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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

CFD prediction of the reacting flow field inside a subscale scramjet combustor

A three-dimensional, Reynolds-averaged Navier-Stokes CFD code has been used to calculate the reacting flowfield inside a hydrogen-fueled, subscale scramjet combustor. Pilot fuel was injected transversely upstream of the combustor and the primary fuel was injected transversely downstream of a backward facing step. A finite rate combustion model with two-step kinetics was used. The CFD code used the explicit MacCormack algorithm with point-implicit treatment of the chemistry source terms. Turbulent mixing of the jets with the airstream was simulated by a simple mixing length scheme, whereas near wall turbulence was accounted for by the Baldwin-Lomax model. Computed results were compared with experimental wall pressure measurements.

Chitsomboon, T.↗
NASA NTRS1990

Formulation of boundary conditions for the multigrid acceleration of the Euler and Navier Stokes equations

An explicit, Multigrid algorithm was written to solve the Euler and Navier-Stokes equations with special consideration given to the coarse mesh boundary conditions. These are formulated in a manner consistent with the interior solution, utilizing forcing terms to prevent coarse-mesh truncation error from affecting the fine-mesh solution. A 4-Stage Hybrid Runge-Kutta Scheme is used to advance the solution in time, and Multigrid convergence is further enhanced by using local time-stepping and implicit residual smoothing. Details of the algorithm are presented along with a description of Jameson's standard Multigrid method and a new approach to formulating the Multigrid equations.

Jentink, Thomas Neil↗
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↗
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↗
NASA NTRS2019

An Initial Exploration of Improved Numerics within the Guidelines of the Negative Spalart-Allmaras Turbulence Model

A simple modification to the negative Spalart-Allmaras turbulence model is suggested so that when the turbulence working variable, ~v, is negative, diagonal dominance is increased, as is the tendency for the time-advancement scheme to push e toward positive values. Owing to the fact that the modification is only active when ~v is less than zero, the physical model is left unchanged. Using the proposed modification with a strong implicit solver based on Newton's method, convergence rates can be somewhat improved, with typical reductions in iterations and computer time on the order of 15-50%. The benefits are realized primarily when second- or higher-order accuracy is used for discretizing the convective terms in the turbulence model because of large overshoots that can occur with these schemes at the edges of boundary layers and wakes. For flowfields with few regions of negative ~v, or on very fine meshes where ~v is always greater than zero, little or no benefits should be expected.

Anderson, William K.↗
NASA NTRS1980

A rapid implicit-explicit solution to the two-dimensional time dependent incompressible Navier-Stokes equations

A second-order time-accurate and spatially factored algorithm was used in a finite difference scheme for the numerical solution of the time-dependent, incompressible, two dimensional Navier-Stokes equations in conservation-law form using vorticity and stream function variables. The systems of equations are solved at each time step by an iterative technique. Numerical results were obtained for a circular cylinder at a Reynolds number of 15, and an NACA 0012 airfoil at zero angle of attack at Reynolds numbers of 10 to the third and 10 to the fourth powers. The results are in agreement with another numerical technique, and the computing time required to obtain the steady state solution at the Reynolds number of 10 to the 4th power was 49.7 sec on CDC 7600 computer using a 65 x 84 computational grind.

Davis, J. E.↗
DOE OSTI2014

Iterative derivation of effective potentials to sample the conformational space of proteins at atomistic scale

The current capacity of computers makes it possible to perform simulations of small systems with portable, explicit-solvent potentials achieving high degree of accuracy. However, simplified models must be employed to exploit the behavior of large systems or to perform systematic scans of smaller systems. While powerful algorithms are available to facilitate the sampling of the conformational space, successful applications of such models are hindered by the availability of simple enough potentials able to satisfactorily reproduce known properties of the system. We develop an interatomic potential to account for a number of properties of proteins in a computationally economic way. The potential is defined within an all-atom, implicit solvent model by contact functions between the different atom types. The associated numerical values can be optimized by an iterative Monte Carlo scheme on any available experimental data, provided that they are expressible as thermal averages of some conformational properties. We test this model on three different proteins, for which we also perform a scan of all possible point mutations with explicit conformational sampling. The resulting models, optimized solely on a subset of native distances, not only reproduce the native conformations within a few Angstroms from the experimental ones, but show the cooperative transition between native and denatured state and correctly predict the measured free-energy changes associated with point mutations. Moreover, differently from other structure-based models, our method leaves a residual degree of frustration, which is known to be present in protein molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

