Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “implicit methods”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

An exploratory study of a finite difference method for calculating unsteady transonic potential flow

A method for calculating transonic flow over steady and oscillating airfoils was developed by Isogai. The full potential equation is solved with a semi-implicit, time-marching, finite difference technique. Steady flow solutions are obtained from time asymptotic solutions for a steady airfoil. Corresponding oscillatory solutions are obtained by initiating an oscillation and marching in time for several cycles until a converged periodic solution is achieved. The method is described in general terms and results for the case of an airfoil with an oscillating flap are presented for Mach numbers 0.500 and 0.875. Although satisfactory results are obtained for some reduced frequencies, it is found that the numerical technique generates spurious oscillations in the indicial response functions and in the variation of the aerodynamic coefficients with reduced frequency. These oscillations are examined with a dynamic data reduction method to evaluate their effects and trends with reduced frequency and Mach number. Further development of the numerical method is needed to eliminate these oscillations.

Bennett, R. M.↗
DOE OSTI2024

Anti-symmetric and positivity preserving formulation of a spectral method for Vlasov-Poisson equations

We analyze the anti-symmetric properties of a spectral discretization for the one-dimensional Vlasov-Poisson equations. The discretization is based on a spectral expansion in velocity with the symmetrically weighted Hermite basis functions, central finite differencing in space, and an implicit Runge Kutta integrator in time. The proposed discretization preserves the anti-symmetric structure of the advection operator in the Vlasov equation, resulting in a stable numerical method. We apply such discretization to two formulations: the canonical Vlasov-Poisson equations and their continuously transformed square-root representation. The latter preserves the positivity of the particle distribution function. We derive analytically the conservation properties of both formulations, including particle number, momentum, and energy, which are verified numerically on the following benchmark problems: manufactured solution, linear and nonlinear Landau damping, two-stream instability, bump-on-tail instability, and ion-acoustic wave.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1996

Multigrid Method for Modeling Multi-Dimensional Combustion with Detailed Chemistry

A highly accurate and efficient numerical method is developed for modeling 3-D reacting flows with detailed chemistry. A contravariant velocity-based governing system is developed for general curvilinear coordinates to maintain simplicity of the continuity equation and compactness of the discretization stencil. A fully-implicit backward Euler technique and a third-order monotone upwind-biased scheme on a staggered grid are used for the respective temporal and spatial terms. An efficient semi-coarsening multigrid method based on line-distributive relaxation is used as the flow solver. The species equations are solved in a fully coupled way and the chemical reaction source terms are treated implicitly. Example results are shown for a 3-D gas turbine combustor with strong swirling inflows.

Zheng, Xiaoqing↗
DOE OSTI2022

A finite-volume scheme for modeling compressible magnetohydrodynamic flows at low Mach numbers in stellar interiors

Fully compressible magnetohydrodynamic (MHD) simulations are a fundamental tool for investigating the role of dynamo amplification in the generation of magnetic fields in deep convective layers of stars. The flows that arise in such environments are characterized by low (sonic) Mach numbers ($\mathscr{M}$ son ≲ 10 –2 ). In these regimes, conventional MHD codes typically show excessive dissipation and tend to be inefficient as the Courant–Friedrichs–Lewy (CFL) constraint on the time step becomes too strict. In this work we present a new method for efficiently simulating MHD flows at low Mach numbers in a space-dependent gravitational potential while still retaining all effects of compressibility. The proposed scheme is implemented in the finite-volume SEVEN-LEAGUE HYDRO (SLH) code, and it makes use of a low-Mach version of the five-wave Harten–Lax–van Leer discontinuities (HLLD) solver to reduce numerical dissipation, an implicit–explicit time discretization technique based on Strang splitting to overcome the overly strict CFL constraint, and a well-balancing method that dramatically reduces the magnitude of spatial discretization errors in strongly stratified setups. The solenoidal constraint on the magnetic field is enforced by using a constrained transport method on a staggered grid. We carry out five verification tests, including the simulation of a small-scale dynamo in a star-like environment at $\mathscr{M}$ son ~ 10 –3 . We demonstrate that the proposed scheme can be used to accurately simulate compressible MHD flows in regimes of low Mach numbers and strongly stratified setups even with moderately coarse grids.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Using Metadynamics to Reveal Extractant Conformational Free Energy Landscapes

Understanding the impact of extractant functionalization on metal-binding energetics in liquid-liquid extraction is essential to guide the development of better separation processes. Traditionally, computational extractant design uses electronic structure calculations on metal-ligand clusters to determine the metal-binding energy of the lowest energy state. Although highly accurate, this approach does not account for all of the relevant physics encountered under experimental conditions. Such methodologies often neglect entropic contributions such as temperature effects and ligand flexibility, in addition to approximating solvent-extractant interactions with implicit solvent models. In this study, we use classical molecular dynamics simulations with an advanced sampling method, metadynamics, to map out extractant molecule conformational free energies in the condensed phase. Here we generate the complete conformational landscape in solution for a family of bidentate malonamide-based extractants with different functionalizations of the headgroup and the side chains. In particular, we show how such alkyl functionalization reshapes the free energy landscape, affecting the free energy penalty of organizing the extractant into the cis-like metal-binding conformation from the trans-like conformation of the free extractant in solution. Specifically, functionalizing alkyl tails to the center of the headgroup has a greater influence on increasing molecular rigidity and disfavoring the binding conformation than functionalizing side chains. These findings are consistent with trends in metal-binding energetics based on experimentally reported distribution ratios. We also consider a different bidentate extractant molecule, carbamoylmethylphosphine oxide, and show how the choice of solvent can further reshape the conformational energetic landscape. This study demonstrates the feasibility of using molecular dynamics simulations with advanced sampling techniques to investigate extractant conformational energetics in solution, which, more broadly, will enable extractant design that accounts for entropic effects and explicit solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Early retirement of power plants in climate mitigation scenarios

