order polynomial representations of the solution in time to increase accuracy. We have developed a new iterative scheme that naturally fits within our MISDC framework and allows us to conserve mass and energy while simultaneously satisfying the equation of state. We analyse the conditions for which the iterative schemes are guaranteed to converge to the fixed point solution. Finally, we present numerical examples illustrating the performance of the new method on premixed hydrogen, methane, and dimethyl ether flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