A NUMERICAL TREATMENT OF ANISOTROPIC RADIATION FIELDS COUPLED WITH RELATIVISTIC RESISTIVE MAGNETOFLUIDS

We develop a numerical scheme for solving fully special relativistic, resistive radiation magnetohydrodynamics. Our code guarantees conservation of total mass, momentum, and energy. The radiation energy density and the radiation flux are consistently updated using the M-1 closure method, which can resolve an anisotropic radiation field, in contrast to the Eddington approximation, as well as the flux-limited diffusion approximation. For the resistive part, we adopt a simple form of Ohm's law. The advection terms are explicitly solved with an approximate Riemann solver, mainly the Harten-Lax-van Leer scheme; the HLLC and HLLD schemes are also solved for some tests. The source terms, which describe the gas-radiation interaction and the magnetic energy dissipation, are implicitly integrated, relaxing the Courant-Friedrichs-Lewy condition even in an optically thick regime or a large magnetic Reynolds number regime. Although we need to invert 4 Multiplication-Sign 4 matrices (for the gas-radiation interaction) and 3 Multiplication-Sign 3 matrices (for the magnetic energy dissipation) at each grid point for implicit integration, they are obtained analytically without preventing massive parallel computing. We show that our code gives reasonable outcomes in numerical tests for ideal magnetohydrodynamics, propagating radiation, and radiation hydrodynamics. We also applied our resistive code to the relativistic Petschek-type magnetic reconnection, revealing the reduction of the reconnection rate via radiation drag.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Improving ADAM through an implicit-explicit (IMEX) time-stepping approach

The ADAM optimizer, often used in machine learning for neural network training, corresponds to an underlying ordinary differential equation (ODE) in the limit of very small learning rates. Here, this work shows that the classical ADAM algorithm is a first-order implicit-explicit (IMEX) Euler discretization of the underlying ODE. Employing the time discretization point of view, we propose new extensions of the ADAM scheme obtained by using higher-order IMEX methods to solve the ODE. Based on this approach, we derive a new optimization algorithm for neural network training that performs better than classical ADAM on several regression and classification problems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Streamline-upwind/Petrov-Galerkin procedures for the vorticity-stream function form of the Navier-Stokes equations

The paper presents procedures for the solution of the Navier-Stokes equations in the vorticity-stream function form. The difficulties involved are related to the convection term in the vorticity transport equation and to the lack of boundary conditions for voritcity at no-slip surfaces. The use of a streamline-upwind/Petrov-Galerkin finite element formulation for the solution of the vorticity transport equation. In the present scheme, the weighting functions are dependent on both spatial and temporal discretizations. A proper numerical treatment of the boundary conditions leading to an implicit treatment of the vorticity at no-slip surfaces is presented. These procedures have successfully been employed to simulate various flows of engineering interest.

Tezduyar, T. E.↗
NASA NTRS1992

Investigation of forced unsteady separated flows using velocity-vorticity form of Navier-Stokes equations

The phenomenon of forced unsteady separation and eruption of boundary-layer vorticity is a highly-complex, high-Reynolds number flow phenomenon, which abruptly leads to the formation of a dynamic stall vortex as demonstrated earlier by the authors for a NACA 0015 airfoil undergoing constant rate pitch-up motion. This, as well as the results of other researchers, have convincingly demonstrated a complex vortical structure within the state of unsteady separation prior to the evolution of dynamic stall. This phenomenon of vortex eruption, although observed in studying dynamic stall phenomena, is also associated with transition from laminar to turbulence flow and its generic nature has been stressed by many researchers including the present investigators. An unsteady Navier-Stokes (NS) analysis is developed for arbitrarily maneuvering bodies using velocity-vorticity variables; this formulation is nearly form-invariant under a generalized non-inertial coordinate transformation. A fully-implicit uniformly second-order accurate method is used, with the nonlinear convective terms approximated using a biased third-order upwind differencing scheme to be able to simulate higher-Re flows. No explicit artificial dissipation is added. The numerical method is fully vectorized and currently achieves a computational index of 7 micro-seconds per time step per mesh point, using a single processor on a CRAY Y-MP. The simulation results show that the energetic free shear from the leading edge is responsible for the wall viscous layer to abruptly erupt near the center of the counterclockwise rotating eddy in the unsteady boundary layer. Primary, secondary, tertiary and quaternary vortices have been observed before the dynamic stall vortex evolves and gathers its maximum strength. This study will discuss the simulation results of Reynolds number up to Re = 45,000 and will also discuss the efforts of initial acceleration in a specific maneuver, on the evolution of the stall vortex.

Ghia, K. N.↗
NASA NTRS1990

A comparison of two central difference schemes for solving the Navier-Stokes equations

Five viscous transonic airfoil cases were computed by two significantly different computational fluid dynamics codes: An explicit finite-volume algorithm with multigrid, and an implicit finite-difference approximate-factorization method with Eigenvector diagonalization. Both methods are described in detail, and their performance on the test cases is compared. The codes utilized the same grids, turbulence model, and computer to provide the truest test of the algorithms. The two approaches produce very similar results, which, for attached flows, also agree well with experimental results; however, the explicit code is considerably faster.