International efforts to avoid dangerous climate change aim for large and rapid reductions of fossil fuel CO 2 emissions worldwide, including nearly complete decarbonization of the electric power sector. However, achieving such rapid reductions may depend on early retirement of coal- and natural gas-fired power plants. Here, we analyze future fossil fuel electricity demand in 171 energy-emissions scenarios from Integrated Assessment Models (IAMs), evaluating the implicit retirements and/or reduced operation of generating infrastructure. Although IAMs calculate retirements endogenously, the structure and methods of each model differ; we use a standard approach to infer retirements in outputs from all six major IAMs and—unlike the IAMs themselves—we begin with the age distribution and region-specific operating capacities of the existing power fleet. We find that coal-fired power plants in scenarios consistent with international climate targets (i.e. keeping global warming well-below 2 °C or 1.5 °C) retire one to three decades earlier than historically has been the case. If plants are built to meet projected fossil electricity demand and instead allowed to operate at the level and over the lifetimes they have historically, the roughly 200 Gt CO 2 of additional emissions this century would be incompatible with keeping global warming well-below 2 °C. Thus, ambitious climate mitigation scenarios entail drastic, and perhaps un-appreciated, changes in the operating and/or retirement schedules of power infrastructure.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1985

A parabolized Navier-Stokes algorithm for separated supersonic internal flows

A stable global-iteration procedure is applied to a fully implicit noniterative parabolized Navier-Stokes algorithm to improve the solutions of the single-sweep method as well as to resolve small separation bubbles due to shock-wave/boundary-layer interactions. A modified form of the FLARE approximation is employed in the separated regions and some requirements for stable iterations are discussed. The results of the global-iteration scheme for two test cases of supersonic internal flows are compared against the results of the single-sweep method as well as the results of the full Navier-Stokes solver.

Chitsomboon, T.↗
NASA NTRS1989

A simple time-accurate turbomachinery algorithm with numerical solutions of an uneven blade count configuration

The present computer algorithm for the time-accurate flow analysis of rotating turbomachines is based on the finite-volume method and employs a high-resolution approximate Riemann solver for interface flux definitions and an implicit numerical scheme that possesses apparent unconditional stability. Block-block interfaces, including dynamic ones, are treated in such a way as to mimic interior block communication. The turbomachine configurations treated by way of illustration are 8-8-bladed and 11-9-bladed versions of a contrarotating unducted fan engine.

Janus, J. Mark↗
NASA NTRS1986

A computational/experimental study of the flow around a body of revolution at angle of attack

The incompressible Navier-Stokes equations are numerically solved for steady flow around an ogive-cylinder (fineness ration 4.5) at angle of attack. The three-dimensional vortical flow is investigated with emphasis on the tip and the near wake region. The implicit, finite-difference computation is performed on the CRAY X-MP computer using the method of pseudo-compressibility. Comparisons of computational results with results of a companion towing tank experiment are presented for two symmetric leeside flow cases of moderate angles of attack. The topology of the flow is discussed and conclusions are drawn concerning the growth and stability of the primary vortices.

Zilliac, Gregory G.↗
NASA NTRS1990

Computation of thermochemical nonequilibrium flows around a simple and a double ellipse

The nonequilibrium viscous reactive flows over a simple and a double ellipse at a 30 degree angle of attack were computed. The geometry and the free stream conditions are given by INRIA/GAMNI/SMAI workshop test cases 6.2-2 and 6.2-4. The governing Navier-Stokes equations coupled with thermochemical nonequilibrium processes are solved numerically using a fully coupled, implicit, finite volume technique with a dynamically adaptive grid. The nonequilibrium gas model and the numerical method used in the calculations are briefly described.

Gokcen, Tahir↗
NASA NTRS1992

Finite-difference algorithms for the time-domain Maxwell's equations - A numerical approach to RCS analysis

The applications of two CFD-based finite-difference methods to computational electromagnetics are investigated. In the first method, the time-domain Maxwell's equations are solved using the explicit Lax-Wendroff scheme and in the second method, the second-order wave equations satisfying the Maxwell's equations are solved using the implicit Crank-Nicolson scheme. The governing equations are transformed to a generalized curvilinear coordinate system and solved on a body-conforming mesh using the scattered-field formulation. The induced surface current and the bistatic radar cross section are computed and the results are validated for several two-dimensional test cases involving perfectly-conducting scatterers submerged in transverse-magnetic plane waves.

Vinh, Hoang↗
NASA NTRS1991

Computation of thermochemical nonequilibrium flows around a simple and a double ellipse

The nonequilibrium viscous reactive flows over a simple and a double ellipse at a 30 degree angle of attack were computed. The geometry and the free stream conditions are given by INRIA/GAMNI/SMAI workshop test cases 6.2-2 and 6.2-4. The governing Navier-Stokes equations coupled with thermochemical nonequilibrium processes are solved numerically using a fully coupled, implicit, finite volume technique with a dynamically adaptive grid. The nonequilibrium gas model and the numerical method used in the calculations are briefly described.

Gokcen, Tahir↗
NASA NTRS1993

Efficient simulation of incompressible viscous flow over multi-element airfoils

The incompressible, viscous, turbulent flow over single and multi-element airfoils is numerically simulated in an efficient manner by solving the incompressible Navier-Stokes equations. The solution algorithm employs the method of pseudo compressibility and utilizes an upwind differencing scheme for the convective fluxes, and an implicit line-relaxation scheme. The motivation for this work includes interest in studying high-lift take-off and landing configurations of various aircraft. In particular, accurate computation of lift and drag at various angles of attack up to stall is desired. Two different turbulence models are tested in computing the flow over an NACA 4412 airfoil; an accurate prediction of stall is obtained. The approach used for multi-element airfoils involves the use of multiple zones of structured grids fitted to each element. Two different approaches are compared; a patched system of grids, and an overlaid Chimera system of grids. Computational results are presented for two-element, three-element, and four-element airfoil configurations. Excellent agreement with experimental surface pressure coefficients is seen. The code converges in less than 200 iterations, requiring on the order of one minute of CPU time on a CRAY YMP per element in the airfoil configuration.

Rogers, Stuart E.↗
DOE OSTI2025

Moment-based adaptive time integration for thermal radiation transport

Here, in this paper we develop a framework for moment-based adaptive time integration of deterministic multifrequency thermal radiation transpot (TRT). We generalize our recent semi-implicit-explicit (IMEX) integration framework for gray TRT to multifrequency TRT, and also introduce a semi-implicit variation that facilitates higher-order integration of TRT, where each stage is implicit in all components except opacities. To appeal to the broad literature on adaptivity with Runge–Kutta methods, we derive new embedded methods for four asymptotic preserving IMEX Runge–Kutta schemes we have found to be robust in our previous work on TRT and radiation hydrodynamics. We then use a moment-based high-order-low-order representation of the transport equations. Due to the high dimensionality, memory is always a concern in simulating TRT. We form error estimates and adaptivity in time purely based on temperature and radiation energy, for a trivial overhead in computational cost and memory usage compared with the base second order integrators. We then test the adaptivity in time on the tophat and Larsen problem, demonstrating the ability of the adaptive algorithm to naturally vary the timestep across 4–5 orders of magnitude, ranging from the dynamical timescales of the streaming regime to the thick diffusion limit.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2002

Multigrid Solution of the Navier-Stokes Equations at Low Speeds with Large Temperature Variations

Multigrid methods for the Navier-Stokes equations at low speeds and large temperature variations are investigated. The compressible equations with time-derivative preconditioning and preconditioned flux-difference splitting of the inviscid terms are used. Three implicit smoothers have been incorporated into a common multigrid procedure. Both full coarsening and semi-coarsening with directional fine-grid defect correction have been studied. The resulting methods have been tested on four 2D laminar problems over a range of Reynolds numbers on both uniform and highly stretched grids. Two of the three methods show efficient and robust performance over the entire range of conditions. In addition none of the methods have any difficulty with the large temperature variations.

Sockol, Peter M.↗
NASA NTRS1978

Some calculations of transonic potential flow for the NACA 64A006 airfoil with oscillating flap

A method for calculating the transonic flow over steady and oscillating airfoils was developed by Isogai. It solves the full potential equation with a semi-implicit, time-marching, finite difference technique. Steady flow solutions are obtained from time asymptotic solutions for a steady airfoil. Corresponding oscillatory solutions are obtained by initiating an oscillation and marching in time for several cycles until a converged periodic solution is achieved. In this paper the method is described in general terms, and results are compared with experimental data for both steady flow and for oscillations at several values of reduced frequency. Good agreement for static pressures is shown for subcritical speeds, with increasing deviation as Mach number is increased into the supercritical speed range. Fair agreement with experiment was obtained at high reduced frequencies with larger deviations at low reduced frequencies.

Bennett, R. M.↗
DOE OSTI2022

An in-line burn-up algorithm: proposal and preliminary analysis

A new burn-up algorithm is proposed for coupling neutronics and isotopic depletion. The algorithm is analogous to those proposed for enforcing xenon equilibrium and converging neutronics and thermal-hydraulics. During the corrector step of standard predictor-corrector methods, the corrector nuclide density is updated as neutronics converges. This is expected to improve stability while reducing computational expense compared to other implicit algorithms. The stability of the algorithm is investigated by Fourier analysis for a simple case whose results have been successfully compared with numerical experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