Maksymiuk, C. M.↗
DOE OSTI2012

A 2-D Implicit, Energy and Charge Conserving Particle In Cell Method

Recently, a fully implicit electrostatic 1D charge- and energy-conserving particle-in-cell algorithm was proposed and implemented by Chen et al ([2],[3]). Central to the algorithm is an advanced particle pusher. Particles are moved using an energy conserving scheme and are forced to stop at cell faces to conserve charge. Moreover, a time estimator is used to control errors in momentum. Here we implement and extend this advanced particle pusher to include 2D and electromagnetic fields. Derivations of all modifications made are presented in full. Special consideration is taken to ensure easy coupling into the implicit moment based method proposed by Taitano et al [19]. Focus is then given to optimizing the presented particle pusher on emerging architectures. Two multicore implementations, and one GPU (Graphics Processing Unit) implementation are discussed and analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A fully-implicit high-order system thermal-hydraulics model for advanced non-LWR safety analyses

An advanced system analysis tool is being developed for advanced reactor safety analysis. This paper describes the underlying physics and numerical models used in the code, including the governing equations, the stabilization schemes, the high-order spatial and temporal discretization schemes, and the Jacobian Free Newton Krylov solution method. The effects of the spatial and temporal discretization schemes are investigated. Additionally, a series of verification test problems are presented to confirm the high-order schemes. Furthermore, it is demonstrated that the developed system thermal-hydraulics model can be strictly verified with the theoretical convergence rates, and that it performs very well for a wide range of flow problems with high accuracy, efficiency, and minimal numerical diffusions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2013

GEOS Code Development Road Map

GEOS is a massively parallel computational framework designed to enable HPC-based simulations of subsurface reservoir stimulation activities with the goal of optimizing current operations and evaluating innovative stimulation methods. GEOS will enable coupling of different solvers associated with the various physical processes occurring during reservoir stimulation in unique and sophisticated ways, adapted to various geologic settings, materials and stimulation methods. The overall architecture of the framework includes consistent data structures and will allow incorporation of additional physical and materials models as demanded by future applications. Along with predicting the initiation, propagation and reactivation of fractures, GEOS will also generate a seismic source term that can be linked with seismic wave propagation codes to generate synthetic microseismicity at surface and downhole arrays. Similarly, the output from GEOS can be linked with existing fluid/thermal transport codes. GEOS can also be linked with existing, non-intrusive uncertainty quantification schemes to constrain uncertainty in its predictions and sensitivity to the various parameters describing the reservoir and stimulation operations. We anticipate that an implicit-explicit 3D version of GEOS, including a preliminary seismic source model, will be available for parametric testing and validation against experimental and field data by Oct. 1, 2013.

02 PETROLEUM↗
DOE OSTI2022

Expedited Real Time Processing for the NETL HYPER Cyber-Physical System (Final Report)

The primary objective of the proposed project was to provide the National Energy Technology Laboratory’s Hybrid Performance (Hyper) Facility the needed numerical methods algorithm(s), software development and implementation support to enact real time cyber-physical systems (CPSs) that simulate process dynamics on the order of five milliseconds or smaller. The proposed paths forward comprised three distinct approaches to hasten transient simulations. They fell under the numerical methods categorical options of: 1) optimizing key parameters within the facility’s pre-existing real time processing scheme; 2) introducing an “informed” processing approach wherein a priori computations expedite real time attempts; and 3) implementing alternatives to the employed explicit-implicit blended finite difference (spatio-temporal) approach. Each of these three classes were proposed independently as options for improvement, yet in some cases one class of approach could have complemented another.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1983

Induced mass and wave motions in the lower solar atmosphere. I - Effects of shear motion of flux tubes

Observations indicate that various dynamic solar phenomena lead to enhanced emission of electromagnetic waves from radio to X-ray wavelengths which can be traced to magnetic activity in the photospheric level. A number of previous investigations have ignored the dynamic responses in the solar atmosphere. On the other hand, Nakagawa et al. (1978, 1981) have studied the atmospheric responses in the frame of MHD in the supersonic super-Alfvenic region. Studies of the slowly varying dynamic response (subsonic) have been unsuccessful because of the requirements of high accuracy in the numerical scheme in which a rigorous mathematical treatment of the boundary conditions is necessary. Recently, a numerical MHD model was constructed by using the full implicit continuous eulerian method. The present investigation makes use of a method which is written in a more convenient numerical code. A two-dimensional, time-dependent, nonplanar MHD model is used to investigate the induced mass and wave motions in the lower solar atmosphere due to the shear motion of flux tubes.

Wu, S. T.↗
NASA NTRS1989

Parabolized Navier-Stokes algorithm for chemically reacting flows

A second-order parabolized Navier-Stokes algorithm based on the MacCormack (1969) explicit scheme is used to study three-dimensional chemically reacting flows with finite-rate chemistry. The method can treat the chemical source term implicitly, and it accounts for the multicomponent diffusion and convection of the chemical species. The method is demonstrated with the nonreacting case of a Mach-3 flow over a double-wedge compression corner and the case of streamwise hydrogen injection at sonic velocity in a Mach-2.44 vitiated air stream.

Kamath, H.↗